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Species: Brevibacterium linens
Signature
Methanethiol
Mass-Spectra
Compound Details
Synonymous names
Methylmercaptaan
Mercaptomethane
Metilmercaptano
methylsulfanium
Methylmercaptan
Methaanthiol
Thiomethanol
methanethiol
Methanethiole
Thiomethane
Mercaptan methylique
Methanthiol
Methvtiolo
(Mercaptomethyl)polystyrene
LSDPWZHWYPCBBB-UHFFFAOYSA-N
Methyl sulfhydrate
Thiomethyl alcohol
Methyl thioalcohol
METHYL MERCAPTAN
methyl-mercaptan
methane thiol
methyl thiol
methyl-thiol
Methanethiol, purum
CH3SH
Methanethiol-S-d
Mercaptan C1
Metilmercaptano [Italian]
Metilmercaptano [Spanish]
Methylmercaptaan [Dutch]
Methanthiol [German]
Methvtiolo [Italian]
Z22
Mercaptan methylique [French]
AC1L1A8B
Methaanthiol [Dutch]
Methyl mercaptan (natural)
UN1064
CTK2H7493
HSDB 813
HMDB03227
C00409
2X8406WW9I
RCRA waste number U153
OR332408
NSC229573
OR000105
OR164971
OR230018
OR230158
UN 1064
DTXSID5026382
Methanethiol, >=98.0%
LS-2938
CHEBI:16007
UNII-2X8406WW9I
Methanethiol, 98.0%
AN-23827
SC-46829
NSC-229573
AKOS009157032
RCRA waste no. U153
BRN 1696840
FEMA No. 2716
FT-0696326
74-93-1
EINECS 200-822-1
63933-47-1
17719-48-1
InChI=1/CH4S/c1-2/h2H,1H
Methyl mercaptan [UN1064] [Poison gas]
(Mercaptomethyl)polystyrene, extent of labeling: ~2.0 mmol/g S loading
5188-07-8 (hydrochloride salt)
Methyl mercaptan [UN1064] [Poison gas]
4-01-00-01273 (Beilstein Handbook Reference)
21094-80-4 (mercury(2+) salt)
35029-96-0 (lead(2+) salt)
IUPAC name
methanethiol
SMILES
CS
Inchi
InChI=1S/CH4S/c1-2/h2H,1H3
Formula
CH
4
S
PubChem ID
878
Molweight
48.1
LogP
0.84
Atoms
6
Bonds
5
H-bond Acceptor
0
H-bond Donor
1
Chemical Classification
Thiols
sulfur compounds
mVOC Specific Details
Volatilization
The Henry's Law constant for methyl mercaptan is estimated as 0.0031 atm-cu m/mole(SRC) derived from its vapor pressure, 1,510 mm Hg(1), and water solubility, 15,400 mg/L(2). This Henry's Law constant indicates that methyl mercaptan is expected to volatilize rapidly 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 0.8 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 2.8 days(SRC). Methyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces is expected to occur(SRC). Methyl mercaptan is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure and because it is a gas a temperatures above 6 deg C(SRC). However, gaseous methyl mercaptan gas has been found to strongly adsorb to moist and dry soil surfaces suggesting that adsorption might be an environmental sink for methyl mercaptan(4). Therefore, the importance of volatilization from soil surfaces may be attenuated by adsorption(SRC).
Literature:
(1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Smith KA et al; Soil Sci 116: 313-9 (1973)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl mercaptan can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl mercaptan is expected to have very high mobility in soil. Gaseous methyl mercaptan has been observed to partition to soils(3). For example, when gaseous methyl mercaptan was passed over six air-dried and moist (50% field capacity) soils, 2.4-32.1 mg/g and 2.2-21.4 mg/g of methyl mercaptan rapidly adsorbed to the dry and moist soils, respectively(3). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(3); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous methyl mercaptan(3).
Literature:
(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of July 19, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Smith KA et al; Soil Sci 116: 313-9 (1973)
Vapor Pressure
Pressure
Reference
1,510 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 20226
MS-MS Spectrum 21778
MS-MS Spectrum 21777
MS-MS Spectrum 20227
MS-MS Spectrum 20225
MS-MS Spectrum 21776
MS-Links
GC-MS Spectrum 3277
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Alcaligenes Faecalis
n/a
Schulz and Dickschat, 2007
Bacteria
Alpha Proteobacteria Group
n/a
Schulz and Dickschat, 2007
Bacteria
Bacillus Amyloliquefaciens IN937a
n/a
Lee et al., 2012
Bacteria
Bacillus Subtilis GB03
n/a
Lee et al., 2012
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Citrobacter Freundii
n/a
Schulz and Dickschat, 2007
Bacteria
Desulfovibrio Acrylicus
n/a
Schulz and Dickschat, 2007
Bacteria
Escherichia Coli
n/a
Bunge et al., 2008
Bacteria
Fusobacterium Nucleatum
n/a
Schulz and Dickschat, 2007
Bacteria
Gamma Proteobacteria
n/a
Schulz and Dickschat, 2007
Bacteria
Klebsiella Pneumoniae ATCC 13883
Rees et al. 2017
Bacteria
Lactobacillus Brevis
n/a
Schulz and Dickschat, 2007
Bacteria
Lactobacillus Hilgardii
n/a
Schulz and Dickschat, 2007
Bacteria
Lactobacillus Lactis
n/a
Schulz and Dickschat, 2007
Bacteria
Lactobacillus Plantarum
n/a
Schulz and Dickschat, 2007
Bacteria
Lactobacillus Sp.
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Sp.
n/a
Schulz and Dickschat, 2007
Bacteria
Oenococcus Oeni
n/a
Schulz and Dickschat, 2007
Bacteria
Paenibacillus Polymyxa E681
n/a
Lee et al., 2012
Bacteria
Parasporobacterium Paucivorans
n/a
Schulz and Dickschat, 2007
Bacteria
Porphyromonas Gingivalis
n/a
Schulz and Dickschat, 2007
Bacteria
Pseudomonas Putida KT 2442
na
na
Schoeller et al., 1997
Bacteria
Pseudomonas Putida USB2105
na
rhizosphere of bean plants, southern Italy
Giorgio et al., 2015
Bacteria
Pseudomonas Tolaasii NCPPB 2192
na
na
Cantore et al., 2015
Bacteria
Pseudomonas Tolaasii USB1
na
na
Cantore et al., 2015
Bacteria
Pseudomonas Tolaasii USB66
na
na
Cantore et al., 2015
Bacteria
Ralstonia Solanacearum
na
na
Spraker et al., 2014
Bacteria
Salmonella Enterica
n/a
Bunge et al., 2008
Bacteria
Shigella Flexneri
n/a
Bunge et al., 2008
Bacteria
Treponema Denticola
n/a
Schulz and Dickschat, 2007
Fungi
Candida Tropicalis
n/a
Bunge et al., 2008
Fungi
Tuber Magnatum
n/a
Italian geographical areas (Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)
Gioacchini et al., 2008
Bacteria
Klebsiella Pneumoniae ATCC 13883
Rees et al. 2016
Bacteria
Streptococcus Pneumoniae
clinic
Preti., 2009
Fungi
Schizophyllum Commune
n/a
Stotzky and Schenk, 1976
Bacteria
Pseudomonas Perolens ATCC 10757
na
sterile fish muscle (Sebastes melanops)
Miller et al., 1973
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Alcaligenes Faecalis
n/a
n/a
Bacteria
Alpha Proteobacteria Group
n/a
n/a
Bacteria
Bacillus Amyloliquefaciens IN937a
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Bacillus Subtilis GB03
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Citrobacter Freundii
n/a
n/a
Bacteria
Desulfovibrio Acrylicus
n/a
n/a
Bacteria
Escherichia Coli
n/a
n/a
Bacteria
Fusobacterium Nucleatum
n/a
n/a
Bacteria
Gamma Proteobacteria
n/a
n/a
Bacteria
Klebsiella Pneumoniae ATCC 13883
LB
SPME / GCxGC-TOFMS
no
Bacteria
Lactobacillus Brevis
n/a
n/a
Bacteria
Lactobacillus Hilgardii
n/a
n/a
Bacteria
Lactobacillus Lactis
n/a
n/a
Bacteria
Lactobacillus Plantarum
n/a
n/a
Bacteria
Lactobacillus Sp.
n/a
n/a
Bacteria
Lactococcus Sp.
n/a
n/a
Bacteria
Oenococcus Oeni
n/a
n/a
Bacteria
Paenibacillus Polymyxa E681
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Parasporobacterium Paucivorans
n/a
n/a
Bacteria
Porphyromonas Gingivalis
n/a
n/a
Bacteria
Pseudomonas Putida KT 2442
AB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid
GC-FID,GC/MS
Bacteria
Pseudomonas Putida USB2105
King's B Agar
SPME-GC/MS
No
Bacteria
Pseudomonas Tolaasii NCPPB 2192
KB
SPME-GC
Bacteria
Pseudomonas Tolaasii USB1
KB
SPME-GC
Bacteria
Pseudomonas Tolaasii USB66
KB
SPME-GC
Bacteria
Ralstonia Solanacearum
Casamino Acid Peptone Glucose agar
SPME-GC/MS
No
Bacteria
Salmonella Enterica
n/a
n/a
Bacteria
Shigella Flexneri
n/a
n/a
Bacteria
Treponema Denticola
n/a
n/a
Fungi
Candida Tropicalis
n/a
n/a
Fungi
Tuber Magnatum
n/a
microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Bacteria
Klebsiella Pneumoniae ATCC 13883
LB
GCxGC-TOF-MS
no
Bacteria
Streptococcus Pneumoniae
Blood agar/chocolate blood aga
HS-SPME/GC-MS
no
Fungi
Schizophyllum Commune
n/a
n/a
Bacteria
Pseudomonas Perolens ATCC 10757
Trypticase soil agar (BBL)
GC/MS
S-methyl Butanethioate
Mass-Spectra
Compound Details
Synonymous names
Methanethiol butyrate
Methyl thiobutanoate
Methyl thiolbutyrate
GRLJIIJNZJVMGP-UHFFFAOYSA-N
Methane n-thiolbutyrate
Methanethiol n-butyrate
S-Methyl butanethioate
S-Methyl thiobutyrate
Butanethioic acid,S-methyl ester
S-Methyl butanethioate #
Thiobutyric Acid S-Methyl Ester
AC1L1X4T
Methyl thiobutyrate (natural)
BUTANETHIOIC ACID, S-METHYL ESTER
ACMC-209gaw
M1818
CTK4F3391
2P1E432MYZ
SCHEMBL722981
S-Methyl thiobutanoate, 98%
UNII-2P1E432MYZ
ZINC409240
ZB013888
S-(methyl thio) butyrate
DTXSID5047669
OR012310
CHEBI:89255
1-(methylsulfanyl)butan-1-one
ACM2432511
AN-20806
ANW-25398
Methyl thiobutyrate, >=97%, FG
FCH3464393
MFCD00009872
ZINC00409240
TC-114143
LS-179173
Q-100312
AKOS015950859
J-800454
FEMA No. 3310
Methyl thiobutyrate, natural, 98%, FG
Butyric acid, thio-, S-methyl ester
2432-51-1
EINECS 219-407-1
MolPort-003-929-056
IUPAC name
S-methyl butanethioate
SMILES
CCCC(=O)SC
Inchi
InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
Formula
C
5
H
1
0
OS
PubChem ID
62444
Molweight
118.19
LogP
1.82
Atoms
17
Bonds
16
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
sulfur compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 138249
MS-MS Spectrum 138251
MS-MS Spectrum 78002
MS-MS Spectrum 138250
MS-MS Spectrum 78000
MS-MS Spectrum 78001
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Alcaligenes Faecalis YMF3·00172
na
na
Su et al., 2016
Bacteria
Bacillus Cereus YMF3·00019
na
na
Su et al., 2016
Bacteria
Brevibacterium Epidermidis YMF3·00155
na
na
Su et al., 2016
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
Proteus Penneri YMF3·00016
na
na
Su et al., 2016
Bacteria
Proteus Vulgaris Sp.
na
na
Su et al., 2016
Bacteria
Providencia Rettgeri YMF3·00150
na
na
Su et al., 2016
Bacteria
Pseudochrobactrum Asaccharolyticum YMF3·00201
na
na
Su et al., 2016
Bacteria
Pseudomonas Syringae S22
na
phyllosphere of field-grown potato plants
Hunziker et al., 2015
Bacteria
AMI 386
na
breathing zone of a waste collection worker
Wilkins, 1996
Bacteria
Streptomyces Griseus Subsp. Griseus DSM 40236
na
soil
Wilkins, 1996
Bacteria
Thermomonospora Fusca DSM 43792
na
soil
Wilkins, 1996
Bacteria
Achromobacter Xylosoxidans AF411019
Nematicidal activity
cow dung
XU et al., 2015
Bacteria
Arthrobacter Nicotianae JQ071518
Nematicidal activity
cow dung
XU et al., 2015
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Bacteria
Proteus Hauseri JN092591
Nematicidal activity
cow dung
XU et al., 2015
Bacteria
Pseudochrobactrum Saccharolyticum AM180484
Nematicidal activity
cow dung
XU et al., 2015
Bacteria
Streptomyces Albidoflavus
n/a
Schulz and Dickschat, 2007
Bacteria
Streptomyces Griseus
n/a
Schulz and Dickschat, 2007
Bacteria
Thermomonospora Fusca
n/a
Schulz and Dickschat, 2007
Bacteria
Wautersiella Falsenii AM238687
Nematicidal activity
cow dung
XU et al., 2015
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Alcaligenes Faecalis YMF3·00172
LB medium
SPME-GC/MS
No
Bacteria
Bacillus Cereus YMF3·00019
LB medium
SPME-GC/MS
No
Bacteria
Brevibacterium Epidermidis YMF3·00155
LB medium
SPME-GC/MS
No
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
Proteus Penneri YMF3·00016
LB medium
SPME-GC/MS
No
Bacteria
Proteus Vulgaris Sp.
LB medium
SPME-GC/MS
No
Bacteria
Providencia Rettgeri YMF3·00150
LB medium
SPME-GC/MS
No
Bacteria
Pseudochrobactrum Asaccharolyticum YMF3·00201
LB medium
SPME-GC/MS
No
Bacteria
Pseudomonas Syringae S22
LB medium
GC/MS
Yes
Bacteria
AMI 386
Nutrient agar CM3 + 50mg/l actidione
GC/MS
Bacteria
Streptomyces Griseus Subsp. Griseus DSM 40236
Nutrient agar CM3
GC/MS
Bacteria
Thermomonospora Fusca DSM 43792
Nutrient agar CM3
GC/MS
Bacteria
Achromobacter Xylosoxidans AF411019
LB liquid
SPME-GC/MS
Bacteria
Arthrobacter Nicotianae JQ071518
LB liquid
SPME-GC/MS
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Lactococcus Lactis
n/a
n/a
Bacteria
Proteus Hauseri JN092591
LB liquid
SPME-GC/MS
Bacteria
Pseudochrobactrum Saccharolyticum AM180484
LB liquid
SPME-GC/MS
Bacteria
Streptomyces Albidoflavus
n/a
n/a
Bacteria
Streptomyces Griseus
n/a
n/a
Bacteria
Thermomonospora Fusca
n/a
n/a
Bacteria
Wautersiella Falsenii AM238687
LB liquid
SPME-GC/MS
S-methyl 2-methylbutanethioate
Compound Details
Synonymous names
IAMIOPHEADLKFT-UHFFFAOYSA-N
S-Methyl2-methylthiobutyrate
Methylthio 2-methylbutyrate
S-Methyl 2-methylbutanethioate
S-METHYL 2-METHYLTHIOBUTYRATE
S-tropical 2-thiobutyrate
2-Methylbutanethioic acid S-methyl ester
AC1L22Z7
Methyl 2-methyl(thiobutyrate)
CTK4I5673
SCHEMBL3504471
OR269538
OR032241
FCH841118
3-(4-Aminobenzoyl)butyric acid
DB-003774
ACM42075456
AKOS006273084
FT-0693528
Butanethioic acid,2-methyl-, S-methyl ester
2-methyl-1-(methylsulfanyl)butan-1-one
Butanethioic acid, 2-methyl-, S-methyl ester
EINECS 255-648-9
42075-45-6
IUPAC name
S-methyl 2-methylbutanethioate
SMILES
CCC(C)C(=O)SC
Inchi
InChI=1S/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
Formula
C
6
H
1
2
OS
PubChem ID
65285
Molweight
132.22
LogP
2.37
Atoms
20
Bonds
19
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
sulfur compounds
mVOC Specific Details
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Lactococcus Lactis
n/a
n/a
S-methyl Ethanethioate
Compound Details
Synonymous names
Methylthioacetate
Methyl thiolacetate
Methanethiol acetate
methyl ethanethioate
S-METHYLTHIOACETATE
OATSQCXMYKYFQO-UHFFFAOYSA-N
S-Methyl ethanethioate
S-Methyl thioacetate
AC1L2KFM
S-Methyl thioacetate, AldrichCPR
S-Methyl ethanethioate #
Thioacetic acid S-methyl ester
Ethanethioic acid, methyl ester
AC1Q68RR
ACMC-1BTZ5
PF2D4MWX79
KSC493A2H
Ethanethioic acid, S-methyl ester
UNII-PF2D4MWX79
M2286
CTK3J3023
CH3C(O)SCH3
FCH918358
OR031401
OR224946
OR224947
DTXSID3073264
ZINC2004049
CHEBI:51280
CJ-07327
1-(methylsulfanyl)ethan-1-one
AB1006061
AN-49402
CJ-30959
ZINC02004049
MFCD00014989
Ethanethioic acid,S-methyl ester (9CI)
RT-001199
Q-100182
I09-0174
AKOS006229807
FT-0659567
Acetic acid, thio-, S-methyl ester
S-Methyl thioacetate, natural, >=96%, FG
1534-08-3
EINECS 216-252-1
MolPort-006-113-372
InChI=1/C3H6OS/c1-3(4)5-2/h1-2H
IUPAC name
S-methyl ethanethioate
SMILES
CC(=O)SC
Inchi
InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
Formula
C
3
H
6
OS
PubChem ID
73750
Molweight
90.14
LogP
0.68
Atoms
11
Bonds
10
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
Ester
sulfur compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 132934
MS-MS Spectrum 132935
MS-MS Spectrum 132933
MS-MS Spectrum 73704
MS-MS Spectrum 73705
MS-MS Spectrum 73706
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Ralstonia Solanacearum
na
na
Spraker et al., 2014
Bacteria
Streptomyces Albidoflavus AMI 246
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Albus IFO 13014
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Albus Subsp. Pathocidicus IFO 13812
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Coelicolor DSM 40233
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Diastatochromogenes ETH 18822
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Griseus ATCC 23345
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Griseus IFO 13849
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Hirsutus ETH 1666
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Rishiriensis AMI 224
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Thermoviolaceus IFO 12382
n/a
Schoeller et al., 2002
Bacteria
Chryseobacterium Sp. AD48
na
na
Tyc et al., 2015
Bacteria
Janthinobacterium Sp. AD80
na
na
Tyc et al., 2015
Bacteria
Pseudomonas Chlororaphis 450
na
Rhizosphere of maize, Kiev region, Ukraine
Popova et al., 2014
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
AMI 386
na
breathing zone of a waste collection worker
Wilkins, 1996
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Collimonas Fungivorans Ter331
n/a
Garbeva et al., 2013
Bacteria
Collimonas Pratensis TER91
na
rhizosphere of Marram grass in sandy dune soils, Netherlands
Garbeva et al., 2014
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Bacteria
Serratia Plymuthica PRI-2C
na
maize rhizosphere, Netherlands
Garbeva et al., 2014
Bacteria
Streptomyces Albidoflavus
n/a
Schulz and Dickschat, 2007
Bacteria
Streptomyces Griseus Subsp. Griseus DSM 40236
na
soil
Wilkins, 1996
Bacteria
Streptomyces Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Thermoactinomyces Vulgaris DSM 43016
na
soil
Wilkins, 1996
Bacteria
Clostridium Difficile R002
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R005
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R013
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R014/R020
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R026
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R027
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R078
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R087
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R107
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Ralstonia Solanacearum
Casamino Acid Peptone Glucose agar
SPME-GC/MS
No
Bacteria
Streptomyces Albidoflavus AMI 246
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Albus IFO 13014
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Albus Subsp. Pathocidicus IFO 13812
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Coelicolor DSM 40233
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Diastatochromogenes ETH 18822
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Griseus ATCC 23345
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Griseus IFO 13849
n/a
n/a
Bacteria
Streptomyces Hirsutus ETH 1666
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Rishiriensis AMI 224
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Thermoviolaceus IFO 12382
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Chryseobacterium Sp. AD48
Tryptic soy broth agar
GC/MS-Q-TOF
No
Bacteria
Janthinobacterium Sp. AD80
Tryptic soy broth agar
GC/MS-Q-TOF
No
Bacteria
Pseudomonas Chlororaphis 450
LB medium
SPME-GC/MS
No
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
AMI 386
Nutrient agar CM3 + 50mg/l actidione
GC/MS
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Collimonas Fungivorans Ter331
Headspace trapping/GC-MS
Bacteria
Collimonas Pratensis TER91
sand containing artificial root exudates
GC/MS
No
Bacteria
Lactococcus Lactis
n/a
n/a
Bacteria
Serratia Plymuthica PRI-2C
sand containing artificial root exudates
GC/MS
No
Bacteria
Streptomyces Albidoflavus
n/a
n/a
Bacteria
Streptomyces Griseus Subsp. Griseus DSM 40236
Nutrient agar CM3
GC/MS
Bacteria
Streptomyces Spp.
n/a
n/a
Bacteria
Thermoactinomyces Vulgaris DSM 43016
Nutrient agar CM3
GC/MS
Bacteria
Clostridium Difficile R002
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R005
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R013
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R014/R020
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R026
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R027
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R078
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R087
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R107
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
S-methyl Hexanethioate
Mass-Spectra
Compound Details
Synonymous names
Methanethiol caproate
AKGAHYLJHAOPKQ-UHFFFAOYSA-N
S-Methyl hexanethioate
methyl thiohexanoate, AldrichCPR
S-Methyl thiohexanoate
QRL
AC1L2OXC
S-Methyl hexanethioate #
AC1Q68RX
MC7G128ACI
U833
Hexanethioic acid, S-methyl ester
UNII-MC7G128ACI
S-(methyl thio) hexanoate
LP004199
FCH847782
DTXSID1062417
SCHEMBL3506754
ZINC1841229
ACM2432771
1-(METHYLSULFANYL)HEXAN-1-ONE
I09-1878
AKOS006277831
2432-77-1
EINECS 219-410-8
IUPAC name
S-methyl hexanethioate
SMILES
CCCCCC(=O)SC
Inchi
InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
Formula
C
7
H
1
4
OS
PubChem ID
75515
Molweight
146.25
LogP
2.71
Atoms
23
Bonds
22
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
sulfur compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 100405
MS-MS Spectrum 100404
MS-MS Spectrum 165728
MS-MS Spectrum 165727
MS-MS Spectrum 100406
MS-MS Spectrum 165726
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Lactococcus Lactis
n/a
n/a
S-methyl 3-methylbutanethioate
Compound Details
Synonymous names
Methanethiol isovalerate
S-Methylisovalerate
MPLWTJZAFOVXKP-UHFFFAOYSA-N
Methane thiol isovalerate; Methyl isopentanethioate
s-methyl thioisovalerate
methyl thio isovalerate
AC1L3JKR
S-Methyl 3-methylbutanethioate
S-Methyl 3-methylthiobutyrate
AC1Q68RW
3-Methylbutanethioic acid S-methyl ester
U810
UB23WZ59H0
UNII-UB23WZ59H0
Fema 3864
OR037950
OR245953
DTXSID3066928
SCHEMBL3506127
CHEBI:89436
ZINC5360197
KB-51861
AB1006105
I09-1132
AKOS006288153
FT-0659795
Butanethioic acid,3-methyl-, S-methyl ester
3-METHYL-1-(METHYLSULFANYL)BUTAN-1-ONE
Butanethioic acid, 3-methyl-, S-methyl ester
EINECS 245-863-6
23747-45-7
IUPAC name
S-methyl 3-methylbutanethioate
SMILES
CC(C)CC(=O)SC
Inchi
InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
Formula
C
6
H
1
2
OS
PubChem ID
90246
Molweight
132.22
LogP
2.11
Atoms
20
Bonds
19
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
sulfur compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 167333
MS-MS Spectrum 101677
MS-MS Spectrum 101678
MS-MS Spectrum 167331
MS-MS Spectrum 167332
MS-MS Spectrum 101676
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Bacteria
Streptomyces Albidoflavus
n/a
Schulz and Dickschat, 2007
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Lactococcus Lactis
n/a
n/a
Bacteria
Streptomyces Albidoflavus
n/a
n/a
S-methyl Propanethioate
Compound Details
Synonymous names
METHYLTHIOPROPIONATE
AIILTVHCLAEMDA-UHFFFAOYSA-N
s-methyl thiopropionate
S-Methyl thiopropanoate
S-Methyl propanethioate
AC1LAW6I
Propanethioicacid, S-methyl ester
Propanethioic acid S-methyl ester
Propanethioic acid, S-methyl ester
3WP1B49B1P
S-Methyl propanethioate [FHFI]
CTK5A9666
UNII-3WP1B49B1P
FCH837873
SCHEMBL1245998
1-(methylsulfanyl)propan-1-one
ZINC32154765
Q-100686
AKOS006272057
FEMA No. 4172
Propionic acid, thio-, S-methyl ester
5925-75-7
IUPAC name
S-methyl propanethioate
SMILES
CCC(=O)SC
Inchi
InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
Formula
C
4
H
8
OS
PubChem ID
521869
Molweight
104.17
LogP
1.38
Atoms
14
Bonds
13
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
sulfur compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 82968
MS-MS Spectrum 144470
MS-MS Spectrum 82969
MS-MS Spectrum 144469
MS-MS Spectrum 144468
MS-MS Spectrum 82970
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Chryseobacterium Sp. AD48
na
na
Tyc et al., 2015
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
Janthinobacterium Sp. AD80
na
na
Tyc et al., 2015
Bacteria
AMI 386
na
breathing zone of a waste collection worker
Wilkins, 1996
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Bacteria
Loktanella Sp.
n/a
Schulz and Dickschat, 2007
Bacteria
Loktanella Sp. Bio-204
n/a
Dickschat et al., 2005_4
Bacteria
Streptomyces Albidoflavus
n/a
Schulz and Dickschat, 2007
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Chryseobacterium Sp. AD48
Tryptic soy broth agar
GC/MS-Q-TOF
No
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
Janthinobacterium Sp. AD80
Tryptic soy broth agar
GC/MS-Q-TOF
No
Bacteria
AMI 386
Nutrient agar CM3 + 50mg/l actidione
GC/MS
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Lactococcus Lactis
n/a
n/a
Bacteria
Loktanella Sp.
n/a
n/a
Bacteria
Loktanella Sp. Bio-204
n/a
n/a
Bacteria
Streptomyces Albidoflavus
n/a
n/a
S-methyl 2-methylpropanethioate
Compound Details
Synonymous names
Methyl isobutanethioate
JODNYDRGCYHKRC-UHFFFAOYSA-N
S-Methyl2-methylpropanethioate
S-Methyl 2-methylpropanethioate
S-methyl 2-methylthiopropionate
AC1LBL41
AC1Q68RT
2-Methylpropanethioic acid S-methyl ester
CTK1D4981
C49X23N7M7
SCHEMBL8581184
UNII-C49X23N7M7
DTXSID20194915
AKOS025396852
FEMA No. 4586
Propanethioic acid, 2-methyl-, S-methyl ester
42075-42-3
IUPAC name
S-methyl 2-methylpropanethioate
SMILES
CC(C)C(=O)SC
Inchi
InChI=1S/C5H10OS/c1-4(2)5(6)7-3/h4H,1-3H3
Formula
C
5
H
1
0
OS
PubChem ID
537722
Molweight
118.19
LogP
1.92
Atoms
17
Bonds
16
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
sulfur compounds
mVOC Specific Details
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Lactococcus Lactis
n/a
n/a
S-methyl Pentanethioate
Compound Details
Synonymous names
MWHCJABIXNVCHK-UHFFFAOYSA-N
S-Methyl pentanethioate
AC1LC1AI
Pentanethioic acid S-methyl ester
Pentanethioic acid, S-methyl ester
CTK1D3450
LP088550
SCHEMBL2554932
1-(METHYLSULFANYL)PENTAN-1-ONE
DTXSID20338054
42075-43-4
IUPAC name
S-methyl pentanethioate
SMILES
CCCCC(=O)SC
Inchi
InChI=1S/C6H12OS/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
Formula
C
6
H
1
2
OS
PubChem ID
546060
Molweight
132.22
LogP
2.27
Atoms
20
Bonds
19
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
sulfur compounds
mVOC Specific Details
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Lactococcus Lactis
n/a
n/a