Results for:
Species: Lentinula edodes

Signature

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Mass-Spectra

Compound Details

Synonymous names

Cianidanol

(+)-catechin

CATECHIN

154-23-4

Catechuic acid

Catechinic acid

Cyanidanol

D-Catechin

Catergen

Cianidol

(+)-Catechol

(+)-Cyanidanol

Biocatechin

(+)-Cyanidan-3-ol

D-Catechol

D-(+)-Catechin

Dexcyanidanol

Catechin (flavan)

Catechol (flavan)

(+)-Catechin Hydrate

(2R,3S)-Catechin

(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol

3-Cyanidanol, (+)-

Cianidanolum

Transepar

(2R,3S)-(+)-Catechin

DL-Catechin

dl-Catechol

(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol

CCRIS 6855

7295-85-4

Catechin, d-

(+)-Cianidanol

3,3',4',5,7-Flavanpentol

KB-53

(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol

NSC 2819

NSC-2819

2,3-trans-catechin

(+)-Cyanidanol-3

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

2,3-Dihydro-4-desoxoquercetin

CHEBI:15600

2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-

Cianidanolum [INN-Latin]

AI3-22757

EINECS 205-825-1

(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol

UNII-8R1V1STN48

Catechol (+)

(+/-)-Catechin

8R1V1STN48

NSC2819

(2R,3S)-3,3',4',5,7-Flavanpentol

CATECHIN, D

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

2H-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-

Catechu

(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CHEMBL311498

DTXSID3022322

(+)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol

MFCD00075649

5J4Y243W61

100786-01-4

Gambier

Katha

trans-(+)-3,3',4',5,7-Flavanpentol

Zyma

Cianidanolum (INN-Latin)

Cyanidanol-3

CIANIDANOL (MART.)

CIANIDANOL [MART.]

(+)-Cyanidol-3

Cutch (dye)

(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol

(+)-CATECHIN (USP-RS)

(+)-CATECHIN [USP-RS]

Catechin-(+,-) hydrate

Epicatechin-(-)

Catechin (hydrate)

Cianidanol [INN:JAN]

MLS001056745

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol

Catechine dl-form

(+-)-catechin

(+/-)-catechol

KB 53

SR-01000075742

SMR000326724

Catechinate

Catechuate

Drenoliver

rac-catechin

Tanningenic acid

DL-Catechine

UNII-5J4Y243W61

(+)-Catechin;Cianidanol;Catechuic acid

Z 7300

Teafuran 30A

KXN

Prestwick_998

Sunkatol No. 1

EINECS 230-731-2

Slim 2

2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol

RACEMIC CATECHIN

Spectrum_000395

(+)-Catechin,(S)

2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol #

CATECHIN [MI]

CATECHIN, DL-

CATECHIN [VANDF]

CIANIDANOL [INN]

CIANIDANOL [JAN]

Prestwick0_000642

Prestwick0_000817

Prestwick1_000642

Prestwick1_000817

Prestwick2_000642

Prestwick2_000817

Prestwick3_000642

Spectrum2_000167

Spectrum3_000242

Spectrum4_001763

Spectrum5_000345

Epitope ID:116872

(+/-)-Catechin xHydrate

CIANIDANOL [WHO-DD]

Lopac0_000219

SCHEMBL19741

BSPBio_000643

BSPBio_001624

KBioGR_002245

KBioSS_000875

8001-48-7

154-23-4 , anhydride

BIDD:ER0378

DivK1c_000647

SPBio_000033

SPBio_002564

SPBio_002634

CATECHIN DL-FORM [MI]

BPBio1_000709

cid_107957

DTXCID202322

(3S,2R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol

CATECHOL, (+/-)-

ACon1_001489

BDBM23416

BDBM60836

CIANIDANOL, (+/-)-

GTPL13091

HMS502A09

KBio1_000647

KBio2_000875

KBio2_003443

KBio2_006011

KBio3_001124

YK-85 Light Yellow Powder 85

4c94

NINDS_000647

DTXSID001349029

HMS1570A05

HMS1570D15

HMS2097A05

HMS3260L19

Pharmakon1600-00210205

(+)-Catechin, analytical standard

HY-N0898

TNP00270

Tox21_500219

CCG-40007

LMPK12020001

NSC755824

s3974

s4722

STL570276

trans3,3,4,5,7 pentahydroxyflavane

AKOS015960546

trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

CS-3759

DB14086

LP00219

MCULE-1532117250

ND-0342

NSC-755824

SDCCGMLS-0066526.P001

SDCCGSBI-0050207.P004

IDI1_000647

NCGC00017331-01

NCGC00017331-02

NCGC00017331-03

NCGC00017331-04

NCGC00017331-05

NCGC00017331-19

NCGC00093689-01

NCGC00093689-02

NCGC00093689-03

NCGC00260904-01

AC-11608

AC-35859

AS-72772

NCI60_002303

(+)-Catechin 1000 microg/mL in Acetone

SBI-0050207.P003

1ST000259

EU-0100219

NS00004541

( inverted exclamation markA)-Catechin hydrate

(+)-Catechin 1000 microg/mL in Acetonitrile

C 1251

C06562

D95105

H10916

AB00051886_13

EN300-6498629

(+/-)-Catechin 1000 microg/mL in Acetonitrile

A809512

A878497

NATURAL BROWN 3 (CUTCH EXTRA OR GAMBIER)

Q415007

(+)-CATECHIN (CONSTITUENT OF MARITIME PINE)

Q-100183

SR-01000075742-1

SR-01000075742-7

SR-01000075742-8

SR-01000075742-9

BRD-K58736316-001-07-9

BRD-K58736316-001-08-7

SR-01000075742-10

SR-01000075742-12

SR-01000075742-14

(+)-CATECHIN (CONSTITUENT OF MARITIME PINE) [DSC]

D4A04A57-7609-451F-A446-53F4DFAD15F5

(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol;hydrate

(+)-Catechin, United States Pharmacopeia (USP) Reference Standard

(+)-CATECHIN (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS)

(+)-CATECHIN (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT)

(+)-Catechin, Pharmaceutical Secondary Standard; Certified Reference Material

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;hydrate

(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate

(2R-trans)-2-(3,4-Dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol

2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans)

2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-

2H-1-BENZOPYRAN-3,5,7-TRIOL, 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, (2S,3R)-REL-

321-01-7

InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s

Microorganism:

IUPAC name

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

SMILES

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

Inchi

InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1

Formula

C₁₅H₁₄O₆

PubChem ID

9064

Molweight

290.27

LogP

0.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids flavonoids aromatic compounds phenols diols ethers flavonols

CHEBI-ID

15600

Supernatural-ID

SN0284216-02

mVOC Specific Details

MS-Links

MS-MS Spectrum 179498

MS-MS Spectrum 5796 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative

MS-MS Spectrum 2129 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179497

MS-MS Spectrum 5795 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive

MS-MS Spectrum 179496

MS-MS Spectrum 201474

MS-MS Spectrum 201477

MS-MS Spectrum 226450

MS-MS Spectrum 201476

MS-MS Spectrum 181824

MS-MS Spectrum 201473

MS-MS Spectrum 181825

MS-MS Spectrum 201478

MS-MS Spectrum 201471

MS-MS Spectrum 2128 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 201472

MS-MS Spectrum 226448

MS-MS Spectrum 226447

MS-MS Spectrum 201475

MS-MS Spectrum 181826

MS-MS Spectrum 226451

MS-MS Spectrum 226449

MS-MS Spectrum 2130 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 226446

Massbank-Links

Massbank Spectrum MSBNK-BGC_Munich-RP017801

Massbank Spectrum MSBNK-BGC_Munich-RP017802

Massbank Spectrum MSBNK-BGC_Munich-RP017803

Massbank Spectrum MSBNK-BGC_Munich-RP017811

Massbank Spectrum MSBNK-BGC_Munich-RP017812

Massbank Spectrum MSBNK-BGC_Munich-RP017813

Massbank Spectrum MSBNK-BS-BS003013

Massbank Spectrum MSBNK-BS-BS003014

Massbank Spectrum MSBNK-BS-BS003015

Massbank Spectrum MSBNK-BS-BS003016

Massbank Spectrum MSBNK-IPB_Halle-PB001329

Massbank Spectrum MSBNK-IPB_Halle-PB001330

Massbank Spectrum MSBNK-IPB_Halle-PB001331

Massbank Spectrum MSBNK-IPB_Halle-PB001332

Massbank Spectrum MSBNK-IPB_Halle-PB002429

Massbank Spectrum MSBNK-IPB_Halle-PB002430

Massbank Spectrum MSBNK-IPB_Halle-PB002431

Massbank Spectrum MSBNK-IPB_Halle-PB002432

Massbank Spectrum MSBNK-RIKEN_ReSpect-PM000403

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045501

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045502

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045503

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045504

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045507

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS045508

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT104550

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT204550

Massbank Spectrum MSBNK-RIKEN-PR100262

Massbank Spectrum MSBNK-RIKEN-PR100687

Massbank Spectrum MSBNK-RIKEN-PR302549

Massbank Spectrum MSBNK-RIKEN-PR302555

Massbank Spectrum MSBNK-RIKEN-PR302561

Massbank Spectrum MSBNK-RIKEN-PR302567

Massbank Spectrum MSBNK-RIKEN-PR302573

Massbank Spectrum MSBNK-RIKEN-PR302579

Massbank Spectrum MSBNK-RIKEN-PR302585

Massbank Spectrum MSBNK-RIKEN-PR302591

Massbank Spectrum MSBNK-RIKEN-PR302597

Massbank Spectrum MSBNK-RIKEN-PR302603

Massbank Spectrum MSBNK-RIKEN-PR302609

Massbank Spectrum MSBNK-RIKEN-PR302615

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Lentinus Edodes	na	Korea	Kim et al. 2008
Eukaryota	Agaricus Blazei	na	Korea	Kim et al. 2008
Eukaryota	Ganoderma Lucidum	na	Korea	Kim et al. 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Lentinus Edodes	na	HPLC	yes
Eukaryota	Agaricus Blazei	na	HPLC	yes
Eukaryota	Ganoderma Lucidum	na	HPLC	yes

Benzaldehyde

Mass-Spectra

Compound Details

Synonymous names

benzaldehyde

100-52-7

Benzoic aldehyde

Phenylmethanal

Benzenecarboxaldehyde

Benzenecarbonal

Benzenemethylal

Benzaldehyde FFC

Benzene carbaldehyde

Benzene carboxaldehyde

benzanoaldehyde

Benzylaldehyde

Benzoyl hydride

NCI-C56133

Benzoic acid aldehyde

FEMA No. 2127

Caswell No. 076

Phenylformaldehyde

Benzaldehyde (natural)

NSC 7917

Benzadehyde

Benzyaldehyde

CCRIS 2376

HSDB 388

NSC-7917

EINECS 202-860-4

UNII-TA269SD04T

Benzaldehyde-carbonyl-13C

Benzaldehyde [NF]

EPA Pesticide Chemical Code 008601

Benzaldehyde-formyl-d

TA269SD04T

Benzaldehyde-alpha-d1

DTXSID8039241

CHEBI:17169

AI3-09931

MFCD00003299

8013-76-1

Benzaldehyde, methyl-

CHEMBL15972

DTXCID90134

NSC7917

EC 202-860-4

Phenylmethanal benzenecarboxaldehyde

Benzaldehyde (NF)

NCGC00091819-01

NCGC00091819-02

BENZALDEHYDE (II)

BENZALDEHYDE [II]

BENZALDEHYDE (MART.)

BENZALDEHYDE [MART.]

benzaldehyd

Benzaldhyde

BENZALDEHYDE (USP IMPURITY)

BENZALDEHYDE [USP IMPURITY]

BDBM50139371

CAS-100-52-7

FENTANYL IMPURITY E (EP IMPURITY)

FENTANYL IMPURITY E [EP IMPURITY]

TRIBENOSIDE IMPURITY C (EP IMPURITY)

TRIBENOSIDE IMPURITY C [EP IMPURITY]

BENZYL ALCOHOL IMPURITY A (EP IMPURITY)

BENZYL ALCOHOL IMPURITY A [EP IMPURITY]

FENTANYL CITRATE IMPURITY E (EP IMPURITY)

FENTANYL CITRATE IMPURITY E [EP IMPURITY]

AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)

AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]

UN1990

BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)

BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]

GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)

GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]

HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]

benzaidehyde

benzaldehvde

benzaldehye

benzaldeyde

BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)

BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]

C7H6O

phenyl-methanone

Benzene methylal

Aromatic aldehyde

Benzoylwasserstoff

(phenyl)methanone

benzenecarbaldehyde

Benzaldehyde,(S)

PhCHO

Benzene carcaboxaldehyde

2vj1

WLN: VHR

BENZALDEHYDE [MI]

SCHEMBL573

BENZALDEHYDE [FCC]

BENZALDEHYDE [FHFI]

BENZALDEHYDE [HSDB]

BENZALDEHYDE [INCI]

BENZALDEHYDE [VANDF]

ghl.PD_Mitscher_leg0.170

BENZALDEHYDE [USP-RS]

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

BIDD:ER0249

BDBM60953

Benzaldehyde, analytical standard

Ald3-H_000012

Benzaldehyde, >=98%, FG, FCC

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

Tox21_113069

Tox21_113244

Tox21_200634

s5574

STL194067

Benzaldehyde, for synthesis, 95.0%

AKOS000119172

Benzaldehyde [UN1990] [Class 9]

CCG-266041

MCULE-7744113682

NA 1989

Benzaldehyde, purum, >=98.0% (GC)

Benzaldehyde, ReagentPlus(R), >=99%

NCGC00091819-03

NCGC00258188-01

PS-11959

Benzaldehyde, natural, >=98%, FCC, FG

DB-023673

B2379

Benzaldehyde, SAJ special grade, >=98.0%

NS00008510

Benzaldehyde, Vetec(TM) reagent grade, 98%

Benzaldehyde 1000 microg/mL in Dichloromethane

Benzaldehyde 2000 microg/mL in Dichloromethane

Benzaldehyde, puriss. p.a., >=99.0% (GC)

C00193

C00261

D02314

A800226

Q372524

SR-01000944375

Benzaldehyde, purified by redistillation, >=99.5%

SR-01000944375-1

F1294-0144

Flavor and Extract Manufacturers' Association No. 2127

InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material

Microorganism:

Yes

IUPAC name

benzaldehyde

SMILES

C1=CC=C(C=C1)C=O

Inchi

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

Formula

C₇H₆O

PubChem ID

240

Molweight

106.12

LogP

1.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aldehydes aromatic compounds aromatic aldehydes benzaldehydes

CHEBI-ID

17169

Supernatural-ID

SN0135798

mVOC Specific Details

Boiling Point

Degree	Reference
178.7 °C peer reviewed

Volatilization

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1.5 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
1.27 mm Hg at 25 deg C	Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

MS-Links

MS-MS Spectrum 2473 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2472 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 20462

MS-MS Spectrum 2474 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6103 - EI-B (HITACHI M-68) Positive

MS-MS Spectrum 226368

MS-MS Spectrum 6102 - EI-B (JEOL JMS-01-SG-2) Positive

MS-MS Spectrum 6104 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 20464

MS-MS Spectrum 6105 - EI-B (HP 5970) Positive

1D-NMR-Links

1D NMR Spectrum 2036 - Bruker 600 MHz 1H NMR

1D NMR Spectrum 4018

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003416

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003547

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004667

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008775

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS000801

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Streptococcus Pneumoniae	NA	NA	Mellors et al. 2018
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Eukaryota	Agaricus Essettei		NA	Rapior et al. 2002
Eukaryota	Candida Albicans		NA	Karami et al. 2017
Prokaryota	Escherichia Coli		NA	Karami et al. 2017
Prokaryota	Staphylococcus Aureus		NA	Karami et al. 2017
Prokaryota	Bacillus Subtilis		NA	Gao et al. 2018
Eukaryota	Fusarium Culmorum		NA	Schmidt et al. 2018
Eukaryota	Hypoxylon Invadens		NA	Dickschat et al. 2018
Eukaryota	Fusarium Acuminatum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Fusarium Oxysporum		roots of two species of the Brassicaceae family Microthlaspi perfoliatum and Microthlaspi erraticum	Schenkel et al. 2018
Eukaryota	Polyporus Tuberaster		NA	Kawabe et al. 1994
Prokaryota	Bacillus Subtilis	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Fluorescens	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Bacillus Amyloliquefaciens		commercial strain	Heenan-Daly et al. 2021
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Paenibacillus Polymyxa	antifungal effects against Rhizopus stolonifer	isolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)	Wu et al. 2020
Prokaryota	Stenotrophomonas Maltophilia	antifungal activity against Colletotrichum nymphaeae	isolated from the healthy strawberry leaf in Kamyaran, Kurdistan province	Alijani et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 101	NA	Calvo et al. 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Prokaryota	Lactobacillus Plantarum	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Corrugata	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Aurantiaca	n/a	NA	Fernando et al. 2005
Prokaryota	Bacillus Sp.	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Stenotrophomonas Maltophilia	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Alcaligenes Faecalis	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Arthrobacter Nitroguajacolicus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Lysobacter Gummosus	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Sporosarcina Ginsengisoli	Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.	NA	Zou et al. 2007
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Octadecabacter Sp.	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Bjerkandera Adusta	n/a	NA	Lapadatescu et al. 2000
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Eukaryota	Ascocoryne Sarcoides	n/a	NA	Mallette et al. 2012
Eukaryota	Trichoderma Viride	n/a	NA	Wheatley et al. 1997
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Paenibacillus Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Bacillus Amyloliquefaciens		Agriculture University of Nanjing, China	Tahir et al. 2017
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Eukaryota	Pleurotus Ostreatus		NA	Beltran-Garcia et al. 1997
Eukaryota	Fomes Fomentarius		NA	Fäldt et al. 1999
Eukaryota	Penicillium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Fusarium Sp.		NA	Takeuchi et al. 2012
Eukaryota	Botrytis Sp.		NA	Kikuchi et al. 1983
Eukaryota	Aspergillus Sp.		NA	Takeuchi et al. 2012
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Pseudomonas Fluorescens	promotes volatile oil accumulation, activating plant defense	from geo-authentic Atractylodes lancea	Zhou et al. 2016
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Lactobacillus Helveticus	na	yoghurt	Pogačić et al. 2016
Prokaryota	Pedobacter Sp.	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Tsukamurella Sp.	na	na	Tyc et al. 2015
Prokaryota	Janthinobacterium Sp.	na	na	Tyc et al. 2015
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Streptococcus Pneumoniae		clinic	Preti et al. 2009
Prokaryota	Haemophilus Influenzae		clinic	Preti et al. 2009
Prokaryota	Branhamella Catarrhalis		clinic	Preti et al. 2009
Eukaryota	Bjerkandera Adusta		NA	Spinnler at al. 1994
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Indicum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Fructicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Saccharomyces Eubayanus	NA	NA	Urbina et al. 2020
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Saccharomycopsis Vini	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024
	Lactiplantibacillus Plantarum			Chen et al. 2023
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023
	Lactobacillus Plantarum			Ma et al. 2023
	Citrobacter Freundii			Tallon et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Saccharomyces Cerevisiae			Peng et al. 2023
	Staphylococcus Aureus			Wang et al. 2023
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Streptococcus Pneumoniae	Modified Lacks Media	SPME/GCxGC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Eukaryota	Agaricus Essettei		hydro-destillation, solvent extraction, GC-MS	no
Eukaryota	Candida Albicans	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Escherichia Coli	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller Hinton broth (MB), tryptic soy broth (TSB)	SPME, DVB/CAR/PDMS, GC-MS	no
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB) agar	HS / SPME / GC-MS	no
Eukaryota	Fusarium Culmorum	King`s B agar	UPLC-MS	no
Eukaryota	Hypoxylon Invadens	YMG medium	CSLA-GCMS	yes
Eukaryota	Fusarium Acuminatum	Malt extract	SPME, GC-MS	yes
Eukaryota	Fusarium Oxysporum	Malt extract	SPME, GC-MS	yes
Eukaryota	Polyporus Tuberaster	PGY	GC-MS	no
Prokaryota	Bacillus Subtilis	LB agar	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	LB agar	GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	TSB media	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Prokaryota	Stenotrophomonas Maltophilia	NA media	GC-MS	no
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Staphylococcus Epidermidis	MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pseudomonas Fluorescens	n/a	n/a	no
Prokaryota	Pseudomonas Corrugata	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	n/a	n/a	no
Prokaryota	Pseudomonas Aurantiaca	n/a	n/a	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Alcaligenes Faecalis	n/a	n/a	no
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	n/a	no
Prokaryota	Lysobacter Gummosus	n/a	n/a	no
Prokaryota	Sporosarcina Ginsengisoli	n/a	n/a	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Octadecabacter Sp.	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Bjerkandera Adusta	Minimal media plus glucose and L-phenylalanine	Extraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Eukaryota	Ascocoryne Sarcoides	Minimal medium	PTR-MS and SPME GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract	GC/MS	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Paenibacillus Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Bacillus Amyloliquefaciens	LB	SPME-GC-MS	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Eukaryota	Pleurotus Ostreatus			no
Eukaryota	Fomes Fomentarius			no
Eukaryota	Penicillium Sp.			no
Eukaryota	Fusarium Sp.			no
Eukaryota	Botrytis Sp.			no
Eukaryota	Aspergillus Sp.			no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Pseudomonas Fluorescens	MS rooting agar	GC/MS + comparison to NIST	no
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Lactobacillus Helveticus	curd-based broth medium	GC/MS	yes
Prokaryota	Pedobacter Sp.	sand containing artificial root exudates	GC/MS	no
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Tsukamurella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Janthinobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Haemophilus Influenzae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Branhamella Catarrhalis	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Bjerkandera Adusta			no
Eukaryota	Tuber Melanosporum	None	None	yes
Eukaryota	Tuber Indicum	None	None	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Fructicola	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Saccharomyces Eubayanus	beer wort	HS-SPME-GC-MS	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Saccharomycopsis Vini	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no
	Citrobacter Freundii	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

3,4,5-trihydroxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names

Gallic acid

3,4,5-Trihydroxybenzoic acid

149-91-7

gallate

Benzoic acid, 3,4,5-trihydroxy-

Gallic acid, tech.

Kyselina gallova

Pyrogallol-5-carboxylic acid

GALOP

HSDB 2117

CCRIS 5523

3,4,5-Trihydroxybenzoate

MFCD00002510

NSC 674319

CHEBI:30778

Kyselina 3,4,5-trihydroxybenzoova

AI3-16412

EINECS 205-749-9

NSC 20103

NSC-20103

NSC-674319

UNII-632XD903SP

BRN 2050274

DTXSID0020650

632XD903SP

NSC20103

3,4,5-Trihydroxybenzoic acid, anhydrous

DTXCID60650

CHEMBL288114

3,4,5-trihydroxy-Benzoic acid

3-10-00-02070 (Beilstein Handbook Reference)

NSC674319

NCGC00091125-01

GALLIC ACID ANHYDROUS

Kyselina gallova [Czech]

Acid, Gallic

CAS-149-91-7

Gallic acid [NF]

SR-05000001537

gallic-acid

Kyselina 3,4,5-trihydroxybenzoova [Czech]

Gallic acid tech.

Gallic Acid, F

GDE

Gallic Acid1520

Spectrum_000342

SpecPlus_000307

5-Trihydroxybenzoic acid

Spectrum2_000399

Spectrum3_000254

Spectrum4_001544

Spectrum5_000108

GALLIC ACID [MI]

bmse000389

3,5-Trihydroxybenzoic acid

GALLIC ACID [HSDB]

GALLIC ACID [INCI]

3,4,5-hydroxybenzoic acid

WLN: QVR CQ DQ EQ

3,4,5-trihydroxy-Benzoate

Oprea1_087792

SCHEMBL15012

3,4,5-Trihydroxybenzoicacid

BSPBio_001668

KBioGR_002008

KBioSS_000822

SPECTRUM210369

65271-60-5

BIDD:ER0374

DivK1c_006403

GALLIC ACID [WHO-DD]

SPBio_000617

3,4,5-Trihydroxybenzoate, X

Benzoic acid,4,5-trihydroxy-

GTPL5549

3,4,5-Trihydroxybenzoic acid;

KBio1_001347

KBio2_000822

KBio2_003390

KBio2_005958

KBio3_001168

CPD-183

DTXSID50420476

Gallic acid, puriss., 98.0%

1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo-

HMS1923K07

HMS2091A07

Pharmakon1600-00210369

BCP18127

HY-N0523

NSC36997

Tox21_111089

Tox21_202515

BBL009937

BDBM50085536

CCG-38670

NSC-36997

NSC755825

s4603

STK298718

AKOS000119625

Tox21_111089_1

AC-1206

CS-8191

MCULE-1552954312

NSC-755825

PS-8710

SDCCGMLS-0066503.P001

NCGC00091125-02

NCGC00091125-03

NCGC00091125-04

NCGC00091125-05

NCGC00091125-07

NCGC00091125-13

NCGC00260064-01

DA-33612

SY038078

SBI-0052184.P002

Gallic acid, 97.5-102.5% (titration)

G0011

NS00013682

EN300-21542

C01424

D85056

3,4,5-trihydroxybenzoic acid (ACD/Name 4.0)

AB00052697_03

Q375837

Q-201146

SR-05000001537-1

SR-05000001537-2

SR-05000001537-3

BRD-K77345217-001-01-9

F1908-0156

Gallic acid, certified reference material, TraceCERT(R)

Z104501122

78563C7D-0E2D-4766-A8EA-670A03C78FCF

GALLIC ACID (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS)

InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12

137657-43-3

Microorganism:

IUPAC name

3,4,5-trihydroxybenzoic acid

SMILES

C1=C(C=C(C(=C1O)O)O)C(=O)O

Inchi

InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)

Formula

C₇H₆O₅

PubChem ID

370

Molweight

170.12

LogP

0.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids acids phenols carboxylic acids aromatic compounds organic acids

CHEBI-ID

30778

Supernatural-ID

SN0210582

mVOC Specific Details

Boiling Point

Degree	Reference
501 median

Volatilization

The Henry's Law constant for gallic acid is estimated as 8.5X10-20 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that gallic acid will be essentially nonvolatile from water surfaces(2,SRC). Gallic acid's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected(SRC). Gallic acid is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 1.2X10-7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)

Soil Adsorption

The Koc of gallic acid is estimated as approximately 57(SRC), using a measured log Kow of 0.70(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that gallic acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Prof Ref Book. Washington, DC: American Chemical Society (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

MS-Links

MS-MS Spectrum 2455 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 181976

MS-MS Spectrum 179640

MS-MS Spectrum 6089 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 2456 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 201983

MS-MS Spectrum 6090 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 201984

MS-MS Spectrum 179641

MS-MS Spectrum 6087 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 6088 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 6091 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 6086 - EI-B (HITACHI M-52) Positive

MS-MS Spectrum 226367

MS-MS Spectrum 179642

MS-MS Spectrum 201985

MS-MS Spectrum 201981

MS-MS Spectrum 201982

MS-MS Spectrum 181974

MS-MS Spectrum 2454 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 181975

1D-NMR-Links

1D NMR Spectrum 2029 - Bruker 600 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007233

Massbank Spectrum MSBNK-Keio_Univ-KO000888

Massbank Spectrum MSBNK-Keio_Univ-KO000889

Massbank Spectrum MSBNK-Keio_Univ-KO000890

Massbank Spectrum MSBNK-Keio_Univ-KO000891

Massbank Spectrum MSBNK-Keio_Univ-KO000892

Massbank Spectrum MSBNK-Osaka_Univ-OUF00237

Massbank Spectrum MSBNK-RIKEN_ReSpect-PM000401

Massbank Spectrum MSBNK-RIKEN-PR304085

Massbank Spectrum MSBNK-RIKEN-PR304087

Massbank Spectrum MSBNK-RIKEN-PR304089

Massbank Spectrum MSBNK-RIKEN-PR304092

Massbank Spectrum MSBNK-RIKEN-PR304094

Massbank Spectrum MSBNK-RIKEN-PR304096

Massbank Spectrum MSBNK-RIKEN-PR304098

Massbank Spectrum MSBNK-RIKEN-PR304100

Massbank Spectrum MSBNK-RIKEN-PR304102

Massbank Spectrum MSBNK-RIKEN-PR304104

Massbank Spectrum MSBNK-RIKEN-PR304106

Massbank Spectrum MSBNK-RIKEN-PR308144

Massbank Spectrum MSBNK-RIKEN-PR308146

Massbank Spectrum MSBNK-RIKEN-PR308148

Massbank Spectrum MSBNK-RIKEN-PR308150

Massbank Spectrum MSBNK-RIKEN-PR308152

Massbank Spectrum MSBNK-RIKEN-PR308154

Massbank Spectrum MSBNK-RIKEN-PR308156

Massbank Spectrum MSBNK-RIKEN-PR308158

Massbank Spectrum MSBNK-RIKEN-PR308160

Massbank Spectrum MSBNK-RIKEN-PR308162

Massbank Spectrum MSBNK-RIKEN-PR308164

Massbank Spectrum MSBNK-RIKEN-PR308166

Massbank Spectrum MSBNK-RIKEN-PR309425

Massbank Spectrum MSBNK-RIKEN-PR310437

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Agaricus Bisporus	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Eryngii	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Ostreatus	na	Korea	Kim et al. 2008
Eukaryota	Agaricus Bisporus	na	Korea	Kim et al. 2008
Eukaryota	Flammulina Velutipes	na	Korea	Kim et al. 2008
Eukaryota	Lentinus Edodes	na	Korea	Kim et al. 2008
Eukaryota	Agaricus Blazei	na	Korea	Kim et al. 2008
Eukaryota	Sparassis Crispa	na	Korea	Kim et al. 2008
Eukaryota	Ganoderma Lucidum	na	Korea	Kim et al. 2008
Eukaryota	Phellinus Linteus	na	Korea	Kim et al. 2008
Eukaryota	Meripilus Giganteus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Laetiporus Sulphureus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Coriolus Versicolor	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Ganoderma Applanatum	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Panus Tigrinus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Cordyceps Sinensis	scavengers of peroxy radicals	Serbian pharmacies	Stilinović et al. 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Agaricus Bisporus	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Eryngii	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Ostreatus	na	HPLC	yes
Eukaryota	Agaricus Bisporus	na	HPLC	yes
Eukaryota	Flammulina Velutipes	na	HPLC	yes
Eukaryota	Lentinus Edodes	na	HPLC	yes
Eukaryota	Agaricus Blazei	na	HPLC	yes
Eukaryota	Sparassis Crispa	na	HPLC	yes
Eukaryota	Ganoderma Lucidum	na	HPLC	yes
Eukaryota	Phellinus Linteus	na	HPLC	yes
Eukaryota	Meripilus Giganteus	na	HPLC	yes
Eukaryota	Laetiporus Sulphureus	na	HPLC	yes
Eukaryota	Coriolus Versicolor	na	HPLC	yes
Eukaryota	Ganoderma Applanatum	na	HPLC	yes
Eukaryota	Panus Tigrinus	na	HPLC	yes
Eukaryota	Cordyceps Sinensis	na	LC-MS/MS	yes

Pyridine

Mass-Spectra

Compound Details

Synonymous names

PYRIDINE

Azabenzene

110-86-1

Azine

Pyridin

Piridina

Pirydyna

Pyridin [German]

Pirydyna [Polish]

Piridina [Italian]

RCRA waste number U196

Caswell No. 717

NCI-C55301

FEMA No. 2966

FEMA Number 2966

CCRIS 2926

HSDB 118

CHEBI:16227

CP 32

EINECS 203-809-9

NSC 406123

pyridine-ring

pyridine-

UNII-NH9L3PP67S

NH9L3PP67S

EPA Pesticide Chemical Code 069202

DTXSID9021924

AI3-01240

NSC-141574

NSC-406123

PYRIDINE (15N)

DTXCID101924

EC 203-809-9

MFCD00011732

PYRIDINE (IARC)

PYRIDINE [IARC]

Pyridine [UN1282] [Flammable liquid]

PYRIDINE (USP-RS)

PYRIDINE [USP-RS]

Pyridine, ACS reagent, >=99.0%

Pyridine, ReagentPlus(R), >=99%

UN1282

CEFTAZIDIME IMPURITY F (EP IMPURITY)

CEFTAZIDIME IMPURITY F [EP IMPURITY]

RCRA waste no. U196

CEFTAZIDIME PENTAHYDRATE IMPURITY F (EP IMPURITY)

CEFTAZIDIME PENTAHYDRATE IMPURITY F [EP IMPURITY]

hydropyridine

N-pyridine

pyridine fraction

3-pyridinyl

[pyridine]

2-pyridine

4-pyridine

Pyridine II

Pyridine III

3-Pyridine

Pyridine anhydrous

Azabenzene; Azine

0PY

Pyridine, anhydrous

Pyridine, 99%

Pyridine, ACS reagent

Pyridine, >=99%

Pyridine, HPLC Grade

PYRIDINE [FHFI]

PYRIDINE [HSDB]

PYRIDINE [MI]

bmse000432

Epitope ID:140099

WLN: T6NJ

Pyridine, p.a., 99%

NCIOpen2_002809

NCIOpen2_007786

NCIOpen2_007866

NCIOpen2_007986

NCIOpen2_007999

Pesticide Code: 069202

Pyridine, LR, >=99%

Pyridine, analytical standard

Pyridine, anhydrous, 99.8%

CHEMBL266158

Pyridine, AR, >=99.5%

Pyridine, >=99.5% (GC)

DTXSID101318102

BCP23599

Pyridine, for HPLC, >=99.9%

Tox21_200960

BDBM50176909

NSC141574

NSC406123

Pyridine, anhydrous Water 30ppm Max

STL264195

AKOS000120998

MCULE-4028120692

Pyridine, biotech. grade, >=99.9%

UN 1282

NCGC00091476-01

NCGC00091476-02

NCGC00258513-01

Pyridine, SAJ first grade, >=99.0%

BP-13452

CAS-110-86-1

NCI60_006101

Pyridine, JIS special grade, >=99.5%

Pyridine, p.a., ACS reagent, 99.0%

Pyridine, purification grade, >=99.75%

DB-220141

Pyridine, spectrophotometric grade, >=99%

NS00010113

Q0034

EN300-17264

C00747

A802257

Q210385

J-002482

InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5

F0001-0227

Pyridine, puriss. p.a., ACS reagent, >=99.8% (GC)

Pyridine, suitable for hydroxyl value determination, >=99.5%

Pyridine; Azabenzene; Azine; CP 32; NSC 141574; NSC 406123

Pyridine, Pharmaceutical Secondary Standard; Certified Reference Material

Pyridine, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)

0.25 M Hyacinth BMT solution BMT in anhydrous Acetonitrile, NC-0102 emp Biotech GmbH

Pyridine, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.8% (GC)

Pyridine, puriss., Reag. Ph. Eur., dried, >=99.5% (GC), <=0.0075% water

Solvent Mix Pyridine in ACN (V / V = 60 : 40) NC-0612, GL45 thread emp Biotech GmbH

29761-81-7

Pyridine for oligo synthesis (Water content < 30 ppm) NC-0604 2.5 L GL45 thread emp Biotech GmbH

Microorganism:

Yes

IUPAC name

pyridine

SMILES

C1=CC=NC=C1

Inchi

InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

Formula

C₅H₅N

PubChem ID

1049

Molweight

79.1

LogP

0.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds heterocyclic compounds pyridines nitrogen compounds

CHEBI-ID

16227

Supernatural-ID

SN0175542

mVOC Specific Details

Boiling Point

Degree	Reference
115.2 °C peer reviewed

Volatilization

The Henry's Law constant for pyridine is 1.1X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that pyridine is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 days(SRC). The volatilization half- life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 25 days(SRC). Pyridine's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Pyridine is a weak base with a pKa of 5.23(3), which indicates this compound will partially exist in the protonated form in acidic conditions, and no volatilization from water or moist soil will occur for the cation(SRC). The potential for volatilization of pyridine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 20.8 mm Hg(4).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 922-927 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

Soil Adsorption

The Koc of pyridine is estimated as 50(SRC), using a measured log Kow of 0.65(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pyridine is expected to have high mobility in soil. The pKa of pyridine is 5.23(4), which indicates that pyridine will partially exist in the protonated form under acidic conditions and cations adsorb more strongly to soil surfaces than neutral molecules(SRC). The adsorption of pyridine to a basic subsoil (pH 8.15, 0.58% organic carbon) is negligible, while in an acidic subsoil (pH 4.85, O.24% organic carbon), the Freundlich adsorption constant was measured to be 5.78 and the slope 0.679(5). This suggests a cationic adsorption mechanism as pyridine is predominantly in its protonated form. Pyridine adsorbs to colloidal particles of sodium montmorillonite and kaolinite, a process which is attributed to cation exchange and is a function of pH(5). Adsorption is at a minimum at pH 1 and 11 and reaches a maximum at pH 4 for the montmorillonite and pH 5.5 for the kaolinite where the adsorption constants are 60 and 10, respectively(6).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 12 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (5) Felice LJ et al; Quinoline Partitioning In Substance Materials Adsorption, Desorption, and Solute Competition PNL-SA-11728 Battelle Pacific NW Labs pp. 19 (1984) (6) Baker RA, Lu MD; Water Res 5: 839-48 (1971)

Vapor Pressure

Pressure	Reference
20.8 mm Hg @ 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 4884 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 4883 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 4887 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Positive

MS-MS Spectrum 225461

MS-MS Spectrum 4888 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Positive

MS-MS Spectrum 1315 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4889 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Positive

MS-MS Spectrum 225459

MS-MS Spectrum 225452

MS-MS Spectrum 4882 - EI-B (Unknown) Positive

MS-MS Spectrum 225462

MS-MS Spectrum 225454

MS-MS Spectrum 225463

MS-MS Spectrum 4885 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Positive

MS-MS Spectrum 225456

MS-MS Spectrum 225457

MS-MS Spectrum 1316 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4886 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Positive

MS-MS Spectrum 225455

MS-MS Spectrum 4881 - EI-B (MX-1303) Positive

MS-MS Spectrum 1317 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 225453

MS-MS Spectrum 225451

MS-MS Spectrum 225458

MS-MS Spectrum 225460

1D-NMR-Links

1D NMR Spectrum 4056

1D NMR Spectrum 1287 - Bruker 400 MHz 13C NMR

1D NMR Spectrum 3794

1D NMR Spectrum 1606 - Varian 500 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-CASMI_2016-SM813501

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000477

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003926

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007681

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009032

Massbank Spectrum MSBNK-Keio_Univ-KO003723

Massbank Spectrum MSBNK-Keio_Univ-KO003724

Massbank Spectrum MSBNK-Keio_Univ-KO003725

Massbank Spectrum MSBNK-Keio_Univ-KO003726

Massbank Spectrum MSBNK-Keio_Univ-KO003727

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Eukaryota	Tausonia Pullulans	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Fusarium Sp.		NA	Brock et al. 2011
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Tuber Melanosporum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Eukaryota	Tausonia Pullulans	artificial nectar media	GC-MS	no
Eukaryota	Fusarium Sp.			no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Tuber Melanosporum			yes
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

2,6-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names

2,6-DIMETHYLPYRAZINE

108-50-9

Pyrazine, 2,6-dimethyl-

3,5-Dimethylpyrazine

2,6-Dimethylpiazine

2,6-Dimethylparadiazine

2,6-Dimethyl-1,4-diazine

FEMA No. 3273

N77Q72C9I3

2,6DMP

CCRIS 2930

2,6-Dimethylpyrazine (natural)

2,6-dimethyl pyrazine

EINECS 203-589-4

UNII-N77Q72C9I3

2,6 dimethylpyrazine

2,6-dimethyl-pyrazine

2,6-Dimethylpyrazine, 98%

SCHEMBL110425

2,6-dioxaspiro[3,3]heptane

2,6-Dimethylpyrazine,typically

SCHEMBL7120213

DTXSID5047619

PYRAZINE, 2,6-DIMETHYL

CHEBI:89791

FEMA 3273

AMY23200

2,6-DIMETHYLPYRAZINE [FCC]

2,6-DIMETHYLPYRAZINE [FHFI]

MFCD00006148

2,6-Dimethylpyrazine, >=98%, FG

AKOS006220715

CS-W021530

HY-W040790

2,6-Dimethylpyrazine, analytical standard

AC-23626

AS-14441

PD158374

ALPHAPRODINEHYDROCHLORIDECII(250MG)

DB-003244

D1527

NS00012336

2,6-Dimethylpyrazine, natural (US), >=90%

EN300-105139

O10631

Q-100050

Q27161978

F0001-0172

InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H

Microorganism:

Yes

IUPAC name

2,6-dimethylpyrazine

SMILES

CC1=CN=CC(=N1)C

Inchi

InChI=1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3

Formula

C₆H₈N₂

PubChem ID

7938

Molweight

108.14

LogP

0.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds nitrogen compounds pyrazines heterocyclic compounds

CHEBI-ID

89791

Supernatural-ID

SN0127170

mVOC Specific Details

Boiling Point

Degree	Reference
154 median

MS-Links

MS-MS Spectrum 98020

MS-MS Spectrum 162844

MS-MS Spectrum 98021

MS-MS Spectrum 98019

MS-MS Spectrum 162845

MS-MS Spectrum 162843

MS-Links

GC-MS Spectrum 3289

1D-NMR-Links

1D NMR Spectrum 4044

1D NMR Spectrum 3785

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Prokaryota	Pseudochrobactrum Saccharolyticum	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Wautersiella Falsenii	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Achromobacter Xylosoxidans	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Alcaligenes Faecalis	na	na	Su et al. 2016
Prokaryota	Brevibacterium Epidermidis	na	na	Su et al. 2016
Prokaryota	Proteus Vulgaris	na	na	Su et al. 2016
Prokaryota	Providencia Rettgeri	na	na	Su et al. 2016
Prokaryota	Pseudochrobactrum Asaccharolyticum	na	na	Su et al. 2016
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Prokaryota	Pseudochrobactrum Saccharolyticum	LB liquid	SPME-GC/MS	no
Prokaryota	Wautersiella Falsenii	LB liquid	SPME-GC/MS	no
Prokaryota	Achromobacter Xylosoxidans	LB liquid	SPME-GC/MS	no
Prokaryota	Alcaligenes Faecalis	LB medium	SPME-GC/MS	no
Prokaryota	Brevibacterium Epidermidis	LB medium	SPME-GC/MS	no
Prokaryota	Proteus Vulgaris	LB medium	SPME-GC/MS	no
Prokaryota	Providencia Rettgeri	LB medium	SPME-GC/MS	no
Prokaryota	Pseudochrobactrum Asaccharolyticum	LB medium	SPME-GC/MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

2-pentylfuran

Mass-Spectra

Compound Details

Synonymous names

2-PENTYLFURAN

3777-69-3

2-Amylfuran

2-n-Pentylfuran

Furan, 2-pentyl-

Furan, pentyl-

PENTYLFURAN

FEMA No. 3317

6I0QAJ1JZQ

DTXSID9047679

CHEBI:89197

64079-01-2

2-Pentylfuran (natural)

2-(N-Pentyl)furan

EINECS 223-234-7

UNII-6I0QAJ1JZQ

BRN 0107854

2-pentylfurane

CCRIS 8807

2-pentyl-furan

2-Pentylfuran; 2-Amylfuran; 2-n-Pentylfuran; Dihydro-5-pentyl-2(hydro)-furan

Furane, 2-pentyl

MFCD00036497

AMYLFURAN

5-17-01-00390 (Beilstein Handbook Reference)

2-Amylfuran; 2-Pentyl furan

2-PENTYLFURAN [FHFI]

Amyl furan (2-Pentyl furan)

SCHEMBL221257

CHEMBL3182720

DTXCID7027679

2-Pentylfuran, >=98%, FG

FEMA 3317

2-Pentylfuran, analytical standard

HY-N7398

Tox21_303542

s9334

AKOS015913798

SB61015

NCGC00257337-01

BS-22948

PD144438

CAS-3777-69-3

DB-003325

CS-0119428

NS00011970

P1209

2-Pentylfuran 100 microg/mL in Acetonitrile

2-Pentylfuran, natural (US), >=97%, FG

H11330

EN300-7399562

A823863

W-106514

Q27161382

Z1255423587

Microorganism:

Yes

IUPAC name

2-pentylfuran

SMILES

CCCCCC1=CC=CO1

Inchi

InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

Formula

C₉H₁₄O

PubChem ID

19602

Molweight

138.21

LogP

3.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers heterocyclic compounds furan derivatives

CHEBI-ID

89197

Supernatural-ID

SN0461056

mVOC Specific Details

Boiling Point

Degree	Reference
64 median

MS-Links

MS-MS Spectrum 64323

MS-MS Spectrum 121450

MS-MS Spectrum 121451

MS-MS Spectrum 64325

MS-MS Spectrum 64324

MS-MS Spectrum 121449

1D-NMR-Links

1D NMR Spectrum 4137

1D NMR Spectrum 3868

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007731

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Eukaryota	Aspergillus Versicolor		wild strains	Schleibinger et al. 2005
Eukaryota	Chaetomium Globosum		wild strains	Schleibinger et al. 2005
Eukaryota	Eurotium Amstelodami		wild strains	Schleibinger et al. 2005
Eukaryota	Penicillium Brevicompactum		wild strains	Schleibinger et al. 2005
Eukaryota	Hypoxylon Anthochroum		NA	Macías-Rubalcava et al. 2018
Prokaryota	Bacillus Subtilis	antifungal activity against Alternaria solani	isolate from rhizosphere of potato in Shandong and Hebei Province in China	Zhang et al. 2020
Prokaryota	Pseudomonas Pseudoalcaligenes	promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize	Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad	Yasmin et al. 2021
Eukaryota	Trichoderma Viride		NA	Moisan et al. 2021
Eukaryota	Trichoderma Asperellum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Cotxarrera et al., 2002	Lazazzara et al. 2021
Eukaryota	Trichoderma Atroviride	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Pertot et al., 2008	Lazazzara et al. 2021
Eukaryota	Trichoderma Harzianum	reduce downy mildew severity on Vitis vinifera (grapevine plants)	Eladet al., 1997	Lazazzara et al. 2021
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Aspergillus Flavus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Parasiticus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Niger	n/a	NA	Beck et al. 2012
Eukaryota	Penicillium Glabrum	n/a	NA	Beck et al. 2012
Eukaryota	Rhizopus Stolonifer	n/a	NA	Beck et al. 2012
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Eukaryota	Trametes Suaveolens	na	near ZachersmÃ¼hle, GÃ¶ppingen, southern Germany	Rösecke et al. 2000
Eukaryota	Tuber Aestivum	na	Tarsul (as normal forest); Daix (man made orchard)	Molinier et al. 2015
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Eukaryota	Trichoderma Atroviride		NA	Stoppacher et al. 2010
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Eukaryota	Aspergillus Versicolor	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Chaetomium Globosum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Eurotium Amstelodami	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Penicillium Brevicompactum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Hypoxylon Anthochroum	rice medium (RM, 300g of rice and 300ml of water)	SPME, GC-MS	yes
Prokaryota	Bacillus Subtilis	LB media	HS-SPME/GC-MS	yes
Prokaryota	Pseudomonas Pseudoalcaligenes	LB media	SPME/GC-MS	no
Eukaryota	Trichoderma Viride	1/5th PDA medium	GC-MS	no
Eukaryota	Trichoderma Asperellum	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Atroviride	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Harzianum	PDA media	HS-SPME/GC-MS	yes
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Aspergillus Flavus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Parasiticus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Niger	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Penicillium Glabrum	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Rhizopus Stolonifer	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Eukaryota	Trametes Suaveolens	na	GC/MS	no
Eukaryota	Tuber Aestivum	na	SPME-GC/MS	no
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Eukaryota	Trichoderma Atroviride	Potato dextrose agar	HS-SPME/GC-MS	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

2-ethylfuran

Mass-Spectra

Compound Details

Synonymous names

2-Ethylfuran

3208-16-0

Furan, 2-ethyl-

alpha-Ethylfuran

2-Ethyloxole

2-ETHYL FURAN

FEMA No. 3673

2-ethyl-furan

2-Ethyl furane

Furan, .alpha.-ethyl-

T8O6J71T9O

FEMA 3673

MFCD00003259

CCRIS 4387

2-Ethylfuran; ?-Ethylfuran; Furan, 2-ethyl-

EINECS 221-714-0

UNII-T8O6J71T9O

alpha-Ethyl-Furan

2-Ethylfuran, 97%

.ALPHA.-ETHYLFURAN

2-Ethylfuran, >=99%

2-ETHYLFURAN [FHFI]

CHEMBL2269084

DTXSID7062906

2-Ethylfuran, analytical standard

CHEBI:141565

GEO-01350

AKOS005254497

CS-W013731

MCULE-6819919667

SB60988

2-Ethylfuran 100 microg/mL in Acetonitrile

E0454

NS00022047

EN300-51262

S10154

A821123

W-106860

Q17989420

Z640169748

InChI=1/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H

Microorganism:

Yes

IUPAC name

2-ethylfuran

SMILES

CCC1=CC=CO1

Inchi

InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

Formula

C₆H₈O

PubChem ID

18554

Molweight

96.13

LogP

2.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds ethers heterocyclic compounds furan derivatives

CHEBI-ID

141565

Supernatural-ID

SN0129007

mVOC Specific Details

Boiling Point

Degree	Reference
92 median

MS-Links

MS-MS Spectrum 62337

MS-MS Spectrum 119038

MS-MS Spectrum 119037

MS-MS Spectrum 62338

MS-MS Spectrum 62339

MS-MS Spectrum 119039

1D-NMR-Links

1D NMR Spectrum 4597

1D NMR Spectrum 4471

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007726

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Penicillium Crustosum		compost	Fischer et al. 1999
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
	Lentinula Edodes			Geng et al. 2024
	Lactobacillus Plantarum			Ma et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Penicillium Crustosum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no

4-methylpent-3-en-2-one

Mass-Spectra

Compound Details

Synonymous names

MESITYL OXIDE

141-79-7

4-Methylpent-3-en-2-one

4-Methyl-3-penten-2-one

3-Penten-2-one, 4-methyl-

Methyl isobutenyl ketone

Isopropylideneacetone

Isobutenyl methyl ketone

Mesityloxid

Mesityloxyde

Ossido di mesitile

3-Isohexen-2-one

Isopropylidene acetone

Oxyde de mesityle

Acetone, isopropylidene-

Methyl 2-methyl-1-propenyl ketone

Methyl 2,2-dimethylvinyl ketone

2-Methyl-4-oxo-2-pentene

2-Methyl-2-pentenone-4

2,2-Dimethylvinyl methyl ketone

4-Metil-3-penten-2-one

4-Methyl-3-pentene-2-one

4-Methyl-3-penten-2-on

2-Methyl-2-penten-4-one

FEMA No. 3368

NSC 38717

4-Methyl-3-penten-2-one, 9CI

4-methyl-pent-3-en-2-one

DTXSID1029170

CHEBI:89993

(CH3)2C=CHC(=O)CH3

NSC-38717

77LAC84669

DTXCID209170

Mesityloxid [German]

Mesityloxyde [Dutch]

Caswell No. 547

FEMA Number 3368

Oxyde de mesityle [French]

CAS-141-79-7

Ossido di mesitile [Italian]

HSDB 1195

EINECS 205-502-5

4-Metil-3-penten-2-one [Italian]

UN1229

EPA Pesticide Chemical Code 052401

BRN 1361550

4-Methyl-3-penten-2-on [Dutch, German]

AI3-07702

UNII-77LAC84669

Mesityloxid(german)

MFCD00008900

Isopropylidene-Acetone

Mesityl oxide [UN1229] [Flammable liquid]

EC 205-502-5

2-methylpent-2-en-4-one

MESITYL OXIDE [MI]

1-Methylpent-2-en-4-one

MESITYL OXIDE [HSDB]

CHEMBL3185916

FEMA 3368

WLN: 1Y1 & U1V1

4-Methyl-3-penten-2-one, 90%

AMY23356

NSC38717

Tox21_202080

Tox21_303606

LMFA12000030

STL146350

Mesityl oxide, technical grade, 90%

AKOS000118892

MCULE-4922478422

UN 1229

NCGC00249161-01

NCGC00257514-01

NCGC00259629-01

4-Methyl-3-penten-2-one (mesityl oxide)

4-Methyl-3-penten-2-on(DUTCH, GERMAN)

4-METHYL-3-PENTENE-2-ONE [FHFI]

M0069

M1340

NS00006985

TEICOPLANIN IMPURITY A [EP IMPURITY]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

EN300-21333

Mesityl oxide [UN1229] [Flammable liquid]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

A807813

CILASTATIN SODIUM IMPURITY D [EP IMPURITY]

Q425668

Q-201356

4-Methyl-3-penten-2-one, analytical reference material

Mesityl oxide, 90%, remainder 4-methyl-4-penten-2-one

InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard

4-Methylpent-3-en-2-one; Mesityl oxide; Cilastatin Sodium Imp. D (EP)

Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material

Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%

Microorganism:

Yes

IUPAC name

4-methylpent-3-en-2-one

SMILES

CC(=CC(=O)C)C

Inchi

InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

Formula

C₆H₁₀O

PubChem ID

8858

Molweight

98.14

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alkenes aliphatic ketones ketones

CHEBI-ID

89993

Supernatural-ID

SN0345746

mVOC Specific Details

Boiling Point

Degree	Reference
130 °C peer reviewed

Volatilization

The Henry's Law constant for mesityl oxide is estimated as 3.67X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 8.21 mm Hg(1), and water solubility, 28,900 mg/L(2). This Henry's Law constant indicates that mesityl oxide is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 17 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 11 days(SRC). Mesityl oxide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of mesityl oxide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner DP; Physical & Thermodynamic Properties of Pure Chemicals Vol. 3 NY: Hemisphere Pub Corp (1989) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of mesityl oxide is estimated as 15(SRC), using a water solubility of 28,900 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that mesityl oxide is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
8.21 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 114264

MS-MS Spectrum 114266

MS-MS Spectrum 50845

MS-MS Spectrum 50846

MS-MS Spectrum 50844

MS-MS Spectrum 114265

1D-NMR-Links

1D NMR Spectrum 2244 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 2939 - Varian 25.16 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005409

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006447

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Klebsiella Pneumoniae		NA	Rees et al. 2017
Prokaryota	Pseudomonas Aeruginosa	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Pseudomonas Sp.	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Bacillus Sp.	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Brevibacillus Agri	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Aneurinibacillus Aneurinilyticus	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Serratia Liquefaciens	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Collimonas Pratensis	na	rhizosphere of Marram grass in sandy dune soils, Netherlands	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Prokaryota	Streptomyces Citreus	n/a	NA	Schulz and Dickschat 2007
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Klebsiella Pneumoniae	LB	SPME / GCxGC-TOFMS	no
Prokaryota	Pseudomonas Aeruginosa	LB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	SPME/GC-MS	no
Prokaryota	Bacillus Sp.	LB media	SPME/GC-MS	no
Prokaryota	Brevibacillus Agri	LB media	SPME/GC-MS	no
Prokaryota	Aneurinibacillus Aneurinilyticus	LB media	SPME/GC-MS	no
Prokaryota	Serratia Liquefaciens	LB media	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Collimonas Pratensis	sand containing artificial root exudates	GC/MS	no
Prokaryota	Collimonas Pratensis		Headspace trapping/GC-MS	no
Prokaryota	Streptomyces Citreus	n/a	n/a	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

(methyldisulfanyl)methane

Mass-Spectra

Compound Details

Synonymous names

Dimethyl disulfide

624-92-0

METHYL DISULFIDE

Dimethyldisulfide

Dimethyl disulphide

DMDS

Disulfide, dimethyl

2,3-Dithiabutane

(Methyldisulfanyl)methane

Methyldisulfide

Methyldithiomethane

(Methyldithio)methane

Sulfa-hitech

dimethyldisulphide

FEMA No. 3536

NSC 9370

1,2-Dimethyldisulfane

CCRIS 2939

HSDB 6400

EINECS 210-871-0

UNII-3P8D642K5E

CHEBI:4608

Dimethyl-d6 disulfide

AI3-25305

3P8D642K5E

NSC-9370

MFCD00008561

DTXSID4025117

(CH3S)2

EC 210-871-0

Paladin

UN2381

dimethydisulfide

methyl disulphide

Dimethyl disulfane

Disulfide dimethyl

MeS-SMe

Disulfide, dimethyl-

methyldisulfanyl methane

Dimethyl disulfide, 98%

Dimethyl disulfide, 99%

(Methyldisulfanyl)methane #

Dimethyl disulfide, >=99%

WLN: 1SS1

DTXCID805117

METHYL DISULFIDE [HSDB]

CHEMBL1347061

Dimethyl disulfide, >=99.0%

DIMETHYL DISULFIDE [FHFI]

NSC9370

BDBM233038

Dimethyl disulfide, >=98%, FG

AMY39506

EINECS 272-923-9

Tox21_201525

AKOS009157459

Dimethyl disulfide, analytical standard

MCULE-7451882535

UN 2381

NCGC00091798-01

NCGC00091798-02

NCGC00259075-01

CAS-624-92-0

Dimethyl disulfide, natural, >=98%, FG

D0714

Dimethyl disulfide, purum, >=98.0% (GC)

NS00001484

EN300-36043

InChI=1/C2H6S2/c1-3-4-2/h1-2H

C08371

E78981

A833808

Dimethyl disulfide [UN2381] [Flammable liquid]

Q419800

Q-100719

F0001-1676

Microorganism:

Yes

IUPAC name

(methyldisulfanyl)methane

SMILES

CSSC

Inchi

InChI=1S/C2H6S2/c1-3-4-2/h1-2H3

Formula

C₂H₆S₂

PubChem ID

12232

Molweight

94.2

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

sulfides sulfur compounds

CHEBI-ID

4608

Supernatural-ID

SN0417328

mVOC Specific Details

Boiling Point

Degree	Reference
109.72 °C peer reviewed

Volatilization

The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)

Vapor Pressure

Pressure	Reference
28.7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 65042

MS-MS Spectrum 65041

MS-MS Spectrum 122360

MS-MS Spectrum 65040

MS-MS Spectrum 122359

MS-MS Spectrum 122358

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005727

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009135

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Chippendale et al. 2014
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Enterococcus Faecalis	NA	NA	Thorn et al. 2011
Prokaryota	Escherichia Coli	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Thorn et al. 2011
Prokaryota	Neisseria Meningitidis	NA	NA	Allardyce et al. 2006
Prokaryota	Proteus Mirabilis	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Carroll et al. 2005
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Allardyce et al. 2006
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Allardyce et al. 2006
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Shestivska et al. 2015
Prokaryota	Stenotrophomonas Rhizophila	NA	NA	Shestivska et al. 2015
Prokaryota	Streptococcus Pneumoniae	NA	NA	Allardyce et al. 2006
Prokaryota	Streptococcus Pneumoniae	NA	NA	Scotter et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Ahmed et al. 2023
Prokaryota	Klebsiella Pneumoniae	NA	NA	Ahmed et al. 2023
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Ahmed et al. 2023
Prokaryota	Staphylococcus Aureus	NA	NA	Ahmed et al. 2023
Prokaryota	Escherichia Coli	NA	NA	Hewett et al. 2020
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Burkholderia Cepacia	NA	NA	NA
Eukaryota	Candida Krusei	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Albicans	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Glabrata	NA	NA	Hertel et al. 2016a
Eukaryota	Candida Tropicalis	NA	NA	Hertel et al. 2016a
Prokaryota	Escherichia Coli	NA	NA	Lawal et al. 2018a
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Haemophilus Influenzae	NA	NA	Filipiak et al. 2012
Prokaryota	Klebsiella Pneumoniae	NA	NA	Zechman et al. 1986
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zechman et al. 1986
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Neerincx et al. 2016
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Lawal et al. 2018a
Prokaryota	Pseudomonas Aeruginosa	NA	NA	NA
Prokaryota	Pseudomonas Putida	NA	NA	NA
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Filipiak et al. 2012
Prokaryota	Shewanella Putrefaciens	NA	NA	NA
Prokaryota	Staphylococcus Aureus	NA	NA	Zechman et al. 1986
Prokaryota	Staphylococcus Aureus	NA	NA	Boots et al. 2014
Prokaryota	Staphylococcus Aureus	NA	NA	Lawal et al. 2018a
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	NA
Prokaryota	Streptococcus Pneumoniae	NA	NA	Filipiak et al. 2012
Prokaryota	Enterobacter Cloacae	NA	NA	Jünger et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Jünger et al. 2012
Prokaryota	Proteus Mirabilis	NA	NA	Jünger et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Jünger et al. 2012
Prokaryota	Serratia Marcescens	NA	NA	Jünger et al. 2012
Prokaryota	Enterobacter Cloacae		NA	Lawal et al. 2018
Prokaryota	Pseudomonas Aeruginosa		NA	Lawal et al. 2018
Eukaryota	Eurotium Amstelodami		wild strains	Schleibinger et al. 2005
Eukaryota	Penicillium Brevicompactum		wild strains	Schleibinger et al. 2005
Prokaryota	Bacillus Acidiceler		NA	Méndez-Bravo et al. 2018
Prokaryota	Shigella Sonnei		China Center of Industrial Culture collection	Wang et al. 2018
Eukaryota	Fusarium Oxysporum		onion	Wang et al. 2018
Eukaryota	Fusarium Proliferatum		onion	Wang et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Prokaryota	Ignatzschineria Indica		pig (Sus scrofa domesticus) carcass	Cernosek et al. 2020
Prokaryota	Pseudomonas Fluorescens	0	Medicago spp. plant rhizospheres	Hernández-León et al. 2015
Prokaryota	Hyphomonas Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Rhizobium Sp.		swine wastewater	Cho et al. 2019
Prokaryota	Pseudomonas Protegens		NA	Mannaa et al. 2018
Prokaryota	Serratia Marcescens	antifungal activity against Aspergillus flavus	tea rhizosphere in Xinyang, Henan province, China	Gong et al. 2022
Prokaryota	Bacillus Muralis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Pumilus	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Novosphingobium Lindaniclasticum	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Subtilis	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Amyloliquefaciens	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Megaterium	antifungal activity against mycelial growth and spore germination of phytopathogenic Moniliophtora roreri	phytopathology strain collection of El Colegio de la Frontera Sur (ECOSUR), Tapachula, Chiapas, Mexico	De la Cruz-López et al. 2022
Prokaryota	Bacillus Subtilis	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Fluorescens	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Bacillus Mycoides		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Pseudomonas Pseudoalcaligenes	promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize	Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad	Yasmin et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Pseudomonas Aeruginosa		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Bacillus Subtilis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Subtilis		NA	Mülner et al. 2020
Prokaryota	Bacillus Atrophaeus	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Amyloliquefaciens		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Velezensis		NA	Mülner et al. 2020
Prokaryota	Bacillus Licheniformis		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Licheniformis		NA	Mülner et al. 2020
Prokaryota	Pseudomonas Aeruginosa		National Collections of Industrial Food and Marine Bacteria, American Type Culture Collection	Slade et al. 2022
Prokaryota	Chromobacterium Vaccinii	antifungal activity against Trichoderma sp. MWU14-9201, Phoma sp. MWU-UMCS9302, Colletotrichum sp. MWU-UMCS9301, Coleophoma sp. MWU-UMCS9305 and Phytophthora cinnamomi R001	isolate from cultivated cranberry bog soils in Massachusetts (USA)	Ebadzadsahrai et al. 2020
Prokaryota	Staphylococcus Epidermidis		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Streptomyces Griseus		NA	Riu et al. 2022
Eukaryota	Chromera Velia		Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)	Koteska et al. 2023
Prokaryota	Bacillus Cereus	promote fungal hypocrellin A production in Shiraia sp. S9	isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC)	Xu et al. 2022
Prokaryota	Burkholderia Pyrrocinia	promote aerial and root growth in Arabidopsis thaliana seedlings	Rhizosphere soil samples from roots of maize (Zea mays L.) grown in Gongju, South Korea	Luo et al. 2022
Prokaryota	Streptomyces Alboflavus	n/a	NA	Wang et al. 2013
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Sp.	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Rishiriensis	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Albus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Antibioticus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Aureofaciens	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Coelicolor	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Diastatochromogenes	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Griseus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hirsutus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Hygroscopicus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Murinus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Olivaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Streptomyces Thermoviolaceus	n/a	NA	Schöller et al. 2002
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Lactococcus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Oenococcus Oeni	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Brevis	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Hilgardii	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Lactobacillus Plantarum	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Actinomycetes Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Alcaligenes Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Bacillus Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Citrobacter Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Oxytoca	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Serratia Sp.	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Aeromonas Veronii	This compound is assumed to have an antagonistic effect against sapstain fungi.	NA	Schulz and Dickschat 2007
Prokaryota	Stenotrophomonas Maltophilia	n/a	NA	Zou et al. 2007
Prokaryota	Alcaligenes Faecalis	n/a	NA	Zou et al. 2007
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	NA	Zou et al. 2007
Prokaryota	Lysobacter Gummosus	n/a	NA	Zou et al. 2007
Prokaryota	Sporosarcina Ginsengisoli	n/a	NA	Zou et al. 2007
Prokaryota	Bacillus Simplex	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Subtilis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Bacillus Weihenstephanensis	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Microbacterium Oxydans	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Lateritius	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Serratia Marcescens	Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.	NA	Gu et al. 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Eukaryota	Tuber Magnatum	n/a	Italian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)	Gioacchini et al. 2008
Eukaryota	Tuber Melanosporum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Eukaryota	Tuber Aestivum	n/a	T. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same region	Cullere et al. 2010
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Burkholderia Glumae	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Caribensis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Lata	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenazinium	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Phenoliruptrix	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Pyrrocinia	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Sacchari	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Terricola	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Xenovorans	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Cupriavidus Necator	n/a	NA	Blom et al. 2011
Prokaryota	Limnobacter Thiooxidans	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Aeruginosa	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Fluorescens	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Putida	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Tropica	n/a	NA	Tenorio-Salgado et al. 2013
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Elgaali et al. 2002
Prokaryota	Escherichia Coli	n/a	NA	Siripatrawan et al. 2008
Prokaryota	Burkholderia Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Paenibacillus Sp.	bacterial interations	rhizosphere and bulk soil of Carex arenaria	Tyc et al. 2017
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Bacillus Cereus		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Bacillus Polymyxa		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterococcus Durans		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterococcus Faecium		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Lactobacillus Lactis		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Leuconostoc Mesenteroides		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Streptococcus Agalactiae		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Streptococcus Thermophilus		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Eukaryota	Fusarium Sp.		NA	Brock et al. 2011
Eukaryota	Penicillium Sp.		NA	Larsen 1998
Prokaryota	Pseudomonas Perolens	na	sterile fish muscle (Sebastes melanops)	Miller et al. 1973
Prokaryota	Pseudomonas Tolaasii	na	na	Lo Cantore et al. 2015
Prokaryota	Pseudonocardia Thermophila	na	soil	Wilkins 1996
Prokaryota	Saccharomonospora Rectivirgula	na	soil	Wilkins 1996
Prokaryota	Saccharomonospora Viridis	na	soil	Wilkins 1996
Prokaryota	Thermoactinomyces Vulgaris	na	soil	Wilkins 1996
Prokaryota	Thermomonospora Fusca	na	soil	Wilkins 1996
Prokaryota	Streptomyces Griseus	na	soil	Wilkins 1996
Prokaryota	Streptomyces Sp.	na	breathing zone of a waste collection worker	Wilkins 1996
Prokaryota	Pseudochrobactrum Saccharolyticum	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Proteus Hauseri	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Wautersiella Falsenii	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Arthrobacter Nicotianae	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Achromobacter Xylosoxidans	Nematicidal activity	cow dung	XU et al. 2015
Prokaryota	Pseudomonas Putida	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Vranovensis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Veronii	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Chlororaphis	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Fluorescens	na	rhizosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Frederiksbergensis	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Jessenii	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Prokaryota	Pseudomonas Aeruginosa	na	na	Briard et al. 2016
Prokaryota	Pseudomonas Chlororaphis	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	Rhizosphere of maize, Kiev region, Ukraine	Popova et al. 2014
Prokaryota	Serratia Proteamaculans	bacteriostatic on Agrobacterium tumefaciens C58, suppresses growth of cyanobacterium strain Synechococcus sp. PCC 7942, kills Caenorhabditis elegans	spoiled meat	Popova et al. 2014
Prokaryota	Serratia Plymuthica	stimulates growth of Pseudomonas fluorescens Pf0-1	maize rhizosphere, Netherlands	Garbeva et al. 2014
Prokaryota	Chryseobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Tsukamurella Sp.	na	na	Tyc et al. 2015
Prokaryota	Dyella Sp.	na	na	Tyc et al. 2015
Prokaryota	Janthinobacterium Sp.	na	na	Tyc et al. 2015
Prokaryota	Ralstonia Solanacearum	na	na	Spraker et al. 2014
Eukaryota	Aspergillus Versicolor	na	damp indoor environments, food products	Sunesson et al. 1995
Eukaryota	Penicillium Commune	na	in dry-cured meat products, cheese	Sunesson et al. 1995
Eukaryota	Phialophora Fastigiata	na	na	Sunesson et al. 1995
Prokaryota	Leuconostoc Mesenteroides	can be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy products	NA	Pogačić et al. 2016
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Prokaryota	Staphylococcus Aureus		National collection of type cultures (NCTC) UK	Tait et al. 2014
Prokaryota	Escherichia Coli		National collection of type cultures (NCTC) UK	Tait et al. 2014
Prokaryota	Pseudomonas Putida	na	na	Schöller et al. 1997
Prokaryota	Pseudomonas Fluorescens	na	soil, water, plants	Schöller et al. 1997
Prokaryota	Pseudomonas Aeruginosa	na	soil, water, skin flora	Schöller et al. 1997
Prokaryota	Serratia Liquefaciens	na	soil, water, plants; digestive tracts of rodents, insects, fish, humans	Schöller et al. 1997
Prokaryota	Enterobacter Cloacae	na	ubiquitary,intestinal	Schöller et al. 1997
Prokaryota	Leuconostoc Mesenteroides	na	Cantal cheese	Pogačić et al. 2016
Prokaryota	Alcaligenes Faecalis	na	na	Su et al. 2016
Prokaryota	Bacillus Cereus	na	na	Su et al. 2016
Prokaryota	Brevibacterium Epidermidis	na	na	Su et al. 2016
Prokaryota	Proteus Penneri	na	na	Su et al. 2016
Prokaryota	Proteus Vulgaris	na	na	Su et al. 2016
Prokaryota	Providencia Rettgeri	na	na	Su et al. 2016
Prokaryota	Pseudochrobactrum Asaccharolyticum	na	na	Su et al. 2016
Eukaryota	Tuber Magnatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Panniferum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Penicillium Clavigerum		compost	Fischer et al. 1999
Prokaryota	Pseudomonas Aeruginosa		clinic	Preti et al. 2009
Prokaryota	Citrobacter Freundii		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Klebsiella Pneumoniae		American Type Culture Collection	Robacker and Bartelt 1997
Prokaryota	Streptomyces Sp.		NA	Jones et al. 2017
Prokaryota	Pseudomonas Putida	positive influence of the plant root growth and protection against soil-borne pathogens	NA	Sheoran et al. 2015
Prokaryota	Pseudomonas Putida	na	black pepper root	Sheoran et al. 2015
Eukaryota	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Psychrobacillus Vulpis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
	Lentinula Edodes			Geng et al. 2024
	Microbacterium			Ballot et al. 2023
	Mycobacterium Ulcerans			Chudy et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	BHI	GC-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Enterococcus Faecalis	TYE	SIFT-MS	no
Prokaryota	Escherichia Coli	human blood	SIFT-MS	no
Prokaryota	Escherichia Coli	BacT/ALERT FA	SIFT-MS	no
Prokaryota	Escherichia Coli	TYE	SIFT-MS	no
Prokaryota	Neisseria Meningitidis	human blood	SIFT-MS	no
Prokaryota	Proteus Mirabilis	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	Pseudomonas selective	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	Blood agar	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	human blood	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	human blood	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Rhizophila	MHB	SIFT-MS	no
Prokaryota	Streptococcus Pneumoniae	human blood	SIFT-MS	no
Prokaryota	Escherichia Coli	NB	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	NB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	NB	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB-Lennox	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Burkholderia Cepacia	trypticase soy agar	TD/GC-MS	no
Eukaryota	Candida Krusei	SDA	TD/GC-MS	no
Eukaryota	Candida Albicans	SDA	TD/GC-MS	no
Eukaryota	Candida Glabrata	SDA	TD/GC-MS	no
Eukaryota	Candida Tropicalis	SDA	TD/GC-MS	no
Prokaryota	Escherichia Coli	ASM	TD/GC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Haemophilus Influenzae	Tryptic soya supp. factors X&V	TD/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Brain Heart Infusion	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	ASM	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Putida	trypticase soy agar	TD/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	tryptic soy broth	TD/GC-MS	no
Prokaryota	Shewanella Putrefaciens	trypticase soy agar	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	Mueller–Hinton	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	ASM	TD/GC-MS	no
Prokaryota	Stenotrophomonas Maltophilia	trypticase soy agar	TD/GC-MS	no
Prokaryota	Streptococcus Pneumoniae	Tryptic soya	TD/GC-MS	no
Prokaryota	Enterobacter Cloacae	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Escherichia Coli	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Proteus Mirabilis	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Pseudomonas Aeruginosa	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Serratia Marcescens	Columbia sheep blood	TD/GC-MS and MCC-IMS	no
Prokaryota	Enterobacter Cloacae	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Levine EMB agar (LEA) (Fluka Analytical, UK)	GC-MS	no
Eukaryota	Eurotium Amstelodami	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Penicillium Brevicompactum	ingrain (woodchip)	SIM/GCMS / Tenax	no
Prokaryota	Bacillus Acidiceler	LB agar	SPME / GS-MS	no
Prokaryota	Shigella Sonnei	Sodium chloride broth	SPME, GC-MS	no
Eukaryota	Fusarium Oxysporum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Eukaryota	Fusarium Proliferatum	Liquid onion extract medium (LOM)	SPME, GC-MS	yes
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Prokaryota	Ignatzschineria Indica	Nutrient Agar	SPME-GC-MS	no
Prokaryota	Pseudomonas Fluorescens	Nutrient Agar	SPME-GC-MS	no
Prokaryota	Hyphomonas Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Rhizobium Sp.	Luria-Bertani (LB)	SPME, GC-MS	no
Prokaryota	Pseudomonas Protegens	tryptic soy broth (TSB)	gastight syringe, GC-MS	no
Prokaryota	Serratia Marcescens	NA media	GC-MS/MS	no
Prokaryota	Bacillus Muralis	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Pumilus	NA media	SPME/GC-MS	yes
Prokaryota	Novosphingobium Lindaniclasticum	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Subtilis	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Megaterium	NA media	SPME/GC-MS	yes
Prokaryota	Bacillus Subtilis	LB agar	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	LB agar	GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Pseudoalcaligenes	LB media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Atrophaeus	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Velezensis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Licheniformis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	TS agar/blood agar	HS-SPME/GC-MS	no
Prokaryota	Chromobacterium Vaccinii	King media B (KMB)	SBSE-TD-GC×GC-TOF-MS	no
Prokaryota	Staphylococcus Epidermidis	BHI media, LB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Streptomyces Griseus	TSA media	SPME/GC-MS	no
Eukaryota	Chromera Velia	seawater media L1	OSSA/GC-MS	no
Prokaryota	Bacillus Cereus	LB agar	HS-SPME/GC-MS	yes
Prokaryota	Burkholderia Pyrrocinia	NA media	SPME/GC-MS	yes
Prokaryota	Streptomyces Alboflavus	Gause's synthetic medium	Headspace, solid-phase microextraction	no
Prokaryota	Streptomyces Albidoflavus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Sp.	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Rishiriensis	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Albus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Antibioticus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Aureofaciens	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Coelicolor	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Diastatochromogenes	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Griseus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hirsutus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Hygroscopicus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Murinus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Olivaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Streptomyces Thermoviolaceus	Emmerson's yeast starch agar	Headspace trapping, GC-FID/GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Lactococcus Sp.	n/a	n/a	no
Prokaryota	Lactobacillus Sp.	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Prokaryota	Lactobacillus Brevis	n/a	n/a	no
Prokaryota	Lactobacillus Hilgardii	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Actinomycetes Sp.	n/a	n/a	no
Prokaryota	Alcaligenes Sp.	n/a	n/a	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Citrobacter Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Klebsiella Oxytoca	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Prokaryota	Aeromonas Veronii	n/a	n/a	no
Prokaryota	Stenotrophomonas Maltophilia	n/a	n/a	no
Prokaryota	Alcaligenes Faecalis	n/a	n/a	no
Prokaryota	Arthrobacter Nitroguajacolicus	n/a	n/a	no
Prokaryota	Lysobacter Gummosus	n/a	n/a	no
Prokaryota	Sporosarcina Ginsengisoli	n/a	n/a	no
Prokaryota	Bacillus Simplex	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Weihenstephanensis	n/a	n/a	no
Prokaryota	Microbacterium Oxydans	n/a	n/a	no
Prokaryota	Streptomyces Lateritius	n/a	n/a	no
Prokaryota	Serratia Marcescens	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Eukaryota	Tuber Magnatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Melanosporum	n/a	Gas chromatography-olfactometry (GC-O)	no
Eukaryota	Tuber Aestivum	n/a	Gas chromatography-olfactometry (GC-O)	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Burkholderia Glumae	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Caribensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Lata	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenazinium	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Phenoliruptrix	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Pyrrocinia	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Sacchari	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Terricola	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Xenovorans	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Cupriavidus Necator	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Limnobacter Thiooxidans	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Aeruginosa	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Fluorescens	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Putida	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB and MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Tropica	Potato dextrose agar	Headspace trapping/ GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Staphylococcus Aureus	TS broth	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	Super broth made up of tryptone, yeast, NaCl	HS-SPME/GC-MS	no
Prokaryota	Burkholderia Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Paenibacillus Sp.	TSBA	GC-Q-TOF	no
Prokaryota	Escherichia Coli	TS broth	GC-MS Super Q	no
Prokaryota	Bacillus Cereus	TS broth	GC-MS SPME	yes
Prokaryota	Bacillus Polymyxa	TS broth	GC-MS SPME	yes
Prokaryota	Enterococcus Durans	TS broth	GC-MS SPME	yes
Prokaryota	Enterococcus Faecium	TS broth	GC-MS SPME	yes
Prokaryota	Lactobacillus Lactis	TS broth	GC-MS SPME	yes
Prokaryota	Leuconostoc Mesenteroides	TS broth	GC-MS SPME	yes
Prokaryota	Streptococcus Agalactiae	TS broth	GC-MS SPME	yes
Prokaryota	Streptococcus Thermophilus	TS broth	GC-MS SPME	yes
Eukaryota	Fusarium Sp.			no
Eukaryota	Penicillium Sp.			no
Prokaryota	Pseudomonas Perolens	Trypticase soil agar (BBL)	GC/MS	no
Prokaryota	Pseudomonas Tolaasii	KB	SPME-GC	no
Prokaryota	Pseudonocardia Thermophila	Nutrient agar CM3	GC/MS	no
Prokaryota	Saccharomonospora Rectivirgula	Nutrient agar CM3	GC/MS	no
Prokaryota	Saccharomonospora Viridis	Nutrient agar CM3	GC/MS	no
Prokaryota	Thermoactinomyces Vulgaris	Nutrient agar CM3	GC/MS	no
Prokaryota	Thermomonospora Fusca	Nutrient agar CM3	GC/MS	no
Prokaryota	Streptomyces Griseus	Nutrient agar CM3	GC/MS	no
Prokaryota	Streptomyces Sp.	Nutrient agar CM3 + 50mg/l actidione	GC/MS	no
Prokaryota	Pseudochrobactrum Saccharolyticum	LB liquid	SPME-GC/MS	no
Prokaryota	Proteus Hauseri	LB liquid	SPME-GC/MS	no
Prokaryota	Wautersiella Falsenii	LB liquid	SPME-GC/MS	no
Prokaryota	Arthrobacter Nicotianae	LB liquid	SPME-GC/MS	no
Prokaryota	Achromobacter Xylosoxidans	LB liquid	SPME-GC/MS	no
Prokaryota	Pseudomonas Putida	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Vranovensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Veronii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Chlororaphis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Fluorescens	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Frederiksbergensis	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Jessenii	LB medium	GC/MS	yes
Prokaryota	Pseudomonas Aeruginosa	minimal medium/ Brian medium	SPME-GC/MS	no
Prokaryota	Pseudomonas Chlororaphis	LB medium	SPME-GC/MS	no
Prokaryota	Serratia Proteamaculans	LB medium	SPME-GC/MS	no
Prokaryota	Serratia Plymuthica	sand containing artificial root exudates	GC/MS	no
Prokaryota	Chryseobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Tsukamurella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Dyella Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Janthinobacterium Sp.	Tryptic soy broth agar	GC/MS-Q-TOF	no
Prokaryota	Ralstonia Solanacearum	Casamino Acid Peptone Glucose agar	SPME-GC/MS	no
Eukaryota	Aspergillus Versicolor	DG18	GC/MS	no
Eukaryota	Penicillium Commune	MEA	GC/MS	no
Eukaryota	Phialophora Fastigiata	DG18	GC/MS	no
Prokaryota	Leuconostoc Mesenteroides	Man Rogosa Sharpe broth (MRS)	Tenax-trap/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Prokaryota	Staphylococcus Aureus	TS broth	GC-FID	no
Prokaryota	Escherichia Coli	tryptone, yeast extract	GC-MS (SPB-5)	no
Prokaryota	Pseudomonas Putida	AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid	GC-FID,GC/MS	no
Prokaryota	Pseudomonas Fluorescens	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Pseudomonas Aeruginosa	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Serratia Liquefaciens	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Enterobacter Cloacae	AB medium + 1% citrate	GC-FID,GC/MS	no
Prokaryota	Leuconostoc Mesenteroides	curd-based broth medium	GC/MS	yes
Prokaryota	Alcaligenes Faecalis	LB medium	SPME-GC/MS	no
Prokaryota	Bacillus Cereus	LB medium	SPME-GC/MS	no
Prokaryota	Brevibacterium Epidermidis	LB medium	SPME-GC/MS	no
Prokaryota	Proteus Penneri	LB medium	SPME-GC/MS	no
Prokaryota	Proteus Vulgaris	LB medium	SPME-GC/MS	no
Prokaryota	Providencia Rettgeri	LB medium	SPME-GC/MS	no
Prokaryota	Pseudochrobactrum Asaccharolyticum	LB medium	SPME-GC/MS	no
Eukaryota	Tuber Panniferum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Penicillium Clavigerum	yest extract sucrose	Tenax/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Citrobacter Freundii	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Klebsiella Pneumoniae	tryptic soy broth	SPME, GC-MS	yes
Prokaryota	Streptomyces Sp.	YPD agar	GCxGC-TOFMS	no
Prokaryota	Pseudomonas Putida	TSB	Propak Q adsorbent trap/GC-MS	no
Prokaryota	Pseudomonas Putida	Luria Bertani Agar	Headspace GC/MS	no
Eukaryota	Tuber Borchii	None	None	yes
Eukaryota	Tuber Melanosporum	None	None	yes
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Psychrobacillus Vulpis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Cactorum	Potato Dextrose Agar	SPME/GC-MS/MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Mycobacterium Ulcerans	NA	GCMS–GP2010	no

Acetic Acid

Mass-Spectra

Compound Details

Synonymous names

acetic acid

ethanoic acid

64-19-7

Acetic acid glacial

Ethylic acid

Vinegar acid

Glacial acetic acid

Acetic acid, glacial

Methanecarboxylic acid

Acetasol

Essigsaeure

Acide acetique

Pyroligneous acid

Vinegar

Azijnzuur

Aceticum acidum

Acido acetico

Octowy kwas

Aci-jel

HOAc

ethoic acid

Kyselina octova

Orthoacetic acid

AcOH

Azijnzuur [Dutch]

Ethanoic acid monomer

Acetic

Essigsaeure [German]

Caswell No. 003

Otic Tridesilon

Octowy kwas [Polish]

Acetic acid (natural)

Acide acetique [French]

Acido acetico [Italian]

FEMA No. 2006

Kyselina octova [Czech]

MeCOOH

Acetic acid-17O2

Otic Domeboro

Acidum aceticum glaciale

Acidum aceticum

CH3-COOH

acetic acid-

CH3CO2H

UN2789

UN2790

EPA Pesticide Chemical Code 044001

NSC 132953

NSC-132953

NSC-406306

BRN 0506007

Acetic acid, diluted

INS NO.260

Acetic acid [JAN]

DTXSID5024394

MeCO2H

CHEBI:15366

AI3-02394

CH3COOH

INS-260

Q40Q9N063P

E-260

10.Methanecarboxylic acid

CHEMBL539

NSC-111201

NSC-112209

NSC-115870

NSC-127175

Acetic acid-2-13C,d4

INS No. 260

DTXCID304394

E 260

Acetic-13C2 acid (8CI,9CI)

Ethanoat

Shotgun

MFCD00036152

Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid

285977-76-6

68475-71-8

C2:0

acetyl alcohol

Orlex

Vosol

ACETIC-1-13C-2-D3 ACID-1 H (D)

WLN: QV1

ACETIC ACID (MART.)

ACETIC ACID [MART.]

Acetic acid, >=99.7%

57745-60-5

63459-47-2

FEMA Number 2006

ACETIC-13C2-2-D3 ACID, 97 ATOM % 13C, 97 ATOM % D

Acetic acid, ACS reagent, >=99.7%

ACY

HSDB 40

CCRIS 5952

79562-15-5

methane carboxylic acid

EINECS 200-580-7

Acetic acid 0.25% in plastic container

Essigsaure

Ethylate

acetic aicd

acetic-acid

Glacial acetate

acetic cid

actic acid

UNII-Q40Q9N063P

acetic -acid

Distilled vinegar

Methanecarboxylate

Acetic acid, glacial [USP:JAN]

Acetasol (TN)

Acetic acid,glacial

Carboxymethyl radical

for LC-MS

Vinegar (Salt/Mix)

HOOCCH3

546-67-8

Acetic acid LC/MS Grade

ACETIC ACID [II]

ACETIC ACID [MI]

Acetic acid, ACS reagent

bmse000191

bmse000817

bmse000857

Otic Domeboro (Salt/Mix)

EC 200-580-7

Acetic acid (JP17/NF)

ACETIC ACID [FHFI]

ACETIC ACID [INCI]

Acetic Acid [for LC-MS]

ACETIC ACID [VANDF]

NCIOpen2_000659

NCIOpen2_000682

Acetic acid, glacial (USP)

4-02-00-00094 (Beilstein Handbook Reference)

77671-22-8

Glacial acetic acid (JP17)

UN 2790 (Salt/Mix)

ACETIC ACID [WHO-DD]

ACETIC ACID [WHO-IP]

ACETICUM ACIDUM [HPUS]

GTPL1058

Acetic Acid Glacial HPLC Grade

Acetic acid, analytical standard

Acetic acid, Glacial USP grade

Acetic acid, puriss., >=80%

Acetic acid, 99.8%, anhydrous

Acetic acid, AR, >=99.8%

Acetic acid, LR, >=99.5%

DTXSID001043500

Acetic acid, extra pure, 99.8%

Acetic acid, 99.5-100.0%

Acetic acid, Glacial, ACS Reagent

STR00276

Acetic acid, puriss., 99-100%

Tox21_301453

Acetic acid, glacial, >=99.85%

BDBM50074329

FA 2:0

LMFA01010002

NSC132953

NSC406306

STL264240

Acetic acid, for HPLC, >=99.8%

AKOS000268789

ACIDUM ACETICUM [WHO-IP LATIN]

DB03166

MCULE-8295936189

UN 2789

Acetic acid, >=99.5%, FCC, FG

Acetic acid, natural, >=99.5%, FG

Acetic acid, ReagentPlus(R), >=99%

CAS-64-19-7

USEPA/OPP Pesticide Code: 044001

Acetic acid, USP, 99.5-100.5%

NCGC00255303-01

Acetic acid 1000 microg/mL in Methanol

Acetic acid, SAJ first grade, >=99.0%

DB-085748

Acetic acid 1000 microg/mL in Acetonitrile

Acetic acid, >=99.99% trace metals basis

Acetic acid, JIS special grade, >=99.7%

Acetic acid, purified by double-distillation

NS00002089

Acetic acid, UV HPLC spectroscopic, 99.9%

EN300-18074

Acetic acid, Vetec(TM) reagent grade, >=99%

Bifido Selective Supplement B, for microbiology

C00033

D00010

ORLEX HC COMPONENT ACETIC ACID, GLACIAL

Q47512

VOSOL HC COMPONENT ACETIC ACID, GLACIAL

Acetic acid, glacial, electronic grade, 99.7%

TRIDESILON COMPONENT ACETIC ACID, GLACIAL

A834671

ACETASOL HC COMPONENT ACETIC ACID, GLACIAL

Acetic acid, >=99.7%, SAJ super special grade

ACETIC ACID, GLACIAL COMPONENT OF BOROFAIR

ACETIC ACID, GLACIAL COMPONENT OF ORLEX HC

ACETIC ACID, GLACIAL COMPONENT OF VOSOL HC

SR-01000944354

ACETIC ACID, GLACIAL COMPONENT OF TRIDESILON

SR-01000944354-1

ACETIC ACID, GLACIAL COMPONENT OF ACETASOL HC

Glacial acetic acid, meets USP testing specifications

InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4

Acetic acid, >=99.7%, suitable for amino acid analysis

Acetic acid, >=99.7%, for titration in non-aqueous medium

Acetic acid, for luminescence, BioUltra, >=99.5% (GC)

Acetic acid, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%

Acetic acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17926)

Glacial acetic acid, United States Pharmacopeia (USP) Reference Standard

Acetic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%

Glacial Acetic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

158461-04-2

2887-46-9

Acetic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.8-100.5%

Microorganism:

Yes

IUPAC name

acetic acid

SMILES

CC(=O)O

Inchi

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

Formula

C₂H₄O₂

PubChem ID

176

Molweight

60.05

LogP

-0.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

acids organic acids

CHEBI-ID

15366

Supernatural-ID

SN0314461

mVOC Specific Details

Boiling Point

Degree	Reference
117.9 °C peer reviewed

Volatilization

The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)

Soil Adsorption

A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)

Vapor Pressure

Pressure	Reference
15.7 mm Hg at 25 deg C /Extrapolated/	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 2640 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 2637 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 2638 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 179743

MS-MS Spectrum 182077

MS-MS Spectrum 182078

MS-MS Spectrum 71 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179744

MS-MS Spectrum 70 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2636 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 179742

MS-MS Spectrum 69 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 182076

MS-MS Spectrum 2635 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 2639 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

1D-NMR-Links

1D NMR Spectrum 2560 - JEOL 90 MHz 1H NMR

1D NMR Spectrum 3258 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 4746

1D NMR Spectrum 1048 - Varian 500 MHz 1H NMR

1D NMR Spectrum 1126 - Bruker 400 MHz 13C NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009174

Massbank Spectrum MSBNK-Keio_Univ-KO000042

Massbank Spectrum MSBNK-Keio_Univ-KO000043

Massbank Spectrum MSBNK-Keio_Univ-KO000044

Massbank Spectrum MSBNK-Keio_Univ-KO000045

Massbank Spectrum MSBNK-Keio_Univ-KO000046

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Zhu et al. 2010
Prokaryota	Staphylococcus Aureus	NA	NA	Zhu et al. 2010
Prokaryota	Burkholderia Cepacia	NA	NA	Thorn et al. 2011
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Thorn et al. 2011
Prokaryota	Neisseria Meningitidis	NA	NA	Allardyce et al. 2006
Prokaryota	Neisseria Meningitidis	NA	NA	Scotter et al. 2006
Prokaryota	Proteus Mirabilis	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Allardyce et al. 2006
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Allardyce et al. 2006
Prokaryota	Staphylococcus Aureus	NA	NA	Thorn et al. 2011
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Prokaryota	Streptococcus Pneumoniae	NA	NA	Allardyce et al. 2006
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Staphylococcus Aureus	NA	NA	Fitzgerald et al. 2021
Prokaryota	Klebsiella Pneumoniae	NA	NA	Rees et al. 2016a
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Bean et al. 2012
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Eukaryota	Aspergillus Fumigatus	NA	NA	Bazemore et al. 2012
Prokaryota	Escherichia Coli	NA	NA	Boots et al. 2014
Prokaryota	Haemophilus Influenzae	NA	NA	Filipiak et al. 2012
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Prokaryota	Streptococcus Pneumoniae	NA	NA	Filipiak et al. 2012
Prokaryota	Staphylococcus Epidermidis		NA	Timm et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Trichoderma Virens	0	NA	Li et al. 2018
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Eukaryota	Trichoderma Virens		NA	Li et al. 2018
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Arthrobacter Nicotinovorans	stimulate growth in Arabidopsis thaliana seedlings depending on inoculum concentration	avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Erwinia Persicina		avocado trees (Persea americana) rhizosphere	Gamboa-Becerra et al. 2022
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Eukaryota	Mortierella Alpina/globalpina		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Mortierella Angusta		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Mortierella Bainieri		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Linnemannia Exigua		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Linnemannia Gamsii		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Mortierella Gemmifera		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Podila Horticola		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Podila Humilis/verticilata		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Linnemannia Hyalina		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Entomortierella Parvispora		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Mortierella Pseudozygospora		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Mortierella Solitaria		isolate from different types of soil in Austria	Telagathoti et al. 2021
Eukaryota	Mortierella Zonata		isolate from different types of soil in Austria	Telagathoti et al. 2021
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Bacillus Velezensis		NA	Riu et al. 2022
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Prokaryota	Bacillus Subtilis	promote biomass production of Arabidopsis thaliana	rhizosphere of Haloxylon ammodendron	He et al. 2023
Prokaryota	Burkholderia Tropica	n/a	NA	Tenorio-Salgado et al. 2013
Prokaryota	Bacillus Sp.	Highly attractive to Mexican fruit flies.	NA	Schulz and Dickschat 2007
Prokaryota	Staphylococcus Sp.	Highly attractive to Mexican fruit flies.	NA	Schulz and Dickschat 2007
Prokaryota	Clostridium Sp.	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Veillonella Sp.	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.	NA	Hinton and Hume 1995
Prokaryota	Bacteroides Fragilis	Reduction of heat resistant spores, prevention of spore formation of Salmonella typhimurium, Salmonella enteritidis, Escherichia coli, Pseudomonas aeroginosa, Clostridium perfringenes and Clostridium difficile.	NA	Hinton and Hume 1995
Eukaryota	Penicillium Aurantiogriseum	n/a	NA	Börjesson et al. 1990
Prokaryota	Bacteroides Bivius	n/a	NA	Wiggins et al. 1985
Prokaryota	Bacteroides Distasonis	n/a	NA	Wiggins et al. 1985
Prokaryota	Bacteroides Ovatus	n/a	NA	Wiggins et al. 1985
Prokaryota	Bacteroides Thetaiotaomicron	n/a	NA	Wiggins et al. 1985
Prokaryota	Bacteroides Vulgatus	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Cadaverum	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Histolyticum	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Tertium	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Bifermentans	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Fallax	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Butyricum	n/a	NA	Wiggins et al. 1985
Prokaryota	Clostridium Sporogenes	n/a	NA	Wiggins et al. 1985
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Prokaryota	Porphyromonas Gingivalis	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Prevotella Loescheii	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Prevotella Intermedia	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Fusobacterium Nucleatum	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Actinobacillus Actinomycetemcomitans	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Capnocytophaga Ochracea	n/a	NA	Kurita-Ochiai et al. 1995
Prokaryota	Escherichia Coli	n/a	NA	Bunge et al. 2008
Prokaryota	Shigella Flexneri	n/a	NA	Bunge et al. 2008
Prokaryota	Salmonella Enterica	n/a	NA	Bunge et al. 2008
Eukaryota	Candida Tropicalis	n/a	NA	Bunge et al. 2008
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Saccharomyces Cerevisiae	n/a	NA	Bruce et al. 2004
Eukaryota	Tuber Excavatum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Muscodor Albus	n/a	NA	Corcuff et al. 2011
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Julak et al. 2003
Prokaryota	Staphylococcus Aureus	n/a	NA	Julak et al. 2003
Prokaryota	Azospirillum Brasilense	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Acinetobacter Baumannii		clinical exudates	Julak et al. 2003
Prokaryota	Actinomyces Europaeus		clinical exudates	Julak et al. 2003
Prokaryota	Actinomyces Naeslundii		clinical exudates	Julak et al. 2003
Prokaryota	Bacteroides Capillosus		clinical exudates	Julak et al. 2003
Prokaryota	Bacteroides Pyogenes		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Difficile		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Perfringens		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Ramosum		clinical exudates	Julak et al. 2003
Prokaryota	Clostridium Septicum		clinical exudates	Julak et al. 2003
Prokaryota	Enterococcus Faecalis		clinical exudates	Julak et al. 2003
Prokaryota	Eubacterium Lentum		clinical exudates	Julak et al. 2003
Prokaryota	Fusobacterium Simiae		clinical exudates	Julak et al. 2003
Prokaryota	Fusobacterium Necrophorum		clinical exudates	Julak et al. 2003
Prokaryota	Lactobacillus Acidophilus		clinical exudates	Julak et al. 2003
Prokaryota	Nocardia Sp.		clinical exudates	Julak et al. 2003
Prokaryota	Peptostreptococcus Anaerobius		clinical exudates	Julak et al. 2003
Prokaryota	Peptostreptococcus Asaccharolyticus		clinical exudates	Julak et al. 2003
Prokaryota	Peptostreptococcus Prevotii		clinical exudates	Julak et al. 2003
Prokaryota	Propionibacterium Acnes		clinical exudates	Julak et al. 2003
Prokaryota	Propionibacterium Propionicum		clinical exudates	Julak et al. 2003
Prokaryota	Proteus Mirabilis		clinical exudates	Julak et al. 2003
Prokaryota	Staphylococcus Epidermidis		clinical exudates	Julak et al. 2003
Prokaryota	Streptococcus Agalactiae		clinical exudates	Julak et al. 2003
Prokaryota	Streptococcus Pyogenes		clinical exudates	Julak et al. 2003
Prokaryota	Streptococcus Viridans		clinical exudates	Julak et al. 2003
Eukaryota	Candida Albicans		clinical exudates	Julak et al. 2003
Prokaryota	Streptococcus Uberis		milk of cows	Hettinga et al. 2008
Prokaryota	Streptococcus Dysgalactiae		milk of cows	Hettinga et al. 2008
Prokaryota	Streptococcus Pneumoniae		clinic	Preti et al. 2009
Prokaryota	Haemophilus Influenzae		clinic	Preti et al. 2009
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Eukaryota	Penicillium Camemberti		NA	Larsen 1998
Eukaryota	Penicillium Caseifulvum		NA	Larsen 1998
Prokaryota	Arthrobacter Agilis	na	rhizosphere of maize plants	Velázquez-Becerra et al. 2011
Prokaryota	Pseudomonas Brassicacearum	reduces mycelium growth and sclerotia germination of Sclerotinia sclerotiorum USB-F593; lyses red blood cells	rhizosphere of bean plants, southern Italy	Giorgio et al. 2015
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Prokaryota	Lactobacillus Rhamnosus	na	Domiati cheese	Pogačić et al. 2016
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Prokaryota	Serratia Sp.	NA	NA	Almeida et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kudriavzevii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Fermentans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Membranifaciens	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Anomala	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Staphylococcus Equorum	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Shi et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Prokaryota	Acetobacter Indonesiensis	NA	NA	Tran et al. 2022
	Lentinula Edodes			Geng et al. 2024
	Lactiplantibacillus Plantarum			Chen et al. 2023
	Lactobacillus Plantarum			Zhang et al. 2023
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Toyonensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023
	Lactobacillus Plantarum			Ma et al. 2023
	Aspergillus Flavus			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	TSB	SESI-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SESI-MS	no
Prokaryota	Burkholderia Cepacia	TYE	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Escherichia Coli	human blood	SIFT-MS	no
Prokaryota	Escherichia Coli	BacT/ALERT FA	SIFT-MS	no
Prokaryota	Escherichia Coli	TYE	SIFT-MS	no
Prokaryota	Neisseria Meningitidis	human blood	SIFT-MS	no
Prokaryota	Proteus Mirabilis	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	human blood	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	human blood	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	TYE	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Streptococcus Pneumoniae	human blood	SIFT-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	human blood	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	lysogeny broth	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Eukaryota	Aspergillus Fumigatus	SDA + Elastin	TD/GC-MS	no
Prokaryota	Escherichia Coli	Mueller–Hinton	TD/GC-MS	no
Prokaryota	Haemophilus Influenzae	Tryptic soya supp. factors X&V	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Prokaryota	Streptococcus Pneumoniae	Tryptic soya	TD/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSA	SPME, GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Virens	PDA plate	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Eukaryota	Trichoderma Virens	potato dextrose agar	SPME, GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media	HS-SPME/GC-MS	no
Prokaryota	Pseudomonas Sp.	LB media, DYGS media	HS-SPME/GC-MS	no
Prokaryota	Arthrobacter Nicotinovorans	LB media	SPME/GC-MS	no
Prokaryota	Erwinia Persicina	LB media	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Eukaryota	Mortierella Alpina/globalpina	PD agar	PTR-ToF-MS	no
Eukaryota	Mortierella Angusta	PD agar	PTR-ToF-MS	no
Eukaryota	Mortierella Bainieri	PD agar	PTR-ToF-MS	no
Eukaryota	Linnemannia Exigua	PD agar	PTR-ToF-MS	no
Eukaryota	Linnemannia Gamsii	PD agar	PTR-ToF-MS	no
Eukaryota	Mortierella Gemmifera	PD agar	PTR-ToF-MS	no
Eukaryota	Podila Horticola	PD agar	PTR-ToF-MS	no
Eukaryota	Podila Humilis/verticilata	PD agar	PTR-ToF-MS	no
Eukaryota	Linnemannia Hyalina	PD agar	PTR-ToF-MS	no
Eukaryota	Entomortierella Parvispora	PD agar	PTR-ToF-MS	no
Eukaryota	Mortierella Pseudozygospora	PD agar	PTR-ToF-MS	no
Eukaryota	Mortierella Solitaria	PD agar	PTR-ToF-MS	no
Eukaryota	Mortierella Zonata	PD agar	PTR-ToF-MS	no
Prokaryota	Staphylococcus Aureus	BHI media, TSB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Bacillus Velezensis	TSA media	SPME/GC-MS	no
Prokaryota	Escherichia Coli	rocket lysate	HS-SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	1/2 MS media	SPME/GC-MS	no
Prokaryota	Burkholderia Tropica	Potato dextrose agar	Headspace trapping/ GC-MS	no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Staphylococcus Sp.	n/a	n/a	no
Prokaryota	Clostridium Sp.	n/a	n/a	no
Prokaryota	Veillonella Sp.	n/a	n/a	no
Prokaryota	Bacteroides Fragilis	n/a	n/a	no
Eukaryota	Penicillium Aurantiogriseum	n/a	n/a	no
Prokaryota	Bacteroides Bivius	n/a	n/a	no
Prokaryota	Bacteroides Distasonis	n/a	n/a	no
Prokaryota	Bacteroides Ovatus	n/a	n/a	no
Prokaryota	Bacteroides Thetaiotaomicron	n/a	n/a	no
Prokaryota	Bacteroides Vulgatus	n/a	n/a	no
Prokaryota	Clostridium Cadaverum	n/a	n/a	no
Prokaryota	Clostridium Histolyticum	n/a	n/a	no
Prokaryota	Clostridium Tertium	n/a	n/a	no
Prokaryota	Clostridium Bifermentans	n/a	n/a	no
Prokaryota	Clostridium Fallax	n/a	n/a	no
Prokaryota	Clostridium Butyricum	n/a	n/a	no
Prokaryota	Clostridium Sporogenes	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Prokaryota	Porphyromonas Gingivalis	n/a	n/a	no
Prokaryota	Prevotella Loescheii	n/a	n/a	no
Prokaryota	Prevotella Intermedia	n/a	n/a	no
Prokaryota	Fusobacterium Nucleatum	n/a	n/a	no
Prokaryota	Actinobacillus Actinomycetemcomitans	n/a	n/a	no
Prokaryota	Capnocytophaga Ochracea	n/a	n/a	no
Prokaryota	Escherichia Coli	n/a	n/a	no
Prokaryota	Shigella Flexneri	n/a	n/a	no
Prokaryota	Salmonella Enterica	n/a	n/a	no
Eukaryota	Candida Tropicalis	n/a	n/a	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Eukaryota	Saccharomyces Cerevisiae	n/a	n/a	no
Eukaryota	Tuber Excavatum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Muscodor Albus	n/a	Headspace sampler/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	VF (peptone, NaCl) and VL broth (casein hydrolysate, yeast extract, beef extract, cysteine, glucose, NaCl)	HS-SPME/GC-MS	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Acinetobacter Baumannii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Actinomyces Europaeus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Actinomyces Naeslundii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Bacteroides Capillosus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Bacteroides Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Difficile	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Perfringens	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Ramosum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Clostridium Septicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Enterococcus Faecalis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Eubacterium Lentum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Fusobacterium Simiae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Fusobacterium Necrophorum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Lactobacillus Acidophilus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Nocardia Sp.	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Peptostreptococcus Anaerobius	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Peptostreptococcus Asaccharolyticus	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Peptostreptococcus Prevotii	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Propionibacterium Acnes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Propionibacterium Propionicum	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Proteus Mirabilis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Staphylococcus Epidermidis	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Streptococcus Agalactiae	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Streptococcus Pyogenes	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Streptococcus Viridans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Eukaryota	Candida Albicans	peptone/casein hydrolysate, yeast extract, beef extract, glucose	GC-FID FSOT NUKOL	yes
Prokaryota	Streptococcus Uberis		GCMS DSQ	no
Prokaryota	Streptococcus Dysgalactiae		GCMS DSQ	no
Prokaryota	Streptococcus Pneumoniae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Haemophilus Influenzae	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Eukaryota	Penicillium Camemberti			no
Eukaryota	Penicillium Caseifulvum			no
Prokaryota	Arthrobacter Agilis	LB medium/NA medium	SPME-GC/MS	no
Prokaryota	Pseudomonas Brassicacearum	King's B Agar	SPME-GC/MS	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Prokaryota	Lactobacillus Rhamnosus	curd-based broth medium	GC/MS	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Prokaryota	Serratia Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kudriavzevii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Fermentans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Membranifaciens	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Anomala	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Staphylococcus Equorum	MOLP	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Staphylococcus Equorum	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Eukaryota	Wickerhamomyces Anomalus	medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)	SPME with GC-MS	no
Eukaryota	Wickerhamomyces Anomalus	solid-state fermentation starter culture Daqu	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Prokaryota	Acetobacter Indonesiensis	sugared green and black tea	HS-SPME-GC/MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Toyonensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no
	Aspergillus Flavus	inoculated potato samples	GC-MS	no

3,4-dihydroxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names

3,4-DIHYDROXYBENZOIC ACID

protocatechuic acid

99-50-3

Protocatehuic acid

4-Carboxy-1,2-dihydroxybenzene

protocatechuate

4,5-Dihydroxybenzoic acid

Benzoic acid, 3,4-dihydroxy-

3,4-dihydroxybenzoate

CCRIS 6291

protocatechuicacid

EINECS 202-760-0

UNII-36R5QJ8L4B

MFCD00002509

NSC 16631

BRN 1448841

36R5QJ8L4B

DTXSID4021212

CHEBI:36062

PROTOCATECHOIC ACID

NSC-16631

Catechol-4-carboxylic Acid

3, 4-Dihydroxybenzoic acid

CHEMBL37537

MLS000737807

DTXCID601212

FEMA NO. 4430

PROTOCATECHUIC ACID (PCA)

DIHYDROXYBENZOIC ACID, 3,4-

1ykp

DROXIDOPA METABOLITE (PROTOCATECHOIC ACID)

3,4-Dihydroxy Benzoic Acid

NSC16631

DB03946

SMR000528167

C00230

D-3487

Hypogallic acid

b-Resorcylate

beta-Resorcylate

ProtocatechicAcid

b-resorcylic acid

4fht

Protacatechuic Acid

ZINCSELENITE

Carbohydroquinonic acid

cid_72

Protocatechuic Acid,(S)

Protocatechuic acid (M1)

bmse000328

3,4-dihydroxy-benzoic acid

3,4-dihydroxybenzoic acid (protocatechuic acid)

SCHEMBL39435

3,4-Dihydroxybenzoate, VIII

Pyrocatechol-4-carboxylic Acid

PROTOCATECHUIC ACID [MI]

HMS2270A17

KUC104409N

HY-N0294

Tox21_200167

BBL012232

BDBM50100861

s3975

STL163570

AKOS000119632

AC-9617

CCG-207950

CS-6092

KSC-10-128

MCULE-8964889860

CAS-99-50-3

NCGC00246757-01

NCGC00246757-02

NCGC00257721-01

3,4-DIHYDROXYBENZOIC ACID [INCI]

AS-10808

SY014104

DB-021903

AM20060767

NS00014667

3,4-Dihydroxybenzoic acid, >=97.0% (T)

EN300-21544

3,4-Dihydroxybenzoic acid, analytical standard

F11285

3,4-dihydroxybenzoate;3,4-Dihydroxybenzoic acid

A846038

AE-562/40524392

Q418599

976C8CCE-B25D-4E0A-9A6F-3CEEA7A6964F

Z104501142

3,4-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97%

PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE)

Protocatechuic acid, primary pharmaceutical reference standard

PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE) [DSC]

Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11

1225528-47-1

Microorganism:

IUPAC name

3,4-dihydroxybenzoic acid

SMILES

C1=CC(=C(C=C1C(=O)O)O)O

Inchi

InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)

Formula

C₇H₆O₄

PubChem ID

Molweight

154.12

LogP

1.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

acids aromatic compounds carboxylic acids phenols benzenoids organic acids

CHEBI-ID

36062

Supernatural-ID

SN0457823

mVOC Specific Details

MS-Links

MS-MS Spectrum 21286

MS-MS Spectrum 22831

MS-MS Spectrum 201774

MS-MS Spectrum 1723 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 22836

MS-MS Spectrum 22829

MS-MS Spectrum 1724 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5492 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative

MS-MS Spectrum 225781

MS-MS Spectrum 1725 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 21278

MS-MS Spectrum 5488 - EI-B (HITACHI M-52) Positive

1D-NMR-Links

1D NMR Spectrum 1758 - Varian 500 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007231

Massbank Spectrum MSBNK-Kazusa-KZ000068

Massbank Spectrum MSBNK-Osaka_Univ-OUF00045

Massbank Spectrum MSBNK-RIKEN_ReSpect-PM000402

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS032807

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT203280

Massbank Spectrum MSBNK-RIKEN-PR010227

Massbank Spectrum MSBNK-RIKEN-PR100601

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Agaricus Bisporus	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Ostreatus	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Eryngii	na	northeast Portugal	Reis et al. 2012
Eukaryota	Lentinula Edodes	na	northeast Portugal	Reis et al. 2012
Eukaryota	Agaricus Bisporus	na	Korea	Kim et al. 2008
Eukaryota	Flammulina Velutipes	na	Korea	Kim et al. 2008
Eukaryota	Lentinus Edodes	na	Korea	Kim et al. 2008
Eukaryota	Agaricus Blazei	na	Korea	Kim et al. 2008
Eukaryota	Sparassis Crispa	na	Korea	Kim et al. 2008
Eukaryota	Ganoderma Lucidum	na	Korea	Kim et al. 2008
Eukaryota	Inonotus Obliquus	na	Korea	Kim et al. 2008
Eukaryota	Phellinus Linteus	na	Korea	Kim et al. 2008
Eukaryota	Meripilus Giganteus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Laetiporus Sulphureus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Coriolus Versicolor	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Ganoderma Applanatum	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Panus Tigrinus	scavenging ability	Fruska Gora low mountain chain, northern Serbia	Karaman et al. 2010
Eukaryota	Cordyceps Sinensis	scavengers of peroxy radicals	Serbian pharmacies	Stilinović et al. 2014
Eukaryota	Coprinus Comatus	scavengers of peroxy radicals	Serbian pharmacies	Stilinović et al. 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Agaricus Bisporus	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Ostreatus	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Eryngii	MMN-medium	HPLC/PAD	yes
Eukaryota	Lentinula Edodes	MMN-medium	HPLC/PAD	yes
Eukaryota	Agaricus Bisporus	na	HPLC	yes
Eukaryota	Flammulina Velutipes	na	HPLC	yes
Eukaryota	Lentinus Edodes	na	HPLC	yes
Eukaryota	Agaricus Blazei	na	HPLC	yes
Eukaryota	Sparassis Crispa	na	HPLC	yes
Eukaryota	Ganoderma Lucidum	na	HPLC	yes
Eukaryota	Inonotus Obliquus	na	HPLC	yes
Eukaryota	Phellinus Linteus	na	HPLC	yes
Eukaryota	Meripilus Giganteus	na	HPLC	yes
Eukaryota	Laetiporus Sulphureus	na	HPLC	yes
Eukaryota	Coriolus Versicolor	na	HPLC	yes
Eukaryota	Ganoderma Applanatum	na	HPLC	yes
Eukaryota	Panus Tigrinus	na	HPLC	yes
Eukaryota	Cordyceps Sinensis	na	LC-MS/MS	yes
Eukaryota	Coprinus Comatus	na	LC-MS/MS	yes

4-hydroxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names

4-HYDROXYBENZOIC ACID

99-96-7

p-Hydroxybenzoic acid

4-Carboxyphenol

p-Salicylic acid

Benzoic acid, 4-hydroxy-

para-Hydroxybenzoic acid

Benzoic acid, p-hydroxy-

p-carboxyphenol

Paraben-acid

4-Hydroxybenzoesaeure

p-Oxybenzoesaure

Kyselina 4-hydroxybenzoova

p-Oxybenzoesaure [German]

4-Hydroxybenzoicacid

NSC 4961

PHBA

parahydroxybenzoic acid

Acido p-idrossibenzoico

4-hydroxy-benzoic acid

Hydroxybenzoic acid

HSDB 7233

Acido p-idrossibenzoico [Italian]

Kyselina 4-hydroxybenzoova [Czech]

EINECS 202-804-9

UNII-JG8Z55Y12H

CCRIS 8812

JG8Z55Y12H

DTXSID3026647

CHEBI:30763

HYDROXYBENZOIC ACID, PARA

p-hydroxy benzoic acid

AI3-01003

p-hydroxy-Benzoic acid

NSC-4961

Benzoic acid, 4-hydroxy

Hydroxybenzenecarboxylic acid

4-HBA

CHEMBL441343

DTXCID806647

FEMA NO. 3986

EC 202-804-9

MFCD00002547

3pcc

3pch

4-hydroxy-benzoate

4-hydroxy benzoic acid

Benzoic acid, p-hydroxy

WLN: QVR DQ

PHB

CAS-99-96-7

NSC4961

SALICYLIC ACID IMPURITY A (EP IMPURITY)

SALICYLIC ACID IMPURITY A [EP IMPURITY]

DB04242

NCGC00166040-01

ACETYLSALICYLIC ACID IMPURITY A (EP IMPURITY)

ACETYLSALICYLIC ACID IMPURITY A [EP IMPURITY]

PROPYL HYDROXYBENZOATE IMPURITY A (EP IMPURITY)

PROPYL HYDROXYBENZOATE IMPURITY A [EP IMPURITY]

METHYL PARAHYDROXYBENZOATE IMPURITY A (EP IMPURITY)

METHYL PARAHYDROXYBENZOATE IMPURITY A [EP IMPURITY]

C00156

p-Salicylate

AE-848/32195059

p-hydroxy-Benzoate

4-hydoxybenzoic acid

4-hyroxybenzoic acid

phenol derivative, 8

4-hydroxylbenzoic acid

4-Hydroxy-benzoesaeure

4-hydroxybenzoi c acid

PHLORETIN_met004

4-hydroxyl benzoic acid

4-Hydroxybenzoate, III

AVOBENZONE_met002

para-hydroxy benzoic acid

bmse000092

bmse000583

SCHEMBL4110

BIDD:ER0706

4-Hydroxybenzenecarboxylic acid

p-Hydroxybenzoic Acid, Reagent

BDBM26194

P-HYDROXYBENZOIC ACID [MI]

CS-D1180

HY-Y0264

STR01287

Tox21_202342

Tox21_303301

AC-008

BBL011981

s3754

STL138745

4-HYDROXYBENZOIC ACID [FHFI]

4-HYDROXYBENZOIC ACID [HSDB]

4-HYDROXYBENZOIC ACID [INCI]

4-Hydroxybenzoic acid, >=99%, FG

AKOS000119033

AM87513

CCG-266143

MCULE-1367764897

NCGC00166040-02

NCGC00257058-01

NCGC00259891-01

H0207

NS00005418

4-Hydroxybenzoic acid, ReagentPlus(R), 99%

EN300-21461

D86505

4-Hydroxybenzoic acid, ReagentPlus(R), >=99%

4-Hydroxybenzoic acid, puriss., >=99.0% (T)

A858402

Q229970

46DD083D-BFD3-4CE1-B2D9-6C6D5FEFD3D9

J-660066

W-100004

4-Hydroxybenzoic acid, Vetec(TM) reagent grade, 99%

2-3-4'-TRIHYDROXY-4-METHOXYBENZOPHENONE_met005

F2191-0237

Z104498098

2-3-DIHYDROXY-4-METHOXY-4'-ETHOXYBENZOPHENONE_met009

4-Hydroxybenzoic acid, certified reference material, TraceCERT(R)

4-Hydroxybenzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10

30729-36-3

Microorganism:

Yes

IUPAC name

4-hydroxybenzoic acid

SMILES

C1=CC(=CC=C1C(=O)O)O

Inchi

InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)

Formula

C₇H₆O₃

PubChem ID

135

Molweight

138.12

LogP

1.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

acids aromatic compounds phenols carboxylic acids alcohols benzenoids organic acids

CHEBI-ID

30763

Supernatural-ID

SN0087363

mVOC Specific Details

Boiling Point

Degree	Reference
334 median

Volatilization

The Henry's Law constant for 4-hydroxybenzoic acid is estimated as 7.2X10-12 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 1.9X10-7 mm Hg(1), and water solubility, 5000 mg/L(2). This Henry's Law constant indicates that 4-hydroxybenzoic acid is expected to be essentially nonvolatile from water surfaces(3). 4-Hydroxybenzoic acid's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). In addition, 4-hydroxybenzoic acid's pKa value of 4.54(4) indicates that it will exist almost entirely as an anion at pH values of 5 to 9 and therefore volatilization from water and moist soil surfaces is not expected to be an important fate process(SRC). 4-Hydroxybenzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5:196-200 (1960) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 377 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Bykova LN et al; Zh Obshch Khim 40: 2295-300 (1970)

Soil Adsorption

Koc values of 142, 20, and 14 were measured according to a modified version of OECD guideline 106 for 4-hydroxybenzoic acid in a podzol (pH=2.8, C organic=4.85%, sand:silt:clay=89.2:8.2:2.6%), alfisol (pH=6.7, C organic=1.25%, sand:silt:clay=69.7:14.4:15.9%), and a sediment (pH=7.1, C organic=1.58%, sand:silt:clay=5.5:58.8:35.7%), respectively(1). According to a classification scheme(2), these Koc values suggest that 4-hydroxybenzoic acid is expected to have high to very high mobility in soil. The pKa of 4-hydroxybenzoic acid is 4.54(3), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(4).
Literature: (1) Vonoepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bykova LN et al; Zh Obshch Khim 40: 2295-300 (1970) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Vapor Pressure

Pressure	Reference
1.9X10-7 mm Hg at 25 deg C /Extrapolated/	Jones AH; J Chem Eng Data 5: 196-200 (1960)

MS-Links

MS-MS Spectrum 4118 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 4115 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 4111 - EI-B (HITACHI M-68) Positive

MS-MS Spectrum 181719

MS-MS Spectrum 4114 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 201353

MS-MS Spectrum 4117 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 201351

MS-MS Spectrum 181720

MS-MS Spectrum 718 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4122 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive

MS-MS Spectrum 201352

MS-MS Spectrum 4112 - EI-B (HITACHI M-60) Positive

MS-MS Spectrum 717 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4116 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 179393

MS-MS Spectrum 716 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4124 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative

MS-MS Spectrum 4113 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 179392

MS-MS Spectrum 181721

MS-MS Spectrum 4123 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive

MS-MS Spectrum 179391

1D-NMR-Links

1D NMR Spectrum 1394 - Varian 500 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-BAFG-CSL2311091423

Massbank Spectrum MSBNK-BAFG-CSL2311091424

Massbank Spectrum MSBNK-BAFG-CSL2311091425

Massbank Spectrum MSBNK-BAFG-CSL2311091426

Massbank Spectrum MSBNK-BAFG-CSL2311091427

Massbank Spectrum MSBNK-BAFG-CSL2311091428

Massbank Spectrum MSBNK-BAFG-CSL2311091429

Massbank Spectrum MSBNK-BAFG-CSL2311091430

Massbank Spectrum MSBNK-BAFG-CSL2311091431

Massbank Spectrum MSBNK-BAFG-CSL2311091432

Massbank Spectrum MSBNK-BAFG-CSL2311091433

Massbank Spectrum MSBNK-BAFG-CSL2311091434

Massbank Spectrum MSBNK-BAFG-CSL2311091435

Massbank Spectrum MSBNK-BAFG-CSL2311091436

Massbank Spectrum MSBNK-BAFG-CSL2311091437

Massbank Spectrum MSBNK-BAFG-CSL2311094200

Massbank Spectrum MSBNK-BAFG-CSL2311094201

Massbank Spectrum MSBNK-BAFG-CSL2311094202

Massbank Spectrum MSBNK-BAFG-CSL2311094203

Massbank Spectrum MSBNK-BAFG-CSL2311094204

Massbank Spectrum MSBNK-BAFG-CSL2311094205

Massbank Spectrum MSBNK-BAFG-CSL2311094206

Massbank Spectrum MSBNK-BGC_Munich-RP011901

Massbank Spectrum MSBNK-BGC_Munich-RP011902

Massbank Spectrum MSBNK-BGC_Munich-RP011903

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003521

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008414

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009473

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010315

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010824

Massbank Spectrum MSBNK-GL_Sciences_Inc-GLS00140

Massbank Spectrum MSBNK-Kazusa-KZ000178

Massbank Spectrum MSBNK-Keio_Univ-KO000963

Massbank Spectrum MSBNK-Keio_Univ-KO000964

Massbank Spectrum MSBNK-Keio_Univ-KO000965

Massbank Spectrum MSBNK-Keio_Univ-KO000966

Massbank Spectrum MSBNK-Keio_Univ-KO000967

Massbank Spectrum MSBNK-MetaboLights-ML001751

Massbank Spectrum MSBNK-Osaka_Univ-OUF00425

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS032107

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS032108

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS104007

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS104008

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT103210

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT110400

Massbank Spectrum MSBNK-RIKEN_ReSpect-PT203210

Massbank Spectrum MSBNK-RIKEN-PR010226

Massbank Spectrum MSBNK-RIKEN-PR100187

Massbank Spectrum MSBNK-RIKEN-PR100417

Massbank Spectrum MSBNK-RIKEN-PR100596

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Rahnella Aquatilis		isolate from the rhizosphere soil of a 28-year-old Pinus massoniana in Nanning, Guangxi; stored in the typical Culture Preservation Center of China	Kong et al. 2020
Eukaryota	Ganoderma Lucidum	na	northeast Portugal	Heleno et al. 2012
Eukaryota	Agaricus Bisporus	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Ostreatus	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Eryngii	na	northeast Portugal	Reis et al. 2012
Eukaryota	Lentinula Edodes	na	northeast Portugal	Reis et al. 2012
Eukaryota	Sparassis Crispa	na	Korea	Kim et al. 2008
Eukaryota	Inonotus Obliquus	na	Korea	Kim et al. 2008
Eukaryota	Phellinus Linteus	na	Korea	Kim et al. 2008
Eukaryota	Cordyceps Sinensis	scavengers of peroxy radicals	Serbian pharmacies	Stilinović et al. 2014
Eukaryota	Coprinus Comatus	scavengers of peroxy radicals	Serbian pharmacies	Stilinović et al. 2014

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Rahnella Aquatilis	LB media	HS-SPME/GC-MS	yes
Eukaryota	Ganoderma Lucidum	solid MMN culture medium, liquid MMN culture medium, PDA culture medium	HPLC-DAD-MS	yes
Eukaryota	Agaricus Bisporus	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Ostreatus	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Eryngii	MMN-medium	HPLC/PAD	yes
Eukaryota	Lentinula Edodes	MMN-medium	HPLC/PAD	yes
Eukaryota	Sparassis Crispa	na	HPLC	yes
Eukaryota	Inonotus Obliquus	na	HPLC	yes
Eukaryota	Phellinus Linteus	na	HPLC	yes
Eukaryota	Cordyceps Sinensis	na	LC-MS/MS	yes
Eukaryota	Coprinus Comatus	na	LC-MS/MS	yes

(E)-3-phenylprop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names

CINNAMIC ACID

TRANS-CINNAMIC ACID

140-10-3

621-82-9

3-Phenylacrylic acid

(E)-Cinnamic acid

trans-3-Phenylacrylic acid

Phenylacrylic acid

(E)-3-phenylprop-2-enoic acid

Zimtsaeure

E-Cinnamic Acid

3-Phenylpropenoic acid

trans-Cinnamate

2-Propenoic acid, 3-phenyl-, (2E)-

(2E)-3-phenylprop-2-enoic acid

3-phenylprop-2-enoic acid

Cinnamic acid, (E)-

Cinnamylic acid

trans-beta-Carboxystyrene

(2E)-3-Phenyl-2-propenoic acid

beta-Phenylacrylic acid

(E)-cinnamate

Benzeneacrylic acid

trans-3-Phenyl-2-propenoic acid

3-Phenyl-2-propenoic acid

Benzenepropenoic acid

FEMA No. 2288

CCRIS 3190

2-Propenoic acid, 3-phenyl-, (E)-

(E)-3-Phenyl-2-propenoic acid

t-Cinnamic acid

EINECS 205-398-1

MFCD00004369

NSC 44010

Benzylideneacetic acid

UNII-U14A832J8D

BRN 1905952

CINNAMIC ACIDUM

AI3-23709

Cinnamic acid, trans-

Kyselina skoricove

PhCH=CHCO2H

Acidum cinnamylicum

U14A832J8D

(2E)-2-Phenyl-2-propenoic acid

PHENYLETHYLENECARBOXYLIC ACID

NSC-9189

NSC-44010

Cinnamic acid(only trans)

NSC-623441

Heparin, lithium salt

(2E)-3-phenylacrylic acid

CHEMBL27246

Cinnamic acid (natural)

DTXSID5022489

CHEBI:27386

CHEBI:35697

NSC 9189

cinnamate

4-09-00-02002 (Beilstein Handbook Reference)

NCGC00165979-01

352431-48-2

EINECS 210-708-3

BRN 0507757

AI3-00891

CINNAMIC ACID (MART.)

CINNAMIC ACID [MART.]

DTXCID002489

CINNAMIC ACID (USP-RS)

CINNAMIC ACID [USP-RS]

(E)-3-phenylprop-2-enoate

CAS-140-10-3

.beta.-Phenylacrylic acid

343338-31-8

(E)-3-Phenylacrylic acid

DTXSID40110056

trans-Zimtsaeure

NSC 623441

trans cinnamic acid

cinnamic acid, (trans)-(E)-isomer

5-Thiazolamine?HCl

b-Phenylacrylic acid

Cinnamic acid, E-

Cinnamic Acid Natural

Cinnamic Acid1511

trans-b-Carboxystyrene

Cinnamicacid(onlytrans)

trans-3-Phenylacrylate

(E)-3-Phenylacrylate

E-3-phenylpropenoic acid

Trans-Cinnamic Acid,(S)

bmse000124

CINNAMIC ACID [MI]

SCHEMBL1332

trans-.beta.-Carboxystyrene

trans-Cinnamic acid, 97%

trans-Cinnamic acid, 99%

WLN: QV1U1R

(E)-3-phenyl-acrylic acid

3-phenyl-2E-propenoic acid

CINNAMIC ACID [FCC]

Zimtsaeure | trans-Cinnamate

CINNAMIC ACID [FHFI]

CINNAMIC ACID [INCI]

trans-3-Phenyl-2-propenoate

BIDD:ER0586

tert-.beta.-Phenylacrylic acid

trans-Cinnamic acid, >=99%

(2E)-2-Phenyl-2-propenoate

(2E)-3-Phenyl-2-propenoate

GTPL3203

CINNAMIC ACID [WHO-DD]

DTXCID9065316

BDBM16430

HY-N0610A

NSC9189

NSC44010

STR00363

trans-Cinnamic acid, >=99%, FG

Tox21_112279

Tox21_302137

BBL036895

NSC623441

s3677

STK286093

AKOS000118871

CCG-214473

CS-W020005

trans-Cinnamic acid, analytical standard

NCGC00165979-04

NCGC00165979-06

NCGC00255114-01

1ST40140

AC-34658

AS-75479

BP-20203

3-Phenylacrylic acid; -Phenylacrylic acid

DB-003797

DB-215130

C3412

NS00001286

EN300-19599

trans-Cinnamic acid, purum, >=99.0% (T)

C00423

D70605

EN300-306004

AB00374254-03

trans-cinnamic acid (trans-3-phenylacrylic acid)

trans-Cinnamic Acid [Matrix for MALDI-TOF/MS]

A833631

Q164785

SR-05000002380

trans-Cinnamic acid, natural, >=99%, FCC, FG

Q-100150

SR-05000002380-1

W-105037

F2191-0134

trans-Cinnamic Acid Zone Refined (number of passes:40)

trans-Cinnamic acid; Phenylacrylic acid;Cinnamylic acid

Z104474406

1BE36587-A165-4142-9340-18FFE3E03426

CINNAMIC ACID (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]

Cinnamic acid, United States Pharmacopeia (USP) Reference Standard

TRANS-CINNAMIC ACID (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]

InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6

Microorganism:

Yes

IUPAC name

(E)-3-phenylprop-2-enoic acid

SMILES

C1=CC=C(C=C1)C=CC(=O)O

Inchi

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Formula

C₉H₈O₂

PubChem ID

444539

Molweight

148.16

LogP

2.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

acids benzenoids carboxylic acids aromatic compounds organic acids

CHEBI-ID

27386

Supernatural-ID

SN0406189-02

mVOC Specific Details

Boiling Point

Degree	Reference
298 median

MS-Links

MS-MS Spectrum 179668

MS-MS Spectrum 201728

MS-MS Spectrum 4932 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative

MS-MS Spectrum 4925 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative

MS-MS Spectrum 4926 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative

MS-MS Spectrum 182001

MS-MS Spectrum 1325 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179667

MS-MS Spectrum 182003

MS-MS Spectrum 4924 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative

MS-MS Spectrum 1324 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4927 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative

MS-MS Spectrum 4928 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative

MS-MS Spectrum 201727

MS-MS Spectrum 201729

MS-MS Spectrum 4931 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive

MS-MS Spectrum 179669

MS-MS Spectrum 182002

MS-MS Spectrum 1326 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 5018

1D NMR Spectrum 1609 - Varian 500 MHz 1H NMR

1D NMR Spectrum 2933 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 2238 - JEOL 400 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N109828_B8BB

Massbank Spectrum MSBNK-BGC_Munich-RP018301

Massbank Spectrum MSBNK-BGC_Munich-RP018302

Massbank Spectrum MSBNK-BGC_Munich-RP018303

Massbank Spectrum MSBNK-BGC_Munich-RP018311

Massbank Spectrum MSBNK-BGC_Munich-RP018312

Massbank Spectrum MSBNK-Kazusa-KZ000090

Massbank Spectrum MSBNK-Keio_Univ-KO000401

Massbank Spectrum MSBNK-Keio_Univ-KO000402

Massbank Spectrum MSBNK-Keio_Univ-KO000403

Massbank Spectrum MSBNK-Keio_Univ-KO000404

Massbank Spectrum MSBNK-Keio_Univ-KO000405

Massbank Spectrum MSBNK-RIKEN-PR010191

Massbank Spectrum MSBNK-RIKEN-PR100060

Massbank Spectrum MSBNK-RIKEN-PR100513

Massbank Spectrum MSBNK-RIKEN-PR303321

Massbank Spectrum MSBNK-RIKEN-PR303323

Massbank Spectrum MSBNK-RIKEN-PR303325

Massbank Spectrum MSBNK-RIKEN-PR303328

Massbank Spectrum MSBNK-RIKEN-PR303330

Massbank Spectrum MSBNK-RIKEN-PR303332

Massbank Spectrum MSBNK-RIKEN-PR303335

Massbank Spectrum MSBNK-RIKEN-PR303337

Massbank Spectrum MSBNK-RIKEN-PR303339

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Bjerkandera Adusta	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Stereum Subpileatum		NA	Birkinshaw et al. 1957
Eukaryota	Ganoderma Lucidum	na	northeast Portugal	Heleno et al. 2012
Eukaryota	Agaricus Bisporus	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Ostreatus	na	northeast Portugal	Reis et al. 2012
Eukaryota	Pleurotus Eryngii	na	northeast Portugal	Reis et al. 2012
Eukaryota	Lentinula Edodes	na	northeast Portugal	Reis et al. 2012
Eukaryota	Agaricus Blazei	na	Korea	Kim et al. 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Bjerkandera Adusta	n/a	n/a	no
Prokaryota	Stereum Subpileatum			no
Eukaryota	Ganoderma Lucidum	solid MMN culture medium, liquid MMN culture medium, PDA culture medium	HPLC-DAD-MS	yes
Eukaryota	Agaricus Bisporus	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Ostreatus	MMN-medium	HPLC/PAD	yes
Eukaryota	Pleurotus Eryngii	MMN-medium	HPLC/PAD	yes
Eukaryota	Lentinula Edodes	MMN-medium	HPLC/PAD	yes
Eukaryota	Agaricus Blazei	na	HPLC	yes

Oxolan-2-one

Mass-Spectra

Compound Details

Synonymous names

gamma-Butyrolactone

96-48-0

dihydrofuran-2(3H)-one

BUTYROLACTONE

4-Butyrolactone

4-Butanolide

1,4-Butanolide

2-Oxolanone

4-Hydroxybutyric acid lactone

4-Deoxytetronic acid

Butyrylactone

2(3H)-Furanone, dihydro-

Dihydro-2(3H)-furanone

1,2-Butanolide

Butyryl lactone

Butyric acid lactone

oxolan-2-one

Tetrahydro-2-furanone

BLON

gamma-BL

4-Hydroxybutanoic acid lactone

Dihydro-2-furanone

g-Butyrolactone

1,4-Lactone

Agrisynth BLO

gamma-Hydroxybutyric acid lactone

gamma-Hydroxybutyrolactone

2-Oxotetrahydrofuran

.gamma.-Butyrolactone

NCI-C55878

gamma-6480

gama-Butyrolactone

GBL

FEMA No. 3291

1-Oxacyclopentan-2-one

gamma Butyrolactone

NSC 4592

gamma-Butanolactone

gamma-Butyrolactone-13C4

gamma-Hydroxybutyric Acid cyclic ester

1,4-Butyrolactone

.gamma.-BL

Butyric acid, 4-hydroxy-, gamma-lactone

.gamma.-6480

BLO

.gamma.-Hydroxybutyrolactone

OL659KIY4X

DTXSID6020224

CHEBI:42639

.gamma.-Hydroxybutyric acid lactone

NSC-4592

4-Hydroxybutyric acid, .gamma.-lactone

.gamma.-Hydroxybutyric acid cyclic ester

4-Hydroxybutanoic acid, .gamma.-lactone

Gammabutyrolactone (GBL)

DTXCID80224

No Go

Caswell No. 132B

gamma-Butalactone

gamma-butyrolacton

Paint Clean G

CAS-96-48-0

31213-03-3

gamma-Butyryllactone

gamma-Butyrolactone (natural)

CCRIS 2924

gamma-Butyrolactone; GBL; Gammabutyrolactone

tetrahydrofuran-2-one

HSDB 4290

EINECS 202-509-5

UNII-OL659KIY4X

EPA Pesticide Chemical Code 122303

Revivarant

Remforce

4 Hydroxybutyric Acid Lactone

Butanoic acid, 4-hydroxy-, gamma-lactone

g-Butalactone

4-butanolactone

AI3-28121

g-Butyryllactone

GH Revitalizer

Blue Nitro

gammabutyrolactone

tetrahydrofuranone

4-Deoxytetronate

C-1070

Dihyro-2-furanone

dihydrofuran-2-one

gamma-butyro-lactone

NIH 10540

dihydro-furan-2-one

.alpha.-Butyrolactone

.gamma.-Butanolactone

2(3H)-dihydrofuranone

1-Oxacyclopentane-2-one

WLN: T5OVTJ

BUTYROLACTONE [MI]

EC 202-509-5

BUTYROLACTONE [INCI]

BUTYROLACTONE [VANDF]

Dynasolve 699 (Salt/Mix)

g-Hydroxybutyric acid lactone

CHEMBL95681

Dihydro-(3 H)-furan-2-one

Butyric acid, .gamma.-lactone

BUTYROLACTONE [WHO-DD]

GTPL5462

Butanoic acid, .gamma.-lactone

4,5-Dihydro-2(3H)-furanone

GAMMA-BUTYROLACTONE [FCC]

NSC4592

2,3,4,5-Tetrahydro-2-furanone

4-hydroxy-Butanoic acid g-lactone

GAMMA-BUTYROLACTONE [HSDB]

GAMMA-BUTYROLACTONE [IARC]

Gamma-Lactone 4-hydroxybutyric acid

.gamma.-Hydrooxybutyric acid lactone

gamma-Butyrolactone, >=99% (GC)

Tox21_200490

Tox21_300188

Gamma-Lactone 4-hydroxy-butyric acid

Gamma-Lactone 4-hydroxybutanoic acid

LBG 11785

LMFA07040004

MFCD00005386

STL281877

.GAMMA.-BUTYROLACTONE [FHFI]

AKOS000119924

Gamma-Lactone 4-hydroxy-butanoic acid

DB04699

MCULE-6795890265

gamma-Butyrolactone, analytical standard

NCGC00247920-01

NCGC00247920-02

NCGC00253913-01

NCGC00258044-01

Butyric acid, 4-hydroxy-, .gamma.-lactone

A4867

B0767

Butanoic acid, 4-hydroxy-, .gamma.-lactone

NS00003450

gamma-Butyrolactone, ReagentPlus(R), >=99%

C01770

gamma-Butyrolactone, puriss., >=99.0% (GC)

Q79739

gamma-Butyrolactone, SAJ first grade, >=99.5%

4-Hydroxybutanoic acid lactone, >=98%, FCC, FG

GBL (gamma-Butyrolactone), 10mg/ml in Acetonitrile

GBL (gamma-Butyrolactone), 1mg/ml in Acetonitrile

GBL (gamma-Butyrolactone), 50mg/ml in Acetonitrile

J-513020

J-520327

Q-200482

gamma-Butyrolactone (GBL) 1.0 mg/ml in Acetonitrile

GBL (gamma-Butyrolactone), 100mg/ml in Acetonitrile

InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H

BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE

Microorganism:

Yes

IUPAC name

oxolan-2-one

SMILES

C1CC(=O)OC1

Inchi

InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2

Formula

C₄H₆O₂

PubChem ID

7302

Molweight

86.09

LogP

-0.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

esters lactones

CHEBI-ID

42639

Supernatural-ID

SN0448137

mVOC Specific Details

Boiling Point

Degree	Reference
204 °C peer reviewed

Volatilization

The Henry's Law constant for butyrolactone is estimated as 5.3X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.45 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that butyrolactone is expected to be essentially nonvolatile from water surfaces(3). Butyrolactone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not likely to occur(SRC). Butyrolactone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.45 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Chemical Compound Data for Process Safety p. 35 (1997) (2) O'Neil MJ, ed; The Merck Index. 14th ed. Whitehouse Station, NJ: Merck and Co., Inc. pp. 259-60 (2006) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of butyrolactone is estimated as 11(SRC), using a log Kow of -0.64(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butyrolactone is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 9 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc p. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
4.5X10-1 mm Hg at 25 deg C	Yaws CL; Handbook of Chemical Compound Data for Process Safety p. 35 (1997)

MS-Links

MS-MS Spectrum 181932

MS-MS Spectrum 179603

MS-MS Spectrum 4190 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 181933

MS-MS Spectrum 4188 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 181934

MS-MS Spectrum 775 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 4189 - EI-B (JEOL JMS-D-3000) Positive

MS-MS Spectrum 773 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179601

MS-MS Spectrum 179602

MS-MS Spectrum 774 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 1416 - Varian 500 MHz 1H NMR

1D NMR Spectrum 3427 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 2734 - JEOL 400 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001809

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004933

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008724

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Prokaryota	Staphylococcus Aureus	NA	NA	Fitzgerald et al. 2021
Prokaryota	Escherichia Coli	NA	NA	Devaraj et al. 2018
Eukaryota	Tuber Aestivum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Prokaryota	Stigmatella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Loktanella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Dinoroseobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Xanthomonas Campestris	Diffusible factor (DF) regulates the production of pigments (xanthomonadins) and extracellular polysaccarides.	NA	Ryan and Dow 2008
Prokaryota	Streptomyces Sp.	Diffusible factor (DF) regulates the production of pigments (xanthomonadins) and extracellular polysaccarides.	NA	Ryan and Dow 2008
Eukaryota	Fusarium Graminearum	n/a	NA	Busko et al. 2014
Eukaryota	Fusarium Graminearum		NA	Busko et al. 2014
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
	Lentinula Edodes			Geng et al. 2024
	Aspergillus Flavus			Kate et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Candida Albicans	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSA	TD/GC-MS	no
Eukaryota	Tuber Aestivum	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Prokaryota	Stigmatella Sp.	n/a	n/a	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Dinoroseobacter Sp.	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Xanthomonas Campestris	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Eukaryota	Fusarium Graminearum	yeast extract sucrose agar	SPME/GC-MS	no
Eukaryota	Fusarium Graminearum			no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Aspergillus Flavus	inoculated potato samples	GC-MS	no

1-hydroxypropan-2-one

Mass-Spectra

Compound Details

Synonymous names

Hydroxyacetone

116-09-6

Acetol

1-hydroxypropan-2-one

Acetone alcohol

2-Propanone, 1-hydroxy-

1-Hydroxy-2-propanone

1-Hydroxyacetone

Acetylmethanol

ACETYLCARBINOL

Methanol, acetyl-

2-Oxopropanol

Hydroxypropanone

Hydroxy-2-propanone

Methylketol

Pyruvinalcohol

Pyruvic alcohol

monohydroxyacetone

2-Ketopropyl alcohol

1-hydroxy-propan-2-one

7I7YM0835W

MFCD00004669

NSC-102497

Hydroxymethyl methyl ketone

EINECS 204-124-8

NSC 102497

BRN 0605368

hydroxy acetone

hydroxy-acetone

UNII-7I7YM0835W

hydroxyl acetone

hydroxyl-acetone

AI3-37788

2-proponol

hydroxypropan-2-one

1-Hydroxyacetone #

1-Hydroxy-2-acetone

1-oxidanylpropan-2-one

CH3COCH2OH

ACETOL [MI]

CH3C(O)CH2OH

WLN: Q1V1

Hydroxyacetone, >=95%, FG

DTXSID8051590

FEMA NO. 4462

CHEBI:27957

XLSMFKSTNGKWQX-UHFFFAOYSA-

HY-Y1366

BBL011436

NSC102497

STL146544

AKOS000269101

MCULE-2989526028

s12357

DB-003685

CS-0017823

H0388

NS00020257

EN300-20541

C05235

A803556

J-003383

Q20236702

F0001-0286

InChI=1/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

Hydroxyacetone contains =500 ppm sodium carbonate as stabilizer

Hydroxyacetone, contains <=500 ppm sodium carbonate as stabilizer, technical grade, 90%

Microorganism:

Yes

IUPAC name

1-hydroxypropan-2-one

SMILES

CC(=O)CO

Inchi

InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

Formula

C₃H₆O₂

PubChem ID

8299

Molweight

74.08

LogP

-0.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols ketones

CHEBI-ID

27957

Supernatural-ID

SN0433645

mVOC Specific Details

Boiling Point

Degree	Reference
145 median

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004268

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007023

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Fumigatus	NA	NA	Neerincx et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Aureus	n/a	NA	Preti et al. 2009
Prokaryota	Lactobacillus Paracasei	na	na	Pogačić et al. 2016
Prokaryota	Enterobacter Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Fumigatus	SDB + chloramphenicol	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Lactobacillus Paracasei	curd-based broth medium	GC/MS	yes
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

3-hydroxybutan-2-one

Mass-Spectra

Compound Details

Synonymous names

acetoin

3-hydroxy-2-butanone

513-86-0

3-hydroxybutan-2-one

acetylmethylcarbinol

Dimethylketol

Acetyl methyl carbinol

2-Butanone, 3-hydroxy-

2,3-Butanolone

2-Hydroxy-3-butanone

1-Hydroxyethyl methyl ketone

Methanol, acetylmethyl-

Acetoin (natural)

gamma-Hydroxy-beta-oxobutane

3-hydroxyl-2-butanone

FEMA No. 2008

CCRIS 2918

HSDB 974

.gamma.-Hydroxy-.beta.-oxobutane

DL-Acetoin

NSC 7609

2-Acetoin

2-Butanol-3-one

AI3-03314

(+/-)-Acetoin

2-hydroxy-3-oxobutane

BG4D34CO2H

51555-24-9

DTXSID0024399

(+/-)-3-Hydroxybutan-2-one

NSC-7609

MFCD00004521

Acethoin

Butan-2-ol-3-one

EINECS 208-174-1

UN2621

UNII-BG4D34CO2H

1-Hydroxethyl methyl ketone

acetoine

BRN 0385636

acetylmethyl-

beta-oxobutane

2-Butanone, 3-hydroxy-, (R)-

b-oxobutane

Acetoin dimer

3-Oxo-2-butanol

ACETOIN MONOMER

DI-METHYLKETOL

Methanol, acetylmethyl

3-hydroxy-2-oxobutane

2-butanone, 3-hydroxy

3-hydroxy-butan-2-one

ACETOIN (DIMER)

Acetoin (~90%)

ACETOIN [FHFI]

ACETOIN [HSDB]

3-hydroxy-butane-2-one

ACETOIN [MI]

ACETOIN (MONOMER)

Acetoin, analytical standard

Butan-2-one, 3-hydroxy-

Acetoin, >=96%, natural

2-01-00-00870 (Beilstein Handbook Reference)

BUTAN-2-0L-3-ONE

DTXCID304399

ACETOIN (DIMER) [FCC]

CHEMBL3561873

CHEBI:15688

ACETOIN (MONOMER) [FCC]

NSC7609

Acetoin, natural, >=95%, FG

ACETOIN(MAY INCLUDE DIMER)

Acetoin, >=96%, FCC, FG

(S)-3-HYDROXY-2-BUTANONE

NSC89727

Tox21_302518

LMFA12000020

NSC-89727

AKOS000121293

AKOS017278202

MCULE-5374414264

UN 2621

2-Butanone, 3-hydroxy- (8CI,9CI)

Acetoin, May exist as crystalline dimer

Acetoin (may exist as crystalline dimer)

NCGC00256914-01

2-Butanone, 3-hydroxy-, (.+/-.)-

CAS-513-86-0

PD124062

3-Hydroxybutan-2-one (may include dimer)

DB-003392

H0225

NS00011932

EN300-21639

C00466

D93492

Q223083

Q-200581

Acetyl methyl carbinol [UN2621] [Flammable liquid]

2,3,5,6- TETRAMETHYL-1,4-DIOXANE-2,5-DIOL

F0001-1338

Microorganism:

Yes

IUPAC name

3-hydroxybutan-2-one

SMILES

CC(C(=O)C)O

Inchi

InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3

Formula

C₄H₈O₂

PubChem ID

179

Molweight

88.11

LogP

-0.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols ketones

CHEBI-ID

15688

Supernatural-ID

SN0331260

mVOC Specific Details

Boiling Point

Degree	Reference
148 °C peer reviewed

Volatilization

The Henry's Law constant for acetoin is estimated as 1.0X0-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that acetoin is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 28 days(SRC). Acetoin's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetoin is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

Soil Adsorption

The Koc of acetoin is estimated as 2(SRC), using a water solubility of 1.0X10+6 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that aetoin is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL DATABASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
2.7X10+0 at 25 deg C /Estimated/	US EPA; Estimation Program Interface (EPI) Suite. Ver.3.11. June 10, 2003. Available from, as of Mar 15, 2005: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

MS-Links

MS-MS Spectrum 13740

MS-MS Spectrum 2219 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5865 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 7069

MS-MS Spectrum 2218 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2220 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 4163

1D NMR Spectrum 3890

1D NMR Spectrum 1939 - Bruker 600 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009143

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Burkholderia Cepacia	NA	NA	Thorn et al. 2011
Prokaryota	Burkholderia Cepacia	NA	NA	Dryahina et al. 2016
Prokaryota	Escherichia Coli	NA	NA	Thorn et al. 2011
Prokaryota	Proteus Mirabilis	NA	NA	Thorn et al. 2011
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Dryahina et al. 2016
Prokaryota	Staphylococcus Aureus	NA	NA	Dryahina et al. 2016
Prokaryota	Stenotrophomonas Maltophilia	NA	NA	Dryahina et al. 2016
Prokaryota	Streptococcus Pyogenes	NA	NA	Thorn et al. 2011
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Fitzgerald et al. 2021
Prokaryota	Staphylococcus Aureus	NA	NA	Fitzgerald et al. 2021
Prokaryota	Klebsiella Pneumoniae	NA	NA	Rees et al. 2016a
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
Prokaryota	Streptococcus Pneumoniae	NA	NA	Mellors et al. 2018
Prokaryota	Escherichia Coli	NA	NA	Dixon et al. 2022
Prokaryota	Staphylococcus Aureus	NA	NA	Zechman et al. 1986
Prokaryota	Staphylococcus Aureus	NA	NA	Filipiak et al. 2012
Prokaryota	Staphylococcus Epidermidis		clinical isolate,catheter	Lemfack et al. 2016
Prokaryota	Staphylococcus Haemolyticus		clinical isolate,human skin	Lemfack et al. 2016
Prokaryota	Staphylococcus Saccharolyticus		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Schleiferi		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Warneri		clinical isolate,human skin	Lemfack et al. 2016
Prokaryota	Erwinia Amylovora		NA	Cellini et al. 2018
Prokaryota	Escherichia Coli		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Listeria Monocytogenes		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Shigella Flexneri		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Staphylococcus Aureus		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Bacillus Sp.		KX395632.1	Fincheira et al. 2017
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Prokaryota	Bacillus Amyloliquefaciens	Inhibition of fusarium oxysporum f.sp. Niveum; fresh weight of Arabidopsis seedlings increased	rhizosphere soils of watermelon plants	Wu et al. 2019
Prokaryota	Bacillus Amyloliquefaciens	0	rhizosphere soils of watermelon plants	Wu et al. 2019
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Prokaryota	Bacillus Subtilis	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Pseudomonas Fluorescens	antibacterial activity against growth of Ralstonia solanacearum	Plant Bacteriology Lab, Division of Plant Pathology, Indian Council of Agricultural Research - Indian Agricultural Research Institute, New Delhi	Kashyap et al. 2022
Prokaryota	Bacillus Tequilensis	antifungal activity against the hyphae growth of Ceratocystis fimbriata	rhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016	Xu et al. 2021
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Prokaryota	Bacillus Amyloliquefaciens	stimulate growth of Solanum tuberosum	commercial strain	Heenan-Daly et al. 2021
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Staphylococcus Aureus		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Staphylococcus Epidermidis		strains were provided by Prof. O'Gara at NUI Galway	Fitzgerald et al. 2020
Prokaryota	Bacillus Sp.	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	NA	López et al. 2021
Prokaryota	Bacillus Amyloliquefaciens		NA	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Mülner et al. 2020
Prokaryota	Bacillus Velezensis	growth stimulation effects on Solanum tuberosum tubers (potato) and Zea mays seeds (maize)	NA	Mülner et al. 2020
Prokaryota	Bacillus Velezensis		NA	Mülner et al. 2020
Prokaryota	Bacillus Pumilus		NA	Mülner et al. 2020
Eukaryota	Fusarium Oxysporum		NA	Moisan et al. 2021
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 103	NA	Calvo et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 112	NA	Calvo et al. 2020
Prokaryota	Staphylococcus Aureus		National Collections of Industrial Food and Marine Bacteria, American Type Culture Collection, Southmead Hospital	Slade et al. 2022
Eukaryota	Grosmannia Clavigera		Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta	Wang et al. 2020
Eukaryota	Ophiostoma Ips		isolated from bark beetle galleries in lodgepole pine	Wang et al. 2020
Prokaryota	Bacillus Subtilis	promote biomass production of Arabidopsis thaliana	rhizosphere of Haloxylon ammodendron	He et al. 2023
Prokaryota	Collimonas Fungivorans	n/a	NA	Garbeva et al. 2014
Prokaryota	Collimonas Pratensis	n/a	NA	Garbeva et al. 2014
Prokaryota	Serratia Sp.	n/a	NA	Bruce et al. 2004
Eukaryota	Tuber Melanosporum	n/a	Agricultural Centre of Castilla and LeÃƒÂ³n Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).	Diaz et al. 2003
Eukaryota	Laccaria Bicolor	n/a	NA	Mueller et al. 2013
Eukaryota	Paxillus Involutus	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Prokaryota	Staphylococcus Aureus	n/a	NA	Preti et al. 2009
Prokaryota	Staphylococcus Epidermidis		DSMZ	Verhulst et al. 2010
Prokaryota	Staphylococcus Sciuri	na	from the gut flora of pea aphid Acyrthosiphon pisum honeydew	Leroy et al. 2011
Prokaryota	Bacillus Subtilis	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Bacillus Amyloliquefaciens	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Lactobacillus Rhamnosus	na	na	Pogačić et al. 2016
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Tuber Borchii	na	na	Splivallo and Ebeler 2015
Eukaryota	Tuber Indicum		T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Bacillus Cereus	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Graminis	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Tropica	n/a	NA	Blom et al. 2011
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Limnobacter Thiooxidans	n/a	NA	Blom et al. 2011
Prokaryota	Pandoraea Norimbergensis	n/a	NA	Blom et al. 2011
Prokaryota	Pseudomonas Chlororaphis	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Entomophila	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Marcescens	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Plymuthica	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Eukaryota	Candida Shehatae		cacti, fruits, insects, natural habitats	Nout and Bartelt 1998
Prokaryota	Enterobacter Agglomerans		NA	Robacker and Lauzon 2002
Prokaryota	Bacillus Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Enterobacter Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Klebsiella Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Serratia Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Staphylococcus Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	It is an attractant to Anastrepha ludens (Diptera).	NA	Schulz and Dickschat 2007
Eukaryota	Boletus Variegatus	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Clostridium Sp.	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Bacillus Subtilis	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.	NA	Ryu et al. 2003
Prokaryota	Bacillus Amyloliquefaciens	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.	NA	Ryu et al. 2003
Prokaryota	Lactobacillus Casei	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactobacillus Plantarum	n/a	NA	Tracey and Britz 1989
Prokaryota	Pediococcus Damnosus	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Cremoris	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Dextranicum	n/a	NA	Tracey and Britz 1989
Prokaryota	Lactococcus Lactis	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Mesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Leuconostoc Paramesenteroides	n/a	NA	Tracey and Britz 1989
Prokaryota	Oenococcus Oeni	n/a	NA	Tracey and Britz 1989
Eukaryota	Trichoderma Viride	n/a	NA	Hung et al. 2013
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Prokaryota	Staphylococcus Aureus	n/a	NA	Hettinga et al. 2008
Prokaryota	Streptococcus Uberis	n/a	NA	Hettinga et al. 2008
Prokaryota	Coagulase-negative Staphylococci	n/a	NA	Hettinga et al. 2008
Prokaryota	Azospirillum Brasilense	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Escherichia Coli	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Streptococcus Dysgalactiae		milk of cows	Hettinga et al. 2008
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Eukaryota	Fusarium Verticillioides		NA	Dickschat et al. 2011
Prokaryota	Bacillus Amyloliquefaciens	na	na	Asari et al. 2016
Prokaryota	Paenibacillus Polymyxa		collection TU Graz	Rybakova et al. 2017
Eukaryota	Verticillium Longisporum		collection TU Graz	Rybakova et al. 2017
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Fructicola	NA	NA	Ljunggren et al. 2019
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Aureobasidium Pullulans	NA	NA	Mozūraitis et al. 2022
Eukaryota	Cryptococcus Wieringae	NA	NA	Mozūraitis et al. 2022
Eukaryota	Hanseniaspora Uvarum	NA	NA	Mozūraitis et al. 2022
Eukaryota	Pichia Kluyveri	NA	NA	Mozūraitis et al. 2022
Eukaryota	Saccharomyces Paradoxus	NA	NA	Mozūraitis et al. 2022
Eukaryota	Torulaspora Delbrueckii	NA	NA	Mozūraitis et al. 2022
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Mozūraitis et al. 2022
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Peribacillus Sp.	NA	NA	Toral et al. 2021
Prokaryota	Pseudomonas Segetis	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
Prokaryota	Lactobacillus Plantarum	NA	NA	Zhang et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
Eukaryota	Meyerozyma Guilliermondii	NA	NA	Zhao et al. 2022
Eukaryota	Saturnispora Diversa	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
Eukaryota	Phytophthora Cinnamomi	N/A	Phytophthora cinnamomi	Qiu R et al. 2014
Eukaryota	Phytophthora Plurivora	N/A	Phytophthora plurivora	Loulier et al. 2020
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024
	Lactiplantibacillus Plantarum			Chen et al. 2023
	Lactobacillus Plantarum			Zhang et al. 2023
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Bacillus Toyonensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023
	Enterobacter Agglomerans			Tallon et al. 2023
	Saccharomyces Cerevisiae			Peng et al. 2023
	Staphylococcus Aureus			Wang et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Burkholderia Cepacia	TYE	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	MHB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	NB	SIFT-MS	no
Prokaryota	Burkholderia Cepacia	BHI	SIFT-MS	no
Prokaryota	Escherichia Coli	TYE	SIFT-MS	no
Prokaryota	Proteus Mirabilis	TYE	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	MHB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	NB	SIFT-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	MHB	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SIFT-MS	no
Prokaryota	Staphylococcus Aureus	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	MHB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	NB	SIFT-MS	no
Prokaryota	Stenotrophomonas Maltophilia	BHI	SIFT-MS	no
Prokaryota	Streptococcus Pyogenes	TYE	SIFT-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Pseudomonas Aeruginosa	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	BHI	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	LB	SPME/GC-MS	no
Prokaryota	Klebsiella Pneumoniae	human blood	SPME/GCxGC-MS	no
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
Prokaryota	Streptococcus Pneumoniae	Modified Lacks Media	SPME/GCxGC-MS	no
Prokaryota	Escherichia Coli	LB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB	TD/GC-MS	no
Prokaryota	Staphylococcus Aureus	tryptic soy broth	TD/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Haemolyticus	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Saccharolyticus	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Schleiferi	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Warneri	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Erwinia Amylovora	Luria-Bertani (LB)	PTR-MS / SPME / GC-MS	no
Prokaryota	Escherichia Coli	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Listeria Monocytogenes	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Shigella Flexneri	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Bacillus Sp.	Plate Count agar (PCA)	GC–MS	yes
Prokaryota	Bacillus Sp.	Methyl Red & Voges Proskauer broth (MRVP-B)	SPME, GC-MS	yes
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	modified Murashige-Skoog (MS) culture medium	SPME-GC-MS	no
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Prokaryota	Bacillus Subtilis	LB agar	GC-MS	no
Prokaryota	Pseudomonas Fluorescens	LB agar	GC-MS	no
Prokaryota	Bacillus Tequilensis	LB media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, TSA media	HS-SPME/GC-MS	no
Prokaryota	Paenibacillus Polymyxa	NA media, LB media, TSA media, Landy media	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media, M+S (Murashige and Skoog) media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Prokaryota	Staphylococcus Aureus	TSB media	HS-SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	TSB media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Sp.	TYB media	GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Velezensis	nutrient agar	HS-SPME/GC-MS	no
Prokaryota	Bacillus Pumilus	nutrient agar	HS-SPME/GC-MS	no
Eukaryota	Fusarium Oxysporum	1/5th PDA medium	GC-MS	no
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Staphylococcus Aureus	TS agar/blood agar	HS-SPME/GC-MS	no
Eukaryota	Grosmannia Clavigera	PDA media	GC-MS	no
Eukaryota	Ophiostoma Ips	PDA media	GC-MS	no
Prokaryota	Bacillus Subtilis	1/2 MS media	SPME/GC-MS	no
Prokaryota	Collimonas Fungivorans	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Collimonas Pratensis	sand supplemented with artificial root exudates	Headspace trapping/GC-MS	no
Prokaryota	Serratia Sp.	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	Headspace solid-phase microextraction (HS-SPME) combined with GC-MS	no
Eukaryota	Laccaria Bicolor	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Paxillus Involutus	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Prokaryota	Staphylococcus Aureus	Blood agar/chocolate blood aga	HS-SPME/GC-MS	no
Prokaryota	Staphylococcus Epidermidis	CLSA, charcoal, GC-MS		no
Prokaryota	Staphylococcus Sciuri	867 liquid medium	SPME-GC/MS	no
Prokaryota	Bacillus Subtilis	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Bacillus Amyloliquefaciens	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Lactobacillus Rhamnosus	curd-based broth medium	GC/MS	yes
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Tuber Borchii	na	SPME-GC/MS/O); GC-R	yes
Eukaryota	Tuber Indicum			yes
Prokaryota	Bacillus Cereus	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Graminis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Tropica	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Chromobacterium Violaceum	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Limnobacter Thiooxidans	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pandoraea Norimbergensis	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Pseudomonas Chlororaphis	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Entomophila	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Marcescens	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Plymuthica	MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	LB, MR-VP and MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	MR-VP and LB	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Eukaryota	Candida Shehatae	yeast malt agar	SPME, GC-MS	yes
Prokaryota	Enterobacter Agglomerans			no
Prokaryota	Bacillus Sp.	n/a	n/a	no
Prokaryota	Enterobacter Sp.	n/a	n/a	no
Prokaryota	Klebsiella Sp.	n/a	n/a	no
Prokaryota	Staphylococcus Sp.	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Eukaryota	Boletus Variegatus	n/a	n/a	no
Prokaryota	Clostridium Sp.	n/a	n/a	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Amyloliquefaciens	n/a	n/a	no
Prokaryota	Lactobacillus Casei	n/a	n/a	no
Prokaryota	Lactobacillus Plantarum	n/a	n/a	no
Prokaryota	Pediococcus Damnosus	n/a	n/a	no
Prokaryota	Leuconostoc Cremoris	n/a	n/a	no
Prokaryota	Leuconostoc Dextranicum	n/a	n/a	no
Prokaryota	Lactococcus Lactis	n/a	n/a	no
Prokaryota	Leuconostoc Mesenteroides	n/a	n/a	no
Prokaryota	Leuconostoc Paramesenteroides	n/a	n/a	no
Prokaryota	Oenococcus Oeni	n/a	n/a	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Staphylococcus Aureus	Milk	HS-SPME/GC-MS	no
Prokaryota	Streptococcus Uberis	Milk	HS-SPME/GC-MS	no
Prokaryota	Coagulase-negative Staphylococci	Milk	HS-SPME/GC-MS	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Prokaryota	Streptococcus Dysgalactiae		GCMS DSQ	no
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Eukaryota	Fusarium Verticillioides			no
Prokaryota	Bacillus Amyloliquefaciens	M9A	GC/MS	no
Prokaryota	Paenibacillus Polymyxa		GC-MS / SPME	no
Eukaryota	Verticillium Longisporum	potato dextrose agar (PDA), Czapek Dox liquid culture	GC-MS / SPME	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Fructicola	liquid YPD medium	GC-MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Aureobasidium Pullulans	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Cryptococcus Wieringae	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Hanseniaspora Uvarum	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Pichia Kluyveri	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Saccharomyces Paradoxus	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Torulaspora Delbrueckii	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)	SPME-GC-MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Atrophaeus	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Peribacillus Sp.	MOLP	HS-SPME-GC/MS	no
Prokaryota	Pseudomonas Segetis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	tryptic soy agar (TSA, Panreac Applichem) medium	HS-SPME-GC/MS	no
Prokaryota	Lactobacillus Plantarum	chickpea milk	UHPLC/MS	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
Eukaryota	Meyerozyma Guilliermondii	synthetic grape juice	HS-SPME	no
Eukaryota	Saturnispora Diversa	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
Eukaryota	Phytophthora Cinnamomi	Potato Dextrose Agar,V8 juice agar	SPME/GC-MS/MS	no
Eukaryota	Phytophthora Plurivora	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Lactiplantibacillus Plantarum	fermentation of ginkgo kernel juice	GC-IMS	no
	Lactobacillus Plantarum	Habanero pepper	GC–IMS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Toyonensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Enterobacter Agglomerans	tryptone soya broth (TSB) media	SPME/GC/MS	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no
	Staphylococcus Aureus	raw Shiyang chicken	HS-GC-IMS/HS-SPME-GC-MS	no

Methyl Furan-2-carboxylate

Mass-Spectra

Compound Details

Synonymous names

Methyl 2-furoate

611-13-2

Methyl furan-2-carboxylate

Methyl pyromucate

Methyl 2-furancarboxylate

METHYL FUROATE

2-Furancarboxylic acid, methyl ester

METHYL-2-FUROATE

2-(Methoxycarbonyl)furan

2-FUROIC ACID, METHYL ESTER

Pyromucic acid methyl ester

Methyl 2-furylcarboxylate

2-Furancarboxylic Acid Methyl Ester

Furoic acid, methyl ester

FEMA No. 2703

Furancarboxylic acid, methyl ester

2-Furoic acid methyl ester

NSC 35551

MFCD00003236

O9A8D29YDE

furan-2-carboxylic acid methyl ester

NSC-35551

methyl2-furoate,

CCRIS 2158

EINECS 210-254-6

UNII-O9A8D29YDE

BRN 0111110

AI3-23585

2-methyl furate

Methyl alpha-furoate

Methyl 2-furoate ,

METHYL2-FUROATE

Methyl .alpha.-furoate

Furoic acid methyl ester

Methylfuran-2-carboxylate

methyl uran-2-carboxylate

Methyl 2-furoate, 98%

WLN: T5OJ BVO1

METHYL FUROATE [FCC]

5-18-06-00103 (Beilstein Handbook Reference)

METHYL FUROATE [FHFI]

SCHEMBL363937

METHYL 2-FUROATE [MI]

DTXSID7060598

FEMA 2703

CHEBI:167081

Methyl 2-furoate, >=98%, FG

HY-Y0949

NSC35551

2-furan carboxylic acid methyl ester

s5636

STK397389

AKOS000120062

CCG-266097

CS-W020101

MCULE-5445948487

Methyl 2-furoate, natural, 99%, FG

Furan-alpha-carboxylic acid methyl ester

AS-14803

Furan-.alpha.-carboxylic acid methyl ester

DB-003714

AM20100488

F0075

NS00012896

EN300-15493

D78223

Q-100703

Q22083556

Z19719727

F0001-1604

Microorganism:

Yes

IUPAC name

methyl furan-2-carboxylate

SMILES

COC(=O)C1=CC=CO1

Inchi

InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3

Formula

C₆H₆O₃

PubChem ID

11902

Molweight

126.11

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

aromatic compounds esters ethers furan derivatives heterocyclic compounds

CHEBI-ID

167081

Supernatural-ID

SN0122567

mVOC Specific Details

Boiling Point

Degree	Reference
181 median

MS-Links

1D-NMR-Links

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007744

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009048

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Mycobacterium Tuberculosis	NA	NA	Nawrath et al. 2012
Prokaryota	Loktanella Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007
Eukaryota	Armillaria Mellea	n/a	NA	Mueller et al. 2013
Eukaryota	Pholiota Squarrosa	n/a	NA	Mueller et al. 2013
Eukaryota	Verticillium Longisporum	n/a	NA	Mueller et al. 2013
Eukaryota	Stropharia Rugosoannulata	n/a	NA	Mueller et al. 2013
Eukaryota	Trichoderma Viride	n/a	NA	Mueller et al. 2013
Prokaryota	Salinispora Tropica	na	marine sediment	Groenhagen et al. 2016
Prokaryota	Loktanella Sp.	n/a	NA	Dickschat et al. 2005_4
Eukaryota	Metschnikowia Lopburiensis	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Hawaiiensis	NA	NA	Ljunggren et al. 2019
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Mycobacterium Tuberculosis	7H11	GC-MS	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no
Eukaryota	Armillaria Mellea	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Pholiota Squarrosa	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Verticillium Longisporum	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Stropharia Rugosoannulata	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Eukaryota	Trichoderma Viride	Melin-Nor krans synthetic medium (modified)	Headspace trapping ( using stir bar sorptive extraction )/ GC-MS	no
Prokaryota	Salinispora Tropica	seawater-based A1	GC/MS	no
Eukaryota	Metschnikowia Lopburiensis	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Hawaiiensis	liquid YPD medium	GC-MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

Oxolane

Compound Details

Synonymous names

TETRAHYDROFURAN

109-99-9

Oxolane

Furanidine

Furan, tetrahydro-

Butylene oxide

Hydrofuran

Tetramethylene oxide

Oxacyclopentane

1,4-Epoxybutane

Tetrahydrofuranne

Tetraidrofurano

Tetrahydrofuraan

Tetrahydrofurane

Cyclotetramethylene oxide

THF

tetrahydro-furan

Butane, 1,4-epoxy-

Cyclotetramethylene

RCRA waste number U213

24979-97-3

NCI-C60560

NSC 57858

Butane .alpha.,.delta.-oxide

Butane alpha,delta-oxide

3N8FZZ6PY4

DTXSID1021328

CHEBI:26911

MFCD00005356

NSC-57858

Tetrahydrofuran, anhydrous

Agrisynth THF

tetrahydofurane

Tetrahydrofuraan [Dutch]

Tetraidrofurano [Italian]

Butane, alpha,delta-oxide

Tetrahydrofuranne [French]

Tetrahydrofuran, Spectrophotometric Grade

CCRIS 6276

HSDB 125

EINECS 203-726-8

UN2056

RCRA waste no. U213

Tetrahydrofuran(Stabilized)

UNII-3N8FZZ6PY4

terahydrofuran

terahydrofurane

terahyrofuran

tetrahydofuran

tetrahydorfuran

tetrahyrdofuran

tetrahyrofuran

tetraliydrofuran

tetra hydrofuran

tetra-hydrofuran

tetrahy-drofuran

tetrahydro furan

tetrahydrof uran

tetrahydrofu ran

tetrahydrofura n

tetrahydrofuran-

AI3-07570

tet-rahydrofurane

tetra-hydrofurane

tetrahydro furane

tetrahydro-furane

tetrahydrofurane-

Tetrahydrofuran, contains 250 ppm BHT as inhibitor, ACS reagent, >=99.0%

tetra hydro-furan

tetra- hydrofuran

tetrahydro- furan

Butane a,d-oxide

Butane,4-epoxy-

Dynasolve 150

Tetrahydrofuran ACS

1,4-epoxy-Butane

c0019

tetrahydrofuran solvent

THF (tetrahydrofuran)

Tetrahydrofuran, 99%

Tetrahydrofuran, Biograde

WLN: T5OTJ

EC 203-726-8

TETRAHYDROFURAN [MI]

Tetrahydrofuran Ultra LC-MS

Tetrahydrofuran, ACS reagent

Tetrahydrofuran, >=99.5%

TETRAHYDROFURAN [HSDB]

TETRAHYDROFURAN [IARC]

Tetrahydrofuran, p.a., 99%

CHEMBL276521

DTXCID501328

TETRAHYDROFURAN [USP-RS]

Diethylene oxide 1,4-Epoxybutane

Tetrahydrofuran, UV, HPLC Grade

AMY11079

NSC57858

Tetrahydrofuran, analytical standard

Tox21_201026

STL264218

AKOS000119982

MCULE-3873245085

UN 2056

Tetrahydrofuran, for HPLC, >=99.9%

NCGC00090740-01

NCGC00090740-02

NCGC00258579-01

BP-30232

CAS-109-99-9

Tetrahydrofuran, anhydrous, inhibitor free

Tetrahydrofuran, purum, >=99.0% (GC)

DB-038044

NS00009145

T0104

T0856

T2394

EN300-21322

Tetrahydrofuran, SAJ first grade, >=99.0%

Tetrahydrofuran, Selectophore(TM), >=99.5%

Tetrahydrofuran [UN2056] [Flammable liquid]

Tetrahydrofuran HPLC grade stabilized with BHT

Tetrahydrofuran, JIS special grade, >=99.5%

Tetrahydrofuran, HPLC grade stabilized with BHT

A802124

InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H

Q278332

Tetrahydrofuran, for HPLC, contains No stabilizer

Tetrahydrofuran, inhibitor-free, purification grade

Tetrahydrofuran, puriss. p.a., >=99.9% (GC)

J-002358

Tetrahydrofuran, for luminescence, >=99.5% (GC)

Tetrahydrofuran, inhibitor-free, for HPLC, =99.9%

Tetrahydrofuran, anhydrous, >=99.9%, inhibitor-free

Tetrahydrofuran, for HPLC, >=99.9%, inhibitor-free

Tetrahydrofuran, inhibitor-free, for HPLC, >=99.9%

Tetrahydrofuran, anhydrous stabilized, Max. water 20ppm

Tetrahydrofuran, anhydrous stabilized, Max. water 25ppm

Tetrahydrofuran, HPLC grade, >=99.9%, inhibitor-free

Tetrahydrofuran, non-UV, HPLC grade stabilized with BHT

Tetrahydrofuran, biotech. grade, >=99.9%, Inhibitor-free

Tetrahydrofuran, for amino acid analysis, without stabilizer

Tetrahydrofuran, p.a., 99%, contains 200-300 ppm BHT

Tetrahydrofuran, HPLC, UV-IR, isocratic grade, unstabilized

Tetrahydrofuran, anhydrous, inhibitor-free, ZerO2(TM), >=99.9%

Tetrahydrofuran, AR, contains 250 ppm BHT as stabilizer, 99.5%

Tetrahydrofuran, LR, contains 250 ppm BHT as stabilizer, >=99%

Tetrahydrofuran, spectrophotometric grade, >=99.5%, inhibitor-free

Tetrahydrofuran, ACS reagent, >=99.0%, contains 250 ppm BHT as inhibitor

Tetrahydrofuran, anhydrous, >=99.9%, contains 250 ppm BHT as inhibitor

Tetrahydrofuran, anhydrous, contains 250 ppm BHT as inhibitor, >=99.9%

Tetrahydrofuran, anhydrous, contains 250 ppm BHT as stabilizer, >=99.5%

Tetrahydrofuran, UV HPLC spectroscopic, 99.8%, contains 200-300 ppm BHT

Tetrahydrofuran, Pharmaceutical Secondary Standard; Certified Reference Material

Tetrahydrofuran, ReagentPlus(R), >=99.0%, contains 250 ppm BHT as inhibitor

Tetrahydrofuran, absolute, over molecular sieve (H2O <=0.005%), contains ~0.025% 2,6-di-tert-butyl-4-methylphenol as stabilizer, >=99.5% (GC)

Tetrahydrofuran, contains 250 ppm BHT as inhibitor, puriss. p.a., ACS reagent, Reag. Ph. Eur., >=99.9%

Tetrahydrofuran, Vetec(TM) reagent grade, anhydrous, contains 100 ppm BHT as inhibitor, >=99.8%

Microorganism:

Yes

IUPAC name

oxolane

SMILES

C1CCOC1

Inchi

InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2

Formula

C₄H₈O

PubChem ID

8028

Molweight

72.11

LogP

0.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

cyclic ethers heterocyclic compounds ethers

CHEBI-ID

26911

Supernatural-ID

SN0423682

mVOC Specific Details

Boiling Point

Degree	Reference
65 °C peer reviewed

Volatilization

The Henry's Law constant for tetrahydrofuran is 7.05X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that tetrahydrofuran is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 13 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6.6 days(SRC). Tetrahydrofuran's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Tetrahydrofuran is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 162 mm Hg(3).

Soil Adsorption

Koc values of 23 and 18 were determined for tetrahydrofuran using a zero headspace extractor vessel in Captina silt loam (pH = 4.97, organic carbon = 1.49%) and McLaurin sandy loam (pH = 4.43, organic carbon = 0.66%), respectively(1). According to a classification scheme(2), these measured Koc values suggest that tetrahydrofuran is expected to have very high mobility in soil(SRC). A retardation factor of 1.0 was measured for tetrahydrofuran in a ground water system in Indiana(3). A retardation factor of 2.2, based on plume length, was measured for tetrahydrofuran in an aquifer beneath a landfill in Ottawa, Ontario, Canada(4). A column packed with aquifer material was used to measure a retardation factor of 1.2 for tetrahydrofuran(5).

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001795

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008949

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009296

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Davis et al. 2020
	Lentinula Edodes			Geng et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	LB broth	SPME/GCxGC-MS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no

Butane-2,3-diol

Mass-Spectra

Compound Details

Synonymous names

2,3-butanediol

513-85-9

Butane-2,3-diol

2,3-butylene glycol

2,3-Dihydroxybutane

Dimethylene glycol

Dimethylethylene glycol

Pseudobutylene glycol

Sym-dimethylethylene glycol

DL-2,3-Butanediol

123513-85-9

MFCD00004523

DTXSID8041321

CHEBI:62064

(2S,3S)-(+)2,3-Butanediol

NISTC6982258

2,3-Butanediol, (R*,R*)-(.+/-.)-

2,3-butanodiol

35007-63-7

Butan-2,3-diol

CCRIS 5501

HSDB 1505

EINECS 208-173-6

BRN 0969165

2,3-Butanediol; >98%

UNII-45427ZB5IJ

(+/-)-2,3-BUTANEDIOL

NSC-249246

2.3-butanediol

2,3-butane diol

butane 2,3-diol

2,3-Butandiol

a 2,3-butanediol

2d-Pharmalyte(9ci)

a butane-2,3-diol

dimethyl ethyleneglycol

2,3-dihydroxy butane

2,3-dihydroxy-butane

D-2,3-Butane diol

dimethyl ethylene glycol

levo-butane-2,3-diol

meso-2,3-butane diol

a 2,3-butylene glycol

2,3-Butanediol (DL)

2,3-Butanediol, 98%

DL-2,3-BUTANDIOL

EC 208-173-6

4-01-00-02524 (Beilstein Handbook Reference)

CHEMBL2312529

DTXCID6021321

45427ZB5IJ

(2R,3R)-(-)2,3-Butanediol

Tox21_300789

NSC249246

AKOS009031391

SB44226

SB44692

NCGC00248169-01

NCGC00254693-01

CAS-513-85-9

SY047189

SY057405

DB-027533

DB-243178

DB-335823

HY-128387

B0681

CS-0099502

NS00077458

S6040

EN300-19321

F14836

2,3-Butanediol, Vetec(TM) reagent grade, 98%

Q209157

METHYL5-ACETYL-3-ETHYLISOXAZOLE-4-CARBOXYLATE

F0001-1337

Z104473532

InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H

Microorganism:

Yes

IUPAC name

butane-2,3-diol

SMILES

CC(C(C)O)O

Inchi

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

Formula

C₄H₁₀O₂

PubChem ID

262

Molweight

90.12

LogP

-0.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols diols

CHEBI-ID

62064

Supernatural-ID

SN0276724

mVOC Specific Details

Boiling Point

Degree	Reference
182 deg C at 1 atm	Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 270

Volatilization

The Henry's Law constant for 2,3-butanediol is estimated as 2.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.24 mm Hg(1), and an assigned value for water solubility of 1.0X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that 2,3-butanediol is expected to be essentially nonvolatile from water surfaces(3). 2,3-Butanediol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.24 mm Hg(1).
Literature: (1) NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry as of Mar 3, 2005. (2) Riddick JA et al; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. NY, NY: John Wiley and Sons p. 270 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Soil Adsorption

The Koc of 2,3-butanediol is estimated as 7.5(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3-butanediol is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Vapor Pressure

Pressure	Reference
0.243 mm Hg at 25 deg C	NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at http://webbook.nist.gov/chemistry

MS-Links

MS-MS Spectrum 182253

MS-MS Spectrum 2205 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 179921

MS-MS Spectrum 179920

MS-MS Spectrum 179919

MS-MS Spectrum 182254

MS-MS Spectrum 5848 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 2204 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 2203 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 5849 - EI-B (HITACHI M-80A) Positive

MS-MS Spectrum 182255

1D-NMR-Links

1D NMR Spectrum 4591

1D NMR Spectrum 1932 - Varian 500 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009140

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009398

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Candida Albicans	NA	NA	Fitzgerald et al. 2022
Eukaryota	Candida Parapsilosis	NA	NA	Fitzgerald et al. 2022
Prokaryota	Staphylococcus Saccharolyticus		clinical isolate	Lemfack et al. 2016
Prokaryota	Staphylococcus Warneri		clinical isolate,human skin	Lemfack et al. 2016
Prokaryota	Erwinia Amylovora		NA	Cellini et al. 2018
Prokaryota	Bacillus Sp.		KX395632.1	Fincheira et al. 2017
Prokaryota	Bacillus Amyloliquefaciens	Inhibition of fusarium oxysporum f.sp. Niveum; fresh weight of Arabidopsis seedlings increased	rhizosphere soils of watermelon plants	Wu et al. 2019
Prokaryota	Bacillus Amyloliquefaciens	0	rhizosphere soils of watermelon plants	Wu et al. 2019
Prokaryota	Paenibacillus Polymyxa		NA	Mülner et al. 2021
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Prokaryota	Bacillus Amyloliquefaciens	stimulate growth of Solanum tuberosum	commercial strain	Heenan-Daly et al. 2021
Prokaryota	Bacillus Toyonensis	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Myotis		isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Pseudomonas Pseudoalcaligenes	promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize	Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad	Yasmin et al. 2021
Prokaryota	Pantoea Vagans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Bacillus Sp.	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	NA	López et al. 2021
Prokaryota	Paenibacillus Polymyxa	antifungal effects against Rhizopus stolonifer	isolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)	Wu et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 107	NA	Calvo et al. 2020
Prokaryota	Bacillus Velezensis	inhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 117	NA	Calvo et al. 2020
Prokaryota	Bacillus Velezensis		NA	Riu et al. 2022
Eukaryota	Mrakia Blollopis	inhibitory and promoting effects on the growth of different microorganisms	isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Tausonia Pullulans	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Sp.	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Eukaryota	Cystofilobasidium Capitatum	inhibitory and promoting effects on the growth of different microorganisms	isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)	Niu et al. 2022
Prokaryota	Bacillus Subtilis	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.	NA	Ryu et al. 2003
Prokaryota	Bacillus Amyloliquefaciens	Induce growth promotion (leaf surface area), systemic resistance (ISR) and regulate auxin homeostasis in Arabidopsis thaliana.	NA	Ryu et al. 2003
Prokaryota	Clostridium Sp.	n/a	NA	Stotzky and Schenck 1976
Eukaryota	Tuber Borchii	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Melanosporum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Mesentericum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Eukaryota	Tuber Aestivum	n/a	Fortywoodland of the Basilicata region	Mauriello et al. 2004
Prokaryota	Chromobacterium Violaceum	n/a	NA	Blom et al. 2011
Prokaryota	Serratia Proteamaculans	n/a	NA	Blom et al. 2011
Prokaryota	Stenotrophomonas Rhizophila	n/a	NA	Blom et al. 2011
Prokaryota	Burkholderia Thailandensis	n/a	NA	Blom et al. 2011
Prokaryota	Bacillus Amyloliquefaciens	n/a	NA	Lee et al. 2012
Prokaryota	Bacillus Subtilis	n/a	NA	Lee et al. 2012
Prokaryota	Paenibacillus Polymyxa	n/a	NA	Lee et al. 2012
Prokaryota	Azospirillum Brasilense	promotion of performance of Chlorella sorokiniana Shih	culture collection DSMZ 1843	Amavizca et al. 2017
Prokaryota	Bacillus Pumilus	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Prokaryota	Escherichia Coli	promotion of performance of Chlorella sorokiniana Shih	NA	Amavizca et al. 2017
Eukaryota	Saccharomyces Cerevisiae		grape vine	Becher et al. 2012
Prokaryota	Bacillus Subtilis	triggers induced systemic resistance (ISR) in Arabidopsis	na	Ryu et al. 2004
Prokaryota	Bacillus Subtilis	trigger induced systemic resistance (ISR)	NA	Ryu et al. 2004
Prokaryota	Bacillus Amyloliquefaciens	trigger induced systemic resistance (ISR)	NA	Ryu et al. 2004
Eukaryota	Tuber Sp.		NA	Splivallo et al. 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Prokaryota	Bacillus Velezensis	NA	NA	Toral et al. 2021
	Meyerozyma Guilliermondii			Xiong et al. 2023
	Lentinula Edodes			Geng et al. 2024
	Bacillus Safensis			Koilybayeva et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Candida Albicans	YPD	SPME/GC-MS	no
Eukaryota	Candida Parapsilosis	YPD	SPME/GC-MS	no
Prokaryota	Staphylococcus Saccharolyticus	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Staphylococcus Warneri	brain heart infusion medium	Porapak / GC/MS	no
Prokaryota	Erwinia Amylovora	Luria-Bertani (LB)	PTR-MS / SPME / GC-MS	no
Prokaryota	Bacillus Sp.	Plate Count agar (PCA)	GC–MS	yes
Prokaryota	Bacillus Sp.	Methyl Red & Voges Proskauer broth (MRVP-B)	SPME, GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	modified Murashige-Skoog (MS) culture medium	SPME-GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Landy media	HS-SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Prokaryota	Bacillus Amyloliquefaciens	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Bacillus Toyonensis	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Myotis	TSB media	SPME/GC-MS	no
Prokaryota	Pseudomonas Pseudoalcaligenes	LB media	SPME/GC-MS	no
Prokaryota	Pantoea Vagans	TYB media	GC-MS	no
Prokaryota	Bacillus Sp.	TYB media	GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Prokaryota	Bacillus Velezensis	MOLP media	SPME/GC-MS	yes
Prokaryota	Bacillus Velezensis	TSA media	SPME/GC-MS	no
Eukaryota	Mrakia Blollopis	artificial nectar media	GC-MS	no
Eukaryota	Tausonia Pullulans	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Sp.	artificial nectar media	GC-MS	no
Eukaryota	Cystofilobasidium Capitatum	artificial nectar media	GC-MS	no
Prokaryota	Bacillus Subtilis	n/a	n/a	no
Prokaryota	Bacillus Amyloliquefaciens	n/a	n/a	no
Prokaryota	Clostridium Sp.	n/a	n/a	no
Eukaryota	Tuber Borchii	n/a	n/a	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Mesentericum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Eukaryota	Tuber Aestivum	n/a	microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)	no
Prokaryota	Chromobacterium Violaceum	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Serratia Proteamaculans	MR-VP	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Stenotrophomonas Rhizophila	MS	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Burkholderia Thailandensis	Angle	Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)	no
Prokaryota	Bacillus Amyloliquefaciens	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Bacillus Subtilis	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Paenibacillus Polymyxa	Tryptic soy agar	SPME coupled with GC-MS	no
Prokaryota	Azospirillum Brasilense	TSA	SPME-GC	no
Prokaryota	Bacillus Pumilus	TSA	SPME-GC	no
Prokaryota	Escherichia Coli	TSA	SPME-GC	no
Eukaryota	Saccharomyces Cerevisiae	synthetic minimal medium	GC-MS, EI	yes
Prokaryota	Bacillus Subtilis	Murashige and Skoog medium	capillary GC;GC/MS	yes
Prokaryota	Bacillus Subtilis	Murashige & Skoog medium containing 1.5% (w/v) agar, 1.5% (w/v) Suc, and 0.4% (w/v) TSA	Super-Q adsorbent trap/GC-FID or GC-MS	yes
Prokaryota	Bacillus Amyloliquefaciens	Murashige & Skoog medium containing 1.5% (w/v) agar, 1.5% (w/v) Suc, and 0.4% (w/v) TSA	Super-Q adsorbent trap/GC-FID or GC-MS	yes
Eukaryota	Tuber Sp.			no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Prokaryota	Bacillus Atrophaeus	MOLP	HS-SPME-GC/MS	no
Prokaryota	Bacillus Velezensis	MOLP	HS-SPME-GC/MS	no
	Meyerozyma Guilliermondii	YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose	GC-MS and GC-IMS	no
	Lentinula Edodes	Jiuqu (traditional wheat Qu)	GC-IMS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no

Hexadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names

palmitic acid

Hexadecanoic acid

57-10-3

Cetylic acid

palmitate

n-Hexadecanoic acid

Hexadecylic acid

1-Pentadecanecarboxylic acid

Hydrofol

n-Hexadecoic acid

Palmitinic acid

hexaectylic acid

Pentadecanecarboxylic acid

hexadecoic acid

1-Hexyldecanoic Acid

Industrene 4516

Emersol 140

Emersol 143

Hystrene 8016

Hystrene 9016

Palmitinsaeure

Palmitic acid, pure

Palmitic acid 95%

Kortacid 1698

FEMA No. 2832

Loxiol EP 278

Palmitic acid (natural)

Hydrofol Acid 1690

Cetyl acid

Prifac 2960

C16:0

HSDB 5001

Pristerene 4934

Pristerene-4934

Edenor C16

NSC 5030

AI3-01594

Lunac P 95KC

Lunac P 95

Lunac P 98

CCRIS 5443

Prifac-2960

CHEBI:15756

NSC5030

NSC-5030

EINECS 200-312-9

UNII-2V16EO95H1

FA 16:0

BRN 0607489

Palmitic acid (NF)

DTXSID2021602

Glycon P-45

IMEX C 1498

2V16EO95H1

Hexadecanoic acid (9CI)

MFCD00002747

67701-02-4

Palmitic acid (7CI,8CI)

CHEMBL82293

DTXCID101602

CH3-[CH2]14-COOH

EC 200-312-9

4-02-00-01157 (Beilstein Handbook Reference)

n-hexadecoate

LMFA01010001

PA 900

EDENOR C 16-98-100

FA 1695

SURFAXIN COMPONENT PALMITIC ACID

1-hexyldecanoate

NCGC00164358-01

LUCINACTANT COMPONENT PALMITIC ACID

1219802-61-5

pentadecanecarboxylate

Hexadecanoic acid 10 microg/mL in Acetonitrile

HEXADECANOIC-11,11,12,12-D4 ACID

PALMITIC ACID (II)

PALMITIC ACID [II]

PALMITIC ACID (MART.)

PALMITIC ACID [MART.]

CH3-(CH2)14-COOH

Palmitic acid; Hexadecanoic acid

PLM

palmic acid

Hexadecanoate (n-C16:0)

PALMITIC ACID (EP MONOGRAPH)

PALMITIC ACID [EP MONOGRAPH]

Acid, Palmitic

CAS-57-10-3

Acid, Hexadecanoic

SR-01000944716

Palmitic acid [USAN:NF]

palmitoate

Hexadecoate

Palmitinate

Palmitinsaure

palmitic-acid

palmitoic acid

Hexadecanoicacid

Aethalic acid

Hexadecanoic acid Palmitic acid

2hmb

2hnx

Palmitic acid_jeyam

n-Hexadecyclic Acid

fatty acid 16:0

Palmitic Acid, FCC

Kortacid 1695

Palmitic acid_RaGuSa

Univol U332

Prifrac 2960

Hexadecanoic acid anion

Hexadecanoic--d5 Acid

3v2q

Palmitic acid, >=99%

bmse000590

Epitope ID:141181

CETYL ACID [VANDF]

PALMITIC ACID [MI]

SCHEMBL6177

PALMITIC ACID [DSC]

PALMITIC ACID [FCC]

PALMITIC ACID [FHFI]

PALMITIC ACID [HSDB]

PALMITIC ACID [INCI]

PALMITIC ACID [USAN]

FAT

WLN: QV15

1-MONOPALMITIN_met001

P5585_SIGMA

PALMITIC ACID [VANDF]

GTPL1055

QSPL 166

PALMITIC ACID [USP-RS]

PALMITIC ACID [WHO-DD]

(1(1)(3)C)hexadecanoic acid

1b56

HMS3649N08

Palmitic acid, analytical standard

Palmitic acid, BioXtra, >=99%

Palmitic acid, Grade II, ~95%

HY-N0830

Palmitic acid, natural, 98%, FG

Tox21_112105

Tox21_201671

Tox21_302966

AC9381

BBL011563

BDBM50152850

s3794

STL146733

Palmitic acid, >=95%, FCC, FG

AKOS005720983

Tox21_112105_1

CCG-267027

CR-0047

DB03796

MCULE-1361949901

Palmitic acid, for synthesis, 98.0%

NCGC00164358-02

NCGC00164358-03

NCGC00256424-01

NCGC00259220-01

BP-27917

Palmitic acid, purum, >=98.0% (GC)

SY006518

CS-0009861

NS00008548

P0002

P1145

Palmitic acid, SAJ first grade, >=95.0%

EN300-19603

C00249

D05341

Palmitic acid, Vetec(TM) reagent grade, 98%

PALMITIC ACID (CONSTITUENT OF SPIRULINA)

Palmitic acid, >=98% palmitic acid basis (GC)

A831313

Q209727

PALMITIC ACID (CONSTITUENT OF FLAX SEED OIL)

PALMITIC ACID (CONSTITUENT OF SAW PALMETTO)

SR-01000944716-1

SR-01000944716-2

BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C

PALMITIC ACID (CONSTITUENT OF BORAGE SEED OIL)

PALMITIC ACID (CONSTITUENT OF SPIRULINA) [DSC]

F0001-1488

Z104474418

PALMITIC ACID (CONSTITUENT OF EVENING PRIMROSE OIL)

PALMITIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]

Palmitic acid, certified reference material, TraceCERT(R)

Palmitic acid, European Pharmacopoeia (EP) Reference Standard

Palmitic acid, United States Pharmacopeia (USP) Reference Standard

Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material

Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759

Microorganism:

Yes

IUPAC name

hexadecanoic acid

SMILES

CCCCCCCCCCCCCCCC(=O)O

Inchi

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

Formula

C₁₆H₃₂O₂

PubChem ID

985

Molweight

256.42

LogP

6.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

acids organic acids carboxylic acids

CHEBI-ID

15756

Supernatural-ID

SN0151530

mVOC Specific Details

Boiling Point

Degree	Reference
351.5 °C peer reviewed

Volatilization

An estimated pKa of 4.7(1) for palmitic acid indicates palmitic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Palmitic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.8X10-7 mm Hg(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

Soil Adsorption

The Koc of undissociated palmitic acid is estimated as 189,000(SRC), using a log Kow of 7.17(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated palmitic acid is expected to be immobile in soil. The estimated pKa of palmitic acid is 4.7(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Vapor Pressure

Pressure	Reference
3.8X10-7 mm Hg at 25 deg C	Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

MS-Links

MS-MS Spectrum 142809

MS-MS Spectrum 142811

MS-MS Spectrum 81667

MS-MS Spectrum 142810

MS-MS Spectrum 81668

MS-MS Spectrum 81666

1D-NMR-Links

1D NMR Spectrum 4753

1D NMR Spectrum 3179 - Varian 25.16 MHz 13C NMR

1D NMR Spectrum 4752

1D NMR Spectrum 1217 - Varian 500 MHz 1H NMR

Massbank-Links

Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N107226_B8BB

Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N107227_9CB7

Massbank Spectrum MSBNK-BS-BS001074

Massbank Spectrum MSBNK-BS-BS001075

Massbank Spectrum MSBNK-BS-BS001076

Massbank Spectrum MSBNK-BS-BS001077

Massbank Spectrum MSBNK-BS-BS001078

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006253

Massbank Spectrum MSBNK-Kazusa-KZ000259

Massbank Spectrum MSBNK-Metabolon-MT000023

Massbank Spectrum MSBNK-RIKEN-PR010202

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Fluorescens	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Monteilii	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Putida	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Pseudomonas Taiwanensis	Plant growth promotion	rhizosphere	Jishma et al. 2017
Prokaryota	Proteus Vulgaris		rhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)	Yu et al. 2013
Prokaryota	Paenibacillus Polymyxa	antifungal effects against Rhizopus stolonifer	isolated from an ancient tree Cryptomeria fortune and deposited in China General Microbiological Culture Collection Center (CGMCC No. 15733)	Wu et al. 2020
Prokaryota	Prevotella Buccae	n/a	NA	Brondz and Olsen 1991
Prokaryota	Prevotella Oris	n/a	NA	Brondz and Olsen 1991
Prokaryota	Prevotella Oralis	n/a	NA	Brondz and Olsen 1991
Prokaryota	Prevotella Disiens	n/a	NA	Brondz and Olsen 1991
Prokaryota	Prevotella Veroralis	n/a	NA	Brondz and Olsen 1991
Prokaryota	Prevotella Heparinolyticus	n/a	NA	Brondz and Olsen 1991
Prokaryota	Bacteroides Fragilis	n/a	NA	Brondz and Olsen 1991
Prokaryota	Porphyromonas Endodontalis	n/a	NA	Brondz and Olsen 1991
Prokaryota	Bacteroides Gracilis	n/a	NA	Brondz and Olsen 1991
Prokaryota	Campylobacter Fetus	n/a	NA	Brondz and Olsen 1991
Prokaryota	Bacteroides Ureolyticus	n/a	NA	Brondz and Olsen 1991
Prokaryota	Wolinella Succinogenes	n/a	NA	Brondz and Olsen 1991
Prokaryota	Wolinella Curva	n/a	NA	Brondz and Olsen 1991
Prokaryota	Wolinella Recta	n/a	NA	Brondz and Olsen 1991
Prokaryota	Streptomycetes Sp.	n/a	NA	Stritzke et al. 2004
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Eukaryota	Lentinula Edodes	na	na	Çağlarırmak et al. 2007
Eukaryota	Pleurotus Sajor-caju	na	na	Çağlarırmak et al. 2007
Eukaryota	Xylaria Sp.	na	Haematoxylon brasiletto, Morelos, Mexico	Sánchez-Ortiz et al. 2016
Prokaryota	Bacillus Subtilis	antibacterial	soil Malaysia and Tibet, China General Microbial culture center CGMCC	Xie et al. 2018
Eukaryota	Pleurotus Eryngii	na	na	Usami et al. 2014
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Serratia Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Enterobacter Sp.	NA	NA	Etminani et al. 2022
Prokaryota	Pantoea Sp.	NA	NA	Etminani et al. 2022
Eukaryota	Zygosaccharomyces Rouxii	NA	NA	Pei et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Prokaryota	Enterobacter Sp.	NA	NA	Almeida et al. 2022
Prokaryota	Bacillus Subtilis	NA	NA	Lee et al. 2023
	Bacillus Toyonensis			Koilybayeva et al. 2023
	Bacillus Acidiproducens			Koilybayeva et al. 2023
	Bacillus Cereus			Koilybayeva et al. 2023
	Bacillus Safensis			Koilybayeva et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Fluorescens	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Monteilii	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Putida	MR-VP broth	GS-MS	no
Prokaryota	Pseudomonas Taiwanensis	MR-VP broth	GS-MS	no
Prokaryota	Proteus Vulgaris	LB agar	SPME, GC-MS	no
Prokaryota	Paenibacillus Polymyxa	LB agar and M49 (minimal) media	SPME/GC-MS	yes
Prokaryota	Prevotella Buccae	n/a	n/a	no
Prokaryota	Prevotella Oris	n/a	n/a	no
Prokaryota	Prevotella Oralis	n/a	n/a	no
Prokaryota	Prevotella Disiens	n/a	n/a	no
Prokaryota	Prevotella Veroralis	n/a	n/a	no
Prokaryota	Prevotella Heparinolyticus	n/a	n/a	no
Prokaryota	Bacteroides Fragilis	n/a	n/a	no
Prokaryota	Porphyromonas Endodontalis	n/a	n/a	no
Prokaryota	Bacteroides Gracilis	n/a	n/a	no
Prokaryota	Campylobacter Fetus	n/a	n/a	no
Prokaryota	Bacteroides Ureolyticus	n/a	n/a	no
Prokaryota	Wolinella Succinogenes	n/a	n/a	no
Prokaryota	Wolinella Curva	n/a	n/a	no
Prokaryota	Wolinella Recta	n/a	n/a	no
Prokaryota	Streptomycetes Sp.	n/a	n/a	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Eukaryota	Lentinula Edodes	na	GC/MS	no
Eukaryota	Pleurotus Sajor-caju	na	GC/MS	no
Eukaryota	Xylaria Sp.	PDA medium	SPME-GC/MS	yes
Prokaryota	Bacillus Subtilis	LB	SPME-GC-MS	yes
Eukaryota	Pleurotus Eryngii	na	GC/MS, GC-O, AEDA	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Serratia Sp.	nutrient agar (NA)	GC–MS	no
Prokaryota	Enterobacter Sp.	nutrient agar (NA)	GC–MS	no
Prokaryota	Pantoea Sp.	nutrient agar (NA)	GC–MS	no
Eukaryota	Zygosaccharomyces Rouxii	YPD medium	GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Prokaryota	Enterobacter Sp.	LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)	SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)	no
Prokaryota	Bacillus Subtilis	Tryptone soy broth (TSB)	HPLC	no
	Bacillus Toyonensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Acidiproducens	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Cereus	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Bacillus Safensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no

Results for: Species: Lentinula edodes Signature

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Compound Details

mVOC Specific Details

Benzaldehyde

Compound Details

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3,4,5-trihydroxybenzoic Acid

Compound Details

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Pyridine

Compound Details

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2,6-dimethylpyrazine

Compound Details

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2-pentylfuran

Compound Details

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2-ethylfuran

Compound Details

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4-methylpent-3-en-2-one

Compound Details

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(methyldisulfanyl)methane

Compound Details

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Acetic Acid

Compound Details

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3,4-dihydroxybenzoic Acid

Compound Details

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4-hydroxybenzoic Acid

Compound Details

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(E)-3-phenylprop-2-enoic Acid

Compound Details

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Oxolan-2-one

Compound Details

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1-hydroxypropan-2-one

Compound Details

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3-hydroxybutan-2-one

Compound Details

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Methyl Furan-2-carboxylate

Compound Details

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Oxolane

Compound Details

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Butane-2,3-diol

Compound Details

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Hexadecanoic Acid

Compound Details

mVOC Specific Details

Results for:
Species: Lentinula edodes

Signature