Results for:
Species: Cytophaga-Flavobacterium-Bacteroides group strain ARK 10044

Signature

Tridecan-2-one

Mass-Spectra

Compound Details

Synonymous names	TRIDECANONE CYIFVRUOHKNECG-UHFFFAOYSA-N Hendecyl methyl ketone Mathyl undecyl kepoje Methyl undecyl ketone 2-TRIDECANONE 2-Tridecankje Tridecanone-2 2TD Methyl n-undecyl ketone ACMC-1AQBG AC1L1XR9 Tridecan-2-one H645 KSC270G4R 5Q35VHX26K CTK1H0348 CHEMBL480097 NSC14763 SCHEMBL119126 2-Tridecanone (natural) UNII-5Q35VHX26K LP001439 LS-1417 DTXSID4022070 ZINC1653218 DSSTox_CID_2070 2-Tridecanone, 99% CHEBI:77928 A832256 DSSTox_GSID_22070 EBD2211689 TRA0066951 AB1006140 CC-12003 NSC-14763 NSC 14763 KB-26232 AK-95269 AN-21550 AX8237196 ANW-33220 MFCD00008968 LMFA12000058 C-28181 DSSTox_RID_76479 DB-003333 TR-020580 ST51055389 AI3-04238 RTR-020580 ST24026018 AKOS009158653 W-105331 I14-6312 FT-0613458 FEMA No. 3388 2-Tridecanone, >=96%, FG Tox21_301838 593-08-8 NCGC00255260-01 CAS-593-08-8 EINECS 209-784-0 MolPort-003-927-112 2-Tridecanone, purum, >=97.0% (GC)
Microorganism:	Yes
IUPAC name	tridecan-2-one
SMILES	CCCCCCCCCCCC(=O)C
Inchi	InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
Formula	C13H26O
PubChem ID	11622
Molweight	198.35
LogP	4.81
Atoms	40
Bonds	39
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones Ketone

mVOC Specific Details

MS-Links

MS-MS Spectrum 69255 MS-MS Spectrum 69257 MS-MS Spectrum 69256 MS-MS Spectrum 127489 MS-MS Spectrum 127488 MS-MS Spectrum 127490

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Bacillus Amyloliquefaciens IN937a triggers induced systemic resistance (ISR) in Arabidopsis na Ryu et al., 2004 Bacteria Bacillus Cereus B-569 n/a Blom et al., 2011 Bacteria Bacillus Subtilis GB03 triggers induced systemic resistance (ISR) in Arabidopsis na Ryu et al., 2004 Bacteria Burkholderia Ambifaria LMG 17828 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19182 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere Groenhagen et al., 2013 Bacteria Burkholderia Andropogonis LMG 2129 n/a Blom et al., 2011 Bacteria Burkholderia Anthina LMG 20980 n/a Blom et al., 2011 Bacteria Burkholderia Caledonica LMG 19076 n/a Blom et al., 2011 Bacteria Burkholderia Fungorum LMG 16225 n/a Blom et al., 2011 Bacteria Burkholderia Glathei LMG 14190 n/a Blom et al., 2011 Bacteria Burkholderia Graminis LMG 18924 n/a Blom et al., 2011 Bacteria Burkholderia Lata LMG 22485 n/a Blom et al., 2011 Bacteria Burkholderia Phenoliruptrix LMG 22037 n/a Blom et al., 2011 Bacteria Calothrix Parietina PCC 6303 n/a Hoeckelmann et al., 2004 Bacteria Citrobacter Freundii ATCC 33128 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 Bacteria Corynebacterium Minutissimum ATCC 23348 clinical isolate,trunk of adult female Lemfack et al. 2016 Bacteria Enterobacter Aerogenes ATCC 13048 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 Bacteria Enterobacter Aerogenes KY2 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 Bacteria Enterobacter Cloacae ATCC 13047 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 Bacteria Enterococcus Durans ATCC 19432 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 Bacteria Enterococcus Faecium ATCC 19434 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 Bacteria Escherichia Coli National collection of type cultures (NCTC) UK Tait et al., 2014 Bacteria Escherichia Coli ATCC 25922 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 Bacteria Escherichia Coli OP50 n/a Blom et al., 2011 Bacteria Klebsiella Pneumoniae n/a Elgaali et al., 2002 Bacteria Lactobacillus Lactis ATCC 11955 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 Bacteria Leuconostoc Mesenteroides ATCC 8086 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 Bacteria Phormidium Sp. n/a Hoeckelmann et al., 2004 Bacteria Plectonema Notatum n/a Hoeckelmann et al., 2004 Bacteria Pseudomonas Aurantiaca n/a Fernando et al., 2005 Bacteria Pseudomonas Brassicacearum USB2104 na rhizosphere of bean plants, southern Italy Giorgio et al., 2015 Bacteria Pseudomonas Chlororaphis n/a Fernando et al., 2005 Bacteria Pseudomonas Corrugate n/a Fernando et al., 2005 Bacteria Pseudomonas Fluorescens n/a Fernando et al., 2005 Bacteria Pseudomonas Putida USB2105 na rhizosphere of bean plants, southern Italy Giorgio et al., 2015 Bacteria Rivularia Sp. n/a Hoeckelmann et al., 2004 Bacteria Salmonella Paratyphi KY 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 Bacteria Serratia Marcescens Db11 n/a Weise et al., 2014 Bacteria Serratia Marcescens MG1 n/a Blom et al., 2011 Bacteria Serratia Odorifera DSM 4582 n/a Weise et al., 2014 Bacteria Serratia Plymuthica 4Rx13 n/a Weise et al., 2014 Bacteria Serratia Plymuthica HRO-C48 n/a Blom et al., 2011 Bacteria Serratia Plymuthica IC14 n/a Blom et al., 2011 Bacteria Serratia Proteamaculans 568 n/a Weise et al., 2014 Bacteria Shigella Sonnei ATCCV 25931 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 Bacteria Streptococcus Thermophilus ATCC 14485 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 Fungi Pleurotus Cystidiosus na na Usami et al., 2014 Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Pseudochrobactrum Saccharolyticum AM180484 Nematicidal activity cow dung XU et al., 2015 Bacteria Wautersiella Falsenii AM238687 Nematicidal activity cow dung XU et al., 2015 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a Weise et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Bacillus Amyloliquefaciens IN937a Murashige and Skoog medium capillary GC;GC/MS Yes Bacteria Bacillus Cereus B-569 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Bacillus Subtilis GB03 Murashige and Skoog medium capillary GC;GC/MS Yes Bacteria Burkholderia Ambifaria LMG 17828 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19182 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Andropogonis LMG 2129 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Burkholderia Anthina LMG 20980 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Burkholderia Caledonica LMG 19076 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Burkholderia Fungorum LMG 16225 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Burkholderia Glathei LMG 14190 LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Burkholderia Graminis LMG 18924 LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Burkholderia Lata LMG 22485 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Burkholderia Phenoliruptrix LMG 22037 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Calothrix Parietina PCC 6303 n/a n/a Bacteria Citrobacter Freundii ATCC 33128 TS broth GC-MS SPME yes Bacteria Corynebacterium Minutissimum ATCC 23348 brain heart infusion medium Porapak / GC/MS no Bacteria Enterobacter Aerogenes ATCC 13048 TS broth GC-MS SPME yes Bacteria Enterobacter Aerogenes KY2 TS broth GC-MS SPME yes Bacteria Enterobacter Cloacae ATCC 13047 TS broth GC-MS SPME yes Bacteria Enterococcus Durans ATCC 19432 TS broth GC-MS SPME yes Bacteria Enterococcus Faecium ATCC 19434 TS broth GC-MS SPME yes Bacteria Escherichia Coli TS broth GC-FID no Bacteria Escherichia Coli ATCC 25922 TS broth GC-MS SPME yes Bacteria Escherichia Coli OP50 MR-VP and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Klebsiella Pneumoniae TS broth HS-SPME/GC-MS Bacteria Lactobacillus Lactis ATCC 11955 TS broth GC-MS SPME yes Bacteria Leuconostoc Mesenteroides ATCC 8086 TS broth GC-MS SPME yes Bacteria Phormidium Sp. n/a n/a Bacteria Plectonema Notatum n/a n/a Bacteria Pseudomonas Aurantiaca n/a n/a Bacteria Pseudomonas Brassicacearum USB2104 King's B Agar SPME-GC/MS No Bacteria Pseudomonas Chlororaphis n/a n/a Bacteria Pseudomonas Corrugate n/a n/a Bacteria Pseudomonas Fluorescens n/a n/a Bacteria Pseudomonas Putida USB2105 King's B Agar SPME-GC/MS No Bacteria Rivularia Sp. n/a n/a Bacteria Salmonella Paratyphi KY TS broth GC-MS SPME yes Bacteria Serratia Marcescens Db11 NBII Headspace trapping/ GC-MS Bacteria Serratia Marcescens MG1 LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Serratia Odorifera DSM 4582 NBII Headspace trapping/ GC-MS Bacteria Serratia Plymuthica 4Rx13 NBII Headspace trapping/ GC-MS Bacteria Serratia Plymuthica HRO-C48 Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Serratia Plymuthica IC14 LB and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) Bacteria Serratia Proteamaculans 568 NBII Headspace trapping/ GC-MS Bacteria Shigella Sonnei ATCCV 25931 TS broth GC-MS SPME yes Bacteria Streptococcus Thermophilus ATCC 14485 TS broth GC-MS SPME yes Fungi Pleurotus Cystidiosus na GC/MS, GC-O, AEDA No Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Pseudochrobactrum Saccharolyticum AM180484 LB liquid SPME-GC/MS Bacteria Wautersiella Falsenii AM238687 LB liquid SPME-GC/MS Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII Closed airflow-system/GC-MS and PTR-MS

Hexadecyl Acetate

Mass-Spectra

Compound Details

Synonymous names	PALMITYLACETATE hexadecanyl acetate Hexadecyl acetate LSTDYDRCKUBPDI-UHFFFAOYSA-N Palmityl acetate 1-Acetoxyhexadecane Cetyl acetate n-Hexadecyl ethanoate Acetic acid hexadecyl n-hexadecyl acetate Acetic acid hexadecyl ester 1-HEXADECANOL ACETATE Acelan A Acetic acid, hexadecyl ester AC1L1ZI0 1-Hexadecanol, acetate NSC8492 6490AF 1-Hexadecanol,1-acetate CTK5B6857 CHEMBL137354 SCHEMBL118101 4Q43814HXS DTXSID2052312 NSC-8492 NSC 8492 SBB061100 LP008853 ENT 1025 1-Hexadecanol, 1-acetate UNII-4Q43814HXS LS-74857 AN-22065 LMFA07010379 ZINC43381999 AI3-01025 ST51047166 AKOS024390930 BRN 1782695 629-70-9 3B1-006836 MCULE-2100485792 EINECS 211-103-7 4-02-00-00171 (Beilstein Handbook Reference)
Microorganism:	Yes
IUPAC name	hexadecyl acetate
SMILES	CCCCCCCCCCCCCCCCOC(=O)C
Inchi	InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
Formula	C18H36O2
PubChem ID	12393
Molweight	284.484
LogP	6.58
Atoms	56
Bonds	55
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Esters

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Flavobacteria Sp. n/a Schulz and Dickschat, 2007
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Flavobacteria Sp. n/a n/a

2,3,5-trimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names	TRIMETHYLPYRAZINE IAEGWXHKWJGQAZ-UHFFFAOYSA-N trimethyl pyrazine AC1L1BXH Q8PR0W8TIT Pyrazine, trimethyl- PubChem8613 UNII-Q8PR0W8TIT KSC491G1B ACMC-1BY58 7269AA CTK3J1310 SCHEMBL107646 VP40007 CHEMBL320146 2,3,6-Trimethylpyrazine 2,3,5-Trimethylpyrazine ZINC406999 CCRIS 2932 AK114354 LS-3140 ZB013735 HE143577 HE000396 DTXSID1047075 FCH1115105 SC-57940 DSSTox_GSID_47075 KB-16610 TRA0080217 AJ-22552 CJ-04110 CC-06738 AN-17422 ANW-21023 AX8010043 2,3,5-Trimethylpyrazine, analytical standard AC-10654 DSSTox_CID_27075 MFCD00006145 C-00829 2,3,5-Trimethyl-pyrazine 2,3,5-Trimethyl pyrazine ZINC00406999 DSSTox_RID_82089 ST51038047 ST24032258 TR-005827 RTR-005827 AI3-34442 DB-003800 Q-100171 AKOS015842577 I14-0728 FEMA No. 3244 FT-0609461 BRN 0002423 Pyrazine, 2,3,5-trimethyl Tox21_302314 2,3,5-Trimethylpyrazine, 99% MCULE-8809596878 Pyrazine, 2,3,5-trimethyl- NCGC00256135-01 2,3,5-Trimethyl pyrazine (natural) EINECS 238-712-0 14667-55-1 124765-77-1 CAS-14667-55-1 MolPort-002-497-752 2,3,5-Trimethylpyrazine, natural, >=95%, FG 2,3,5-Trimethylpyrazine, >=99%, FCC, FG InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H
Microorganism:	Yes
IUPAC name	2,3,5-trimethylpyrazine
SMILES	CC1=CN=C(C(=N1)C)C
Inchi	InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
Formula	C7H10N2
PubChem ID	26808
Molweight	122.171
LogP	-0.07
Atoms	19
Bonds	19
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen compounds heterocyclic compounds

mVOC Specific Details

MS-Links	MS-MS Spectrum 19788 MS-MS Spectrum 19787 MS-MS Spectrum 13117 MS-MS Spectrum 13116 MS-MS Spectrum 19789 MS-MS Spectrum 13115
1D-NMR-Links	1D NMR Spectrum 4106 1D NMR Spectrum 3839

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacteria-Bacteroides Group It is involved in fruit fly attraction to bacteria. Schulz and Dickschat, 2007 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a Weise et al., 2012 Bacteria Bacillus Simplex n/a Gu et al., 2007 Bacteria Bacillus Subtilis n/a Gu et al., 2007 Bacteria Bacillus Weihenstephanensis n/a Gu et al., 2007 Bacteria Microbacterium Oxydans n/a Gu et al., 2007 Bacteria Serratia Marcescens n/a Gu et al., 2007 Bacteria Stenotrophomonas Maltophilia n/a Gu et al., 2007 Bacteria Streptomyces Lateritius n/a Gu et al., 2007 Bacteria Burkholderia Ambifaria LMG 17828 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19182 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19467 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Citrobacter Freundii American Type Culture Collection Robacker and Bartelt 1997 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Enterobacter Agglomerans Robacker and Lauzon 2002 Bacteria Klebsiella Pneumoniae American Type Culture Collection Robacker and Bartelt 1997 Bacteria Pseudomonas Chlororaphis R47 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Fluorescens R76 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Frederiksbergensis S04 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Frederiksbergensis S24 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Jessenii S34 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Syringae S22 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Veronii R02 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Vranovensis R01 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Stenotrophomonas Maltophilia clinic Preti., 2009 Fungi Aspergillus Sp. Dickschat 2024 Fungi Fusarium Sp. Dickschat 2019 Fungi Pleurotus Cystidiosus na na Usami et al., 2014

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII Closed airflow-system/GC-MS and PTR-MS Bacteria Bacillus Simplex n/a n/a Bacteria Bacillus Subtilis n/a n/a Bacteria Bacillus Weihenstephanensis n/a n/a Bacteria Microbacterium Oxydans n/a n/a Bacteria Serratia Marcescens n/a n/a Bacteria Stenotrophomonas Maltophilia n/a n/a Bacteria Streptomyces Lateritius n/a n/a Bacteria Burkholderia Ambifaria LMG 17828 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19182 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19467 Luria-Bertani medium, Malt Extract n/a Bacteria Citrobacter Freundii tryptic soy broth SPME, GC-MS yes Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Enterobacter Agglomerans no Bacteria Klebsiella Pneumoniae tryptic soy broth SPME, GC-MS yes Bacteria Pseudomonas Chlororaphis R47 LB medium GC/MS Yes Bacteria Pseudomonas Fluorescens R76 LB medium GC/MS Yes Bacteria Pseudomonas Frederiksbergensis S04 LB medium GC/MS Yes Bacteria Pseudomonas Frederiksbergensis S24 LB medium GC/MS Yes Bacteria Pseudomonas Jessenii S34 LB medium GC/MS Yes Bacteria Pseudomonas Syringae S22 LB medium GC/MS Yes Bacteria Pseudomonas Veronii R02 LB medium GC/MS Yes Bacteria Pseudomonas Vranovensis R01 LB medium GC/MS Yes Bacteria Stenotrophomonas Maltophilia Blood agar/chocolate blood aga HS-SPME/GC-MS no Fungi Aspergillus Sp. no Fungi Fusarium Sp. no Fungi Pleurotus Cystidiosus na GC/MS, GC-O, AEDA No

Hexadecan-2-one

Compound Details

Synonymous names	Methyltetradecylketone XCXKZBWAKKPFCJ-UHFFFAOYSA-N Methyl tetradecyl ketone 2-HEXADECANONE ACMC-20anty Hexadecan-2-one LW5WI8V19D AC1L1H21 Cetan-2-one UNII-LW5WI8V19D CTK0H5530 SCHEMBL308802 CHEMBL3273568 LP002483 2-Hexadecanone, 98% BC4157562 DTXSID10172101 LS-74861 ZINC77293282 LMFA12000187 C-48175 AI3-33815 TC-170557 ACM18787638 J-012093 AKOS009158706 FT-0669157 BRN 1769889 TRA-0206219 EINECS 242-571-0 18787-63-8 4-01-00-03393 (Beilstein Handbook Reference)
Microorganism:	Yes
IUPAC name	hexadecan-2-one
SMILES	CCCCCCCCCCCCCCC(=O)C
Inchi	InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
Formula	C16H32O
PubChem ID	29251
Molweight	240.431
LogP	6.14
Atoms	49
Bonds	48
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones

mVOC Specific Details

MS-Links

MS-MS Spectrum 18978 MS-MS Spectrum 18979 MS-MS Spectrum 18977 MS-MS Spectrum 12307 MS-MS Spectrum 12305 MS-MS Spectrum 12306

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a

2,5-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names	LCZUOKDVTBMCMX-UHFFFAOYSA-N 2,5-Dimethylparadiazine AC1L1L8P 25R 2.5-dimethylpyrazine 2,5-DIMETHYLPYRAZINE PubChem8608 2,5-Dimethylpiazine V99Y0MUY1Q U038 KSC174O4P ZINC3182 2,5-Dimethylpyrazine, analytical standard UNII-V99Y0MUY1Q SCHEMBL82304 CHEMBL94709 CTK0H4747 D2171 PYRAZINE,2,5-DIMETHYL D1526 2,5-Dimethyl pyrazine 2,5-Dimethyl-pyrazine RP18895 RL01064 NSC49139 CCRIS 2929 HE141986 HE019470 SY011379 LS-2694 DTXSID6047652 ZB000534 SBB058647 BC651592 A805045 M-6330 CHEBI:89762 SC-47137 ST2409163 NSC 49139 2,5-Dimethylpyrazine (natural) NSC-49139 AJ-08168 AK-33017 TL8006998 AN-22913 ANW-41979 BR-33017 AC-10703 CJ-00091 ZINC00003182 MFCD00006147 RTC-020270 AI3-60303 DB-003236 2,5-dimethylpyrazine and 2,6-dimethylpyrazine TC-020270 KB-225969 ST45024376 2,5-Dimethylpyrazine, 98% Pyrazine, 2,5-dimethyl- AKOS003368403 Q-100107 I14-0729 FT-0610477 FEMA No. 3272 123-32-0 F0001-0364 2,5(2,6)-dimethylpyrazine mixture WLN: T6N DNJ B1 E1 2,5-Dimethyl-1,4-diazine NCGC00184236-02 NCGC00184236-01 MCULE-2763393473 2,5-Dimethylpyrazine, >=98%, FG EINECS 204-618-3 2,5 and 2,6-dimethyl pyrazine MolPort-001-769-724 2,5-Dimethyl Pyrazine; 2,5-Dimethyl-1,4-diazine InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H
Microorganism:	Yes
IUPAC name	2,5-dimethylpyrazine
SMILES	CC1=CN=C(C=N1)C
Inchi	InChI=1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
Formula	C6H8N2
PubChem ID	31252
Molweight	108.144
LogP	-0.2
Atoms	16
Bonds	16
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen compounds heterocyclic compounds

mVOC Specific Details

MS-Links	MS-MS Spectrum 9573 MS-MS Spectrum 9572 MS-MS Spectrum 226866 MS-MS Spectrum 9574 MS-MS Spectrum 16245 MS-MS Spectrum 16244 MS-MS Spectrum 16246
1D-NMR-Links	1D NMR Spectrum 4568 1D NMR Spectrum 4449

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Alcaligenes Faecalis n/a Zou et al., 2007 Bacteria Arthrobacter Nitroguajacolius n/a Zou et al., 2007 Bacteria Bacillus Spp. n/a Zou et al., 2007 Bacteria Lysobacter Gummosus n/a Zou et al., 2007 Bacteria Sporosarcina Ginsengisoli n/a Zou et al., 2007 Bacteria Stenotrophomonas Maltophilia n/a Zou et al., 2007 Bacteria Arthrobacter Agilis UMCV2 na rhizosphere of maize plants Velázquez-Becerra et al.,2011 Bacteria Burkholderia Ambifaria LMG 17828 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19182 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Burkholderia Ambifaria LMG 19467 n/a Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical. Groenhagen et al., 2013 Bacteria Chondromyces Crocatus Cm C5 n/a Schulz et al., 2004 Bacteria Citrobacter Freundii American Type Culture Collection Robacker and Bartelt 1997 Bacteria Cytophaga-Flavobacteria-Bacteroides Group It is involved in fruit fly attraction to bacteria. Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Enterobacter Agglomerans Robacker and Lauzon 2002 Bacteria Klebsiella Pneumoniae American Type Culture Collection Robacker and Bartelt 1997 Bacteria Octadecabacter Sp. ARK10255b n/a Dickschat et al., 2005_3 Bacteria Pseudomonas Aeruginosa PA01 na na Briard et al., 2016 Bacteria Pseudomonas Chlororaphis R47 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Fluorescens R76 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Frederiksbergensis S04 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Frederiksbergensis S24 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Jessenii S34 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Syringae S22 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Veronii R02 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Pseudomonas Vranovensis R01 na rhizosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Serratia Spp. B2675 n/a Bruce et al., 2004 Bacteria Serratia Spp. B675 n/a Bruce et al., 2004 Bacteria Staphylococcus Aureus Robacker and Flath 1995 Bacteria Staphylococcus Sciuri na from the gut flora of pea aphid Acyrthosiphon pisum honeydew Leroy et al., 2011 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a Weise et al., 2012 Fungi Aspergillus Sp. Dickschat 2023 Fungi Fusarium Sp. Dickschat 2018 Fungi Pleurotus Cystidiosus na na Usami et al., 2014 Fungi Saccharomyces Cerevisiae Y1001 n/a Bruce et al., 2004 Bacteria Pseudomonas Putida BP25 na black pepper root Sheoran et al., 2015 Bacteria Pseudomonas Putida BP25R positive influence of the plant root growth and protection against soil-borne pathogens Sheoran et al., 2015

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Alcaligenes Faecalis n/a n/a Bacteria Arthrobacter Nitroguajacolius n/a n/a Bacteria Bacillus Spp. n/a n/a Bacteria Lysobacter Gummosus n/a n/a Bacteria Sporosarcina Ginsengisoli n/a n/a Bacteria Stenotrophomonas Maltophilia n/a n/a Bacteria Arthrobacter Agilis UMCV2 NA medium SPME-GC/MS No Bacteria Burkholderia Ambifaria LMG 17828 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19182 Luria-Bertani medium, Malt Extract n/a Bacteria Burkholderia Ambifaria LMG 19467 Luria-Bertani medium, Malt Extract n/a Bacteria Chondromyces Crocatus Cm C5 n/a n/a Bacteria Citrobacter Freundii tryptic soy broth SPME, GC-MS yes Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Enterobacter Agglomerans no Bacteria Klebsiella Pneumoniae tryptic soy broth SPME, GC-MS yes Bacteria Octadecabacter Sp. ARK10255b n/a n/a Bacteria Pseudomonas Aeruginosa PA01 minimal medium/ Brian medium SPME-GC/MS No Bacteria Pseudomonas Chlororaphis R47 LB medium GC/MS Yes Bacteria Pseudomonas Fluorescens R76 LB medium GC/MS Yes Bacteria Pseudomonas Frederiksbergensis S04 LB medium GC/MS Yes Bacteria Pseudomonas Frederiksbergensis S24 LB medium GC/MS Yes Bacteria Pseudomonas Jessenii S34 LB medium GC/MS Yes Bacteria Pseudomonas Syringae S22 LB medium GC/MS Yes Bacteria Pseudomonas Veronii R02 LB medium GC/MS Yes Bacteria Pseudomonas Vranovensis R01 LB medium GC/MS Yes Bacteria Serratia Spp. B2675 n/a n/a Bacteria Serratia Spp. B675 n/a n/a Bacteria Staphylococcus Aureus no Bacteria Staphylococcus Sciuri 875 liquid medium SPME-GC/MS Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII Closed airflow-system/GC-MS and PTR-MS Fungi Aspergillus Sp. no Fungi Fusarium Sp. no Fungi Pleurotus Cystidiosus na GC/MS, GC-O, AEDA No Fungi Saccharomyces Cerevisiae Y1001 n/a n/a Bacteria Pseudomonas Putida BP25 Luria Bertani Agar Headspace GC/MS No Bacteria Pseudomonas Putida BP25R TSB Propak Q adsorbent trap/GC-MS

Pentadecan-2-one

Mass-Spectra

Compound Details

Synonymous names	Pentadecanone CJPNOLIZCWDHJK-UHFFFAOYSA-N Methyl tridecyl ketone SSV 2-PENTADECANONE AC1L1UYR Pentadecan-2-one 1569AB P1063 CTK1A3861 SCHEMBL336157 ACMC-209g3f B2Q48J997N DTXSID6062333 LP006644 CHEMBL3273567 CHEBI:89254 ZINC1850860 UNII-B2Q48J997N AX8077970 ST2419773 ACM2345280 AK-86074 ANW-25129 AN-19908 LMFA12000056 MFCD00053712 AI3-11706 RT-000810 KB-174026 AKOS009157795 2-Pentadecanone, >=98.5% J-015112 FEMA No. 3724 FT-0613261 2-Pentadecanone, >=98%, FG I14-49263 2345-28-0 EINECS 219-064-8 (3e,5e,7e,9e,11e,13e)-Pentadeca-3,5,7,9,11,13-Hexaen-2-One
Microorganism:	Yes
IUPAC name	pentadecan-2-one
SMILES	CCCCCCCCCCCCCC(=O)C
Inchi	InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
Formula	C15H30O
PubChem ID	61303
Molweight	226.404
LogP	5.7
Atoms	46
Bonds	45
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones Ketone

mVOC Specific Details

MS-Links

MS-MS Spectrum 14017 MS-MS Spectrum 7345 MS-MS Spectrum 14016 MS-MS Spectrum 7344 MS-MS Spectrum 14015 MS-MS Spectrum 7343

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Bacillus Strain D13 antibacterial soil Malaysia and Tibet, China General Microbial culture center CGMCC Xie et al. 2016 Bacteria Burkholderia Ambifaria LMG 19182 Groenhagen et al., 2013 Bacteria Collimonas Fungivorans Ter331 n/a Garbeva et al., 2013 Bacteria Corynebacterium Accolens V12028 clinical isolate Lemfack et al. 2016 Bacteria Corynebacterium Jeikeum V12131 clinical isolate Lemfack et al. 2016 Bacteria Corynebacterium Jeikeum V12209 clinical isolate Lemfack et al. 2016 Bacteria Corynebacterium Minutissimum ATCC 23348 clinical isolate,trunk of adult female Lemfack et al. 2016 Bacteria Corynebacterium Striatum RV2 clinical isolate Lemfack et al. 2016 Bacteria Corynebacterium Striatum V6894 clinical isolate Lemfack et al. 2016 Bacteria Pseudomonas Brassicacearum USB2104 na rhizosphere of bean plants, southern Italy Giorgio et al., 2015 Bacteria Pseudomonas Syringae S22 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria Serratia Marcescens Db11 n/a Weise et al., 2014 Bacteria Serratia Odorifera DSM 4582 n/a Weise et al., 2014 Bacteria Serratia Plymuthica 4Rx13 n/a Weise et al., 2014 Bacteria Serratia Plymuthica AS9 n/a Weise et al., 2014 Bacteria Serratia Plymuthica PRI-2C na maize rhizosphere, Netherlands Garbeva et al., 2014 Bacteria Serratia Proteamaculans 568 n/a Weise et al., 2014 Bacteria Staphylococcus Epidermidis ATCC 12228 Lemfack et al. 2016 Bacteria Staphylococcus Epidermidis ATCC 14990 clinical isolate,nose Lemfack et al. 2016 Bacteria Staphylococcus Epidermidis DSM 3269 clinical isolate,catheter Lemfack et al. 2016 Bacteria Staphylococcus Epidermidis RP62A clinical isolate,catheter Lemfack et al. 2016 Bacteria Staphylococcus Haemolyticus CCM 2729 clinical isolate,human skin Lemfack et al. 2016 Bacteria Staphylococcus Intermedius 9S clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Saccharolyticus B5709 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Schleiferi DSMZ 4807 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Schleiferi H34 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Schleiferi V431 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Sciuri ATCC 29061 Southernflying squirrel skin Lemfack et al. 2016 Bacteria Staphylococcus Sciuri V405 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Sciuri Y clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Warneri CCM 2730 clinical isolate,human skin Lemfack et al. 2016 Fungi Fusarium Solani Takeuchi et al. 2014 Fungi Pleurotus Cystidiosus na na Usami et al., 2014 Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB)M n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a Weise et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Bacillus Strain D13 LB SPME-GC-MS yes Bacteria Burkholderia Ambifaria LMG 19182 Luria-Bertani medium, Malt Extract Yes Bacteria Collimonas Fungivorans Ter331 Headspace trapping/GC-MS Bacteria Corynebacterium Accolens V12028 brain heart infusion medium Porapak / GC/MS no Bacteria Corynebacterium Jeikeum V12131 brain heart infusion medium Porapak / GC/MS no Bacteria Corynebacterium Jeikeum V12209 brain heart infusion medium Porapak / GC/MS no Bacteria Corynebacterium Minutissimum ATCC 23348 brain heart infusion medium Porapak / GC/MS no Bacteria Corynebacterium Striatum RV2 brain heart infusion medium Porapak / GC/MS no Bacteria Corynebacterium Striatum V6894 brain heart infusion medium Porapak / GC/MS no Bacteria Pseudomonas Brassicacearum USB2104 King's B Agar SPME-GC/MS No Bacteria Pseudomonas Syringae S22 LB medium GC/MS Yes Bacteria Serratia Marcescens Db11 NBII Headspace trapping/ GC-MS Bacteria Serratia Odorifera DSM 4582 NBII Headspace trapping/ GC-MS Bacteria Serratia Plymuthica 4Rx13 NBII Headspace trapping/ GC-MS Bacteria Serratia Plymuthica AS9 NBII Headspace trapping/ GC-MS Bacteria Serratia Plymuthica PRI-2C sand containing artificial root exudates GC/MS No Bacteria Serratia Proteamaculans 568 NBII Headspace trapping/ GC-MS Bacteria Staphylococcus Epidermidis ATCC 12228 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Epidermidis ATCC 14990 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Epidermidis DSM 3269 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Epidermidis RP62A brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Haemolyticus CCM 2729 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Intermedius 9S brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Saccharolyticus B5709 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Schleiferi DSMZ 4807 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Schleiferi H34 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Schleiferi V431 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Sciuri ATCC 29061 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Sciuri V405 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Sciuri Y brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Warneri CCM 2730 brain heart infusion medium Porapak / GC/MS no Fungi Fusarium Solani no Fungi Pleurotus Cystidiosus na GC/MS, GC-O, AEDA No Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB)M n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII Closed airflow-system/GC-MS and PTR-MS

Tetradecan-2-one

Mass-Spectra

Compound Details

Synonymous names	Tetradecanone POQLVOYRGNFGRM-UHFFFAOYSA-N Dodecyl Methyl Ketone 2-Tetradecanone AC1L2OLR ACMC-1CMQZ AC1Q5H9K Tetradecan-2-one CTK0G2371 SCHEMBL162632 AK165108 LP066979 ZINC1841306 CHEBI:89818 ACM2345279 DTXSID10177999 ANW-25128 LMFA12000177 MFCD00060927 C-46903 KB-176095 TC-113873 AKOS009159000 I14-57352 2345-27-9 EINECS 219-063-2 109604-31-1
Microorganism:	Yes
IUPAC name	tetradecan-2-one
SMILES	CCCCCCCCCCCCC(=O)C
Inchi	InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
Formula	C14H28O
PubChem ID	75364
Molweight	212.377
LogP	5.25
Atoms	43
Bonds	42
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones

mVOC Specific Details

MS-Links

MS-MS Spectrum 82572 MS-MS Spectrum 82573 MS-MS Spectrum 143973 MS-MS Spectrum 143975 MS-MS Spectrum 143974 MS-MS Spectrum 82574

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a

13-methyltetradecan-2-one

Compound Details

Synonymous names	SCHEMBL8896028
Microorganism:	Yes
IUPAC name	13-methyltetradecan-2-one
SMILES	CC(C)CCCCCCCCCCC(=O)C
Inchi	InChI=1S/C15H30O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(3)16/h14H,4-13H2,1-3H3
Formula	C15H30O
PubChem ID	19931290
Molweight	226.404
LogP	5.54
Atoms	46
Bonds	45
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a Weise et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII Closed airflow-system/GC-MS and PTR-MS

(Z)-pentadec-8-en-2-one

Compound Details

Synonymous names	8Z-Pentadecen-2-one SCHEMBL3419299 LMFA12000180
Microorganism:	Yes
IUPAC name	(Z)-pentadec-8-en-2-one
SMILES	CCCCCCC=CCCCCCC(=O)C
Inchi	InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h8-9H,3-7,10-14H2,1-2H3/b9-8-
Formula	C15H28O
PubChem ID	12811248
Molweight	224.388
LogP	5.34
Atoms	44
Bonds	43
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	ketones alkenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 Inhibited growth of Agrobacterium tumefaciens. Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 Inhibited growth of Agrobacterium tumefaciens. Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 Inhibited growth of Agrobacterium tumefaciens. Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 Inhibited growth of Agrobacterium tumefaciens. Dickschat et al., 2005_3

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a

Compound Details

Synonymous names	RGQOHKMKTPQXIW-UHFFFAOYSA-N 11-Methyl-2-tridecanone SCHEMBL12527525
Microorganism:	Yes
IUPAC name
SMILES
Inchi
Formula
PubChem ID	88931680
Molweight	212.377
LogP	5.09
Atoms	43
Bonds	42
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	ketones

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Staphylococcus Epidermidis ATCC 12228 Lemfack et al. 2016 Bacteria Staphylococcus Epidermidis ATCC 14990 clinical isolate,nose Lemfack et al. 2016 Bacteria Staphylococcus Epidermidis DSM 3269 clinical isolate,catheter Lemfack et al. 2016 Bacteria Staphylococcus Epidermidis RP62A clinical isolate,catheter Lemfack et al. 2016 Bacteria Staphylococcus Haemolyticus CCM 2729 clinical isolate,human skin Lemfack et al. 2016 Bacteria Staphylococcus Saccharolyticus B5709 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Schleiferi DSMZ 4807 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Schleiferi H34 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Schleiferi V431 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Sciuri ATCC 29061 Southernflying squirrel skin Lemfack et al. 2016 Bacteria Staphylococcus Sciuri H4286 clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Sciuri OR clinical isolate Lemfack et al. 2016 Bacteria Staphylococcus Warneri CCM 2730 clinical isolate,human skin Lemfack et al. 2016 Bacteria Streptomyces Sp. GWS-BW-H5. n/a Dickschat et al., 2005_2 Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Stigmatella Aurantiaca n/a Schulz and Dickschat, 2007 Bacteria Streptomyces Caviscabies n/a Schulz and Dickschat, 2007 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a phyllosphere of the plant (Capsicum sp.) Weise et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Staphylococcus Epidermidis ATCC 12228 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Epidermidis ATCC 14990 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Epidermidis DSM 3269 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Epidermidis RP62A brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Haemolyticus CCM 2729 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Saccharolyticus B5709 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Schleiferi DSMZ 4807 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Schleiferi H34 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Schleiferi V431 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Sciuri ATCC 29061 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Sciuri H4286 brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Sciuri OR brain heart infusion medium Porapak / GC/MS no Bacteria Staphylococcus Warneri CCM 2730 brain heart infusion medium Porapak / GC/MS no Bacteria Streptomyces Sp. GWS-BW-H5. n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Stigmatella Aurantiaca n/a n/a Bacteria Streptomyces Caviscabies n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII The bacteria was grow at 30°C in closed airflow-system for VOCs collection VOCs were analyzed by GC/MS and PTR-MS

12-methyltridecan-2-one

Compound Details

Synonymous names	SCHEMBL12526756
Microorganism:	Yes
IUPAC name	12-methyltridecan-2-one
SMILES	CC(C)CCCCCCCCCC(=O)C
Inchi	InChI=1S/C14H28O/c1-13(2)11-9-7-5-4-6-8-10-12-14(3)15/h13H,4-12H2,1-3H3
Formula	C14H28O
PubChem ID	88931455
Molweight	212.377
LogP	5.09
Atoms	43
Bonds	42
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	ketones

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a phyllosphere of the plant (Capsicum sp.) Weise et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII The bacteria was grow at 30°C in closed airflow-system for VOCs collection VOCs were analyzed by GC/MS and PTR-MS

13-methylpentadecan-2-one

Compound Details

Synonymous names	SCHEMBL11893269
Microorganism:	Yes
IUPAC name	13-methylpentadecan-2-one
SMILES	CCC(C)CCCCCCCCCCC(=O)C
Inchi	InChI=1S/C16H32O/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(3)17/h15H,4-14H2,1-3H3
Formula	C16H32O
PubChem ID	88850022
Molweight	240.431
LogP	5.98
Atoms	49
Bonds	48
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	ketones

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a phyllosphere of the plant (Capsicum sp.) Weise et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII The bacteria was grow at 30°C in closed airflow-system for VOCs collection VOCs were analyzed by GC/MS and PTR-MS

14-methylpentadecan-2-one

Compound Details

Synonymous names	14-Methylpentadecane-2-one SCHEMBL15026773
Microorganism:	Yes
IUPAC name	14-methylpentadecan-2-one
SMILES	CC(C)CCCCCCCCCCCC(=O)C
Inchi	InChI=1S/C16H32O/c1-15(2)13-11-9-7-5-4-6-8-10-12-14-16(3)17/h15H,4-14H2,1-3H3
Formula	C16H32O
PubChem ID	89625099
Molweight	240.431
LogP	5.98
Atoms	49
Bonds	48
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	ketones

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a Dickschat et al., 2005_3 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 n/a phyllosphere of the plant (Capsicum sp.) Weise et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10044 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10141 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146 n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Xanthomonas Campestris Pv. Vesicatoria 85-10 NBII The bacteria was grow at 30°C in closed airflow-system for VOCs collection VOCs were analyzed by GC/MS and PTR-MS