Results for:
Species: Sulfitobacter pontiacus BIO-007

Signature

2,3,5,6-tetramethylpyrazine

Mass-Spectra

Compound Details

Synonymous names	Tetramethylpyrazin TETRAMETHYLPYRAZINE Chuanxiongzine chuanxingzine Ligustrazine Liqustrazine Tetrapyrazine Ligustizine FINHMKGKINIASC-UHFFFAOYSA- FINHMKGKINIASC-UHFFFAOYSA-N TMPZ Bs factor Pyrazine, tetramethyl- PubChem8617 V80F4IA5XG AC1L23J7 H601 KSC491G1N ZINC4042 CT0189 SCHEMBL77624 UNII-V80F4IA5XG CTK3J1316 N1918 2,5,6-Tetramethylpyrazine ACMC-2099er CHEMBL303697 NSC36080 NSC46451 FEMA 3237 HMS2235K03 HMS3371J08 BBL012277 BT000139 DTXSID6047070 HE000625 HE143578 HE296334 LS-3117 Opera_ID_849 SBB085945 STL163591 SY011353 ZB000557 A802574 M-4966 AC-10515 AJ-08191 AK-47432 AN-20604 ANW-16465 BR-47432 CJ-00093 DSSTox_GSID_47070 KB-81076 NSC 36080 NSC 46451 NSC-36080 NSC-46451 SC-43874 TRA0067329 ACN-S003305 BB_NC-2565 CHEBI:133246 DSSTox_CID_27070 DSSTox_RID_82085 MFCD00006146 ZINC00004042 2,3,5,6-Tetramethylpyrazine AM20070299 CCG-207974 DB-003786 RTR-002428 ST24032257 ST45025457 TR-002428 AKOS003398567 I14-0730 Q-100069 FEMA No. 3237 FT-0609443 MLS000069594 Nat.2,3,5,6-Tetramethylpyrazine SMR000059042 2,3,5,6-Tetramethylpyrazine, analytical standard 2,3,5,6-Tetramethyl pyrazine 2,3,5,6-Tetramethyl-pyrazine Tox21_302313 Z1741976694 1124-11-4 MCULE-2834033564 NCGC00247063-01 NCGC00256097-01 2,3,5,6-Tetramethylpyrazine (natural) EINECS 214-391-2 Pyrazine, 2,3,5,6-tetramethyl 87396-75-6 93615-56-6 CAS-1124-11-4 2,3,5,6-Tetramethylpyrazine, 98% MolPort-002-473-658 Pyrazine, 2,3,5,6-tetramethyl- AC-907/25014219 76494-51-4 (hydrochloride) 2,3,5,6-TETRAMETHYL-1,4-PYRAZINE 2,3,5,6-Tetramethylpyrazine, >=98%, FG 2,3,5,6,-Tetramethyl-1,4-pyrazine 2,3,5,6-Tetramethylpyrazine, natural, >=98%, FG 2,3,5,6-Tetramethylpyrazine, Vetec(TM) reagent grade, 98% InChI=1/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
Microorganism:	Yes
IUPAC name	2,3,5,6-tetramethylpyrazine
SMILES	CC1=C(N=C(C(=N1)C)C)C
Inchi	InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
Formula	C8H12N2
PubChem ID	14296
Molweight	136.198
LogP	0.06
Atoms	22
Bonds	22
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen compounds heterocyclic compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 89679 MS-MS Spectrum 152659 MS-MS Spectrum 152658 MS-MS Spectrum 152660 MS-MS Spectrum 89680 MS-MS Spectrum 89681

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Bacillus Spp. n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a Schulz and Dickschat, 2007 Bacteria Bacillus Amyloliquefaciens IN937a triggers induced systemic resistance (ISR) in Arabidopsis na Ryu et al., 2004 Bacteria Bacillus Subtilis 168 triggers induced systemic resistance (ISR) in Arabidopsis na Ryu et al., 2004 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 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 Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_4 Bacteria Loktanella Hongkongensis Strain Bio-204 n/a Dickschat et al., 2005_6 Bacteria Loktanella Sp. Bio-204 n/a Dickschat et al., 2005_4 Bacteria Pseudomonas Chlororaphis R47 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 Stappia Marina Strain DFL-11 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Dubius BIO-205 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Bacillus Spp. n/a n/a Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a n/a Bacteria Bacillus Amyloliquefaciens IN937a Murashige and Skoog medium capillary GC;GC/MS Yes Bacteria Bacillus Subtilis 168 Murashige and Skoog medium capillary GC;GC/MS Yes 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 Ambifaria LMG 19467 Luria-Bertani medium, Malt Extract n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a n/a Bacteria Loktanella Hongkongensis Strain Bio-204 n/a n/a Bacteria Loktanella Sp. Bio-204 n/a n/a Bacteria Pseudomonas Chlororaphis R47 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 Stappia Marina Strain DFL-11 n/a n/a Bacteria Sulfitobacter Dubius BIO-205 n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a

2-ethyl-5-methylpyrazine

Mass-Spectra

Compound Details

Synonymous names	OXCKCFJIKRGXMM-UHFFFAOYSA-N coffee pyrazine 2,5-Methylethylpyrazine KSC496A6B AC1L1A10 2-ETHYL-5-METHYLPYRAZINE CHEMBL94558 2-Methyl-5-ethylpyrazine 5-ethyl-2-methylpyrazine CTK3J6060 SCHEMBL110053 W41R8X574D HE028648 LS-2737 Jsp002048 2-Ethyl-5-methyl pyrazine DTXSID6065422 FCH838652 ZINC2019686 UNII-W41R8X574D AJ-32721 ANW-63987 AX8074608 CJ-07421 ZINC02019686 MFCD09039261 KB-170340 AI3-34443 ST51053998 Pyrazine, 5-ethyl-2-methyl RT-002853 I14-1021 2-Ethyl-5(or6)-methylpyrazine W-108295 AKOS006272101 FEMA No. 3154 FT-0653309 BRN 0956719 Pyrazine, 2-ethyl-5-methyl- 2-Ethyl-5-methylpyrazine mix 2-Ethyl-6-methylpyrazine EINECS 236-416-6 EINECS 253-175-2 13360-64-0 2-Ethyl-5-methylpyrazine, 9CI, 8CI 2-Ethyl-(5/6)-Methyl Pyrazine MolPort-003-960-069 1216457-85-0
Microorganism:	Yes
IUPAC name	2-ethyl-5-methylpyrazine
SMILES	CCC1=NC=C(N=C1)C
Inchi	InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
Formula	C7H10N2
PubChem ID	25915
Molweight	122.171
LogP	0.5
Atoms	19
Bonds	19
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds heterocyclic compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 46027 MS-MS Spectrum 134110 MS-MS Spectrum 46026 MS-MS Spectrum 134109 MS-MS Spectrum 46028 MS-MS Spectrum 134111

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_6 Bacteria Loktanella Hongkongensis Strain Bio-204 n/a Dickschat et al., 2005_6 Bacteria Oceanibulbus Indolifex HEL-45 n/a Dickschat et al., 2005_6 Bacteria Roseobacter Gallaeciensis Strain PIC-68 n/a Dickschat et al., 2005_6 Bacteria Stappia Marina Strain DFL-11 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Sp. PIC-70 n/a Dickschat et al., 2005_6 Fungi Aspergillus Sp. Dickschat 2025 Fungi Fusarium Sp. Dickschat 2020 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 Dinoroseobacter Shibae Strain DFL-27 n/a n/a Bacteria Loktanella Hongkongensis Strain Bio-204 n/a n/a Bacteria Oceanibulbus Indolifex HEL-45 n/a n/a Bacteria Roseobacter Gallaeciensis Strain PIC-68 n/a n/a Bacteria Stappia Marina Strain DFL-11 n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a Bacteria Sulfitobacter Sp. PIC-70 n/a n/a Fungi Aspergillus Sp. no Fungi Fusarium Sp. no Bacteria Pseudomonas Putida BP25 Luria Bertani Agar Headspace GC/MS No Bacteria Pseudomonas Putida BP25R TSB Propak Q adsorbent trap/GC-MS

3-ethyl-2,5-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names	WHMWOHBXYIZFPF-UHFFFAOYSA-N G2FB13VLOG UNII-G2FB13VLOG AC1L1A13 CHEMBL95123 UNII-1D80F4PE6E component WHMWOHBXYIZFPF-UHFFFAOYSA-N SCHEMBL160005 3,6-cocoa pyrazine Jsp002049 HE307053 HE030254 FCH838543 DTXSID1065423 ZINC2019685 3,6-Dimethyl-2-ethylpyrazine 3-Ethyl-2,5-dimethylpyrazine 3-Ethyl-2,5-dimethylpirazine 2,5-DIMETHYL-3-ETHYLPYRAZINE 2-Ethyl-3,6-dimethylpyrazine AN-19571 MFCD00053098 AKOS006271522 3-Ethyl-2,5-dimethyl-pyrazine W-108294 2-ethyl-3,6-dimethyl pyrazine Pyrazine, 2-ethyl-3,6-dimethyl PYRAZINE,3-ETHYL-2,5-DIMETHYL- Pyrazine, 2-ethyl-3,?-dimethyl- EINECS 236-417-1 Pyrazine, 3-ethyl-2,5-dimethyl- 13360-65-1 2-ethyl-3,(5 or 6)-dimethylpyrazine
Microorganism:	Yes
IUPAC name	3-ethyl-2,5-dimethylpyrazine
SMILES	CCC1=NC(=CN=C1C)C
Inchi	InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
Formula	C8H12N2
PubChem ID	25916
Molweight	136.198
LogP	0.63
Atoms	22
Bonds	22
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 46137 MS-MS Spectrum 46138 MS-MS Spectrum 176592 MS-MS Spectrum 176593 MS-MS Spectrum 46139 MS-MS Spectrum 176594

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Pseudomonas Putida BP25R positive influence of the plant root growth and protection against soil-borne pathogens Sheoran et al., 2015 Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_4 Bacteria Loktanella Sp. Bio-204 n/a Dickschat et al., 2005_4 Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_6 Bacteria Loktanella Hongkongensis Strain Bio-204 n/a Dickschat et al., 2005_6 Bacteria Oceanibulbus Indolifex HEL-45 n/a Dickschat et al., 2005_6 Bacteria Roseobacter Gallaeciensis Strain PIC-68 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Dubius BIO-205 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Sp. PIC-70 n/a Dickschat et al., 2005_6

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Pseudomonas Putida BP25R TSB Propak Q adsorbent trap/GC-MS Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a n/a Bacteria Loktanella Sp. Bio-204 n/a n/a Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Loktanella Hongkongensis Strain Bio-204 n/a n/a Bacteria Oceanibulbus Indolifex HEL-45 n/a n/a Bacteria Roseobacter Gallaeciensis Strain PIC-68 n/a n/a Bacteria Sulfitobacter Dubius BIO-205 n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a Bacteria Sulfitobacter Sp. PIC-70 n/a n/a

2-ethyl-3,5,6-trimethylpyrazine

Compound Details

Synonymous names	Trimethylethylpyrazine Ethyltrimethylpyrazine ETHYLTRIMETHYL-PYRAZINE FPOLJKZKOKXIFE-UHFFFAOYSA-N Pyrazine, ethyltrimethyl Pyrazine, ethyltrimethyl- HGS2G1S1XY AC1L1FI7 UNII-HGS2G1S1XY 8990AA CTK4D4842 SCHEMBL3457245 AK123359 HE155673 FCH861434 ZINC2018015 DTXSID10169738 AX8247537 AJ-32650 KB-230396 AKOS006290969 6-Ethyl-2,3,5-trimethylpyrazine 2,3,6-Trimethyl-5-ethylpyrazine 2,3,5-Trimethyl-6-ethylpyrazine 2-ETHYL-3,5,6-TRIMETHYLPYRAZINE I14-13678 17398-16-2 Pyrazine, 2-ethyl-3,5,6-trimethyl-
Microorganism:	Yes
IUPAC name	2-ethyl-3,5,6-trimethylpyrazine
SMILES	CCC1=NC(=C(N=C1C)C)C
Inchi	InChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
Formula	C9H14N2
PubChem ID	28518
Molweight	150.225
LogP	0.76
Atoms	25
Bonds	25
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen compounds heterocyclic compounds

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a Schulz and Dickschat, 2007 Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a Dickschat et al., 2005_3 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga-Flavobacteria-Bacteroides Group n/a n/a Bacteria Cytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267 n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a

2-methyl-5-propan-2-ylpyrazine

Compound Details

Synonymous names	PGTQKVQDZHXLOP-UHFFFAOYSA-N AC1L1VRA 2-Isopropyl-5-methylpyrazine 2-Methyl-5-isopropylpyrazine 5-Isopropyl-2-methylpyrazine CTK4C1701 SCHEMBL179362 2-methyl-5-isopropyl pyrazine 818RIW504V DTXSID7065677 HE094544 HE030272 UNII-818RIW504V ZINC1850662 2-methyl-5-propan-2-ylpyrazine KB-173344 AKOS006326657 FEMA No. 3554 Pyrazine, 2-isopropyl-5-methyl- I14-44938 2-Methyl-5-(1-methylethyl)pyrazine 2-methyl-5-(propan-2-yl)pyrazine 13925-05-8 Pyrazine,2-methyl-5-(1-methylethyl)- Pyrazine, 2-methyl-5-(1-methylethyl)-
Microorganism:	Yes
IUPAC name	2-methyl-5-propan-2-ylpyrazine
SMILES	CC1=CN=C(C=N1)C(C)C
Inchi	InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
Formula	C8H12N2
PubChem ID	61700
Molweight	136.198
LogP	1.04
Atoms	22
Bonds	22
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds nitrogen compounds heterocylces

mVOC Specific Details

MS-Links	MS-MS Spectrum 79191 MS-MS Spectrum 139732 MS-MS Spectrum 139731 MS-MS Spectrum 79193 MS-MS Spectrum 79192 MS-MS Spectrum 139733
MS-Links	GC-MS Spectrum 2991

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Chondromyces Crocatus Cm C2 n/a Schulz et al., 2004 Bacteria Chondromyces Crocatus Cm C5 n/a Schulz et al., 2004 Fungi Pleurotus Cystidiosus na na Usami et al., 2014 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 Chondromyces Crocatus n/a Schulz and Dickschat, 2007 Bacteria Klebsiella Pneumoniae n/a Schulz and Dickschat, 2007 Bacteria Paenibacillus Polymyxa n/a Schulz and Dickschat, 2007 Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_6 Bacteria Jannaschia Helgolandensis Strain HEL-26 n/a Dickschat et al., 2005_6 Bacteria Loktanella Hongkongensis Strain Bio-204 n/a Dickschat et al., 2005_6 Bacteria Oceanibulbus Indolifex HEL-45 n/a Dickschat et al., 2005_6 Bacteria Roseobacter Gallaeciensis Strain PIC-68 n/a Dickschat et al., 2005_6 Bacteria Stappia Marina Strain DFL-11 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Sp. PIC-70 n/a Dickschat et al., 2005_6

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Chondromyces Crocatus Cm C2 n/a n/a Bacteria Chondromyces Crocatus Cm C5 n/a n/a Fungi Pleurotus Cystidiosus na GC/MS, GC-O, AEDA 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 Chondromyces Crocatus n/a n/a Bacteria Klebsiella Pneumoniae n/a n/a Bacteria Paenibacillus Polymyxa n/a n/a Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a n/a Bacteria Jannaschia Helgolandensis Strain HEL-26 n/a n/a Bacteria Loktanella Hongkongensis Strain Bio-204 n/a n/a Bacteria Oceanibulbus Indolifex HEL-45 n/a n/a Bacteria Roseobacter Gallaeciensis Strain PIC-68 n/a n/a Bacteria Stappia Marina Strain DFL-11 n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a Bacteria Sulfitobacter Sp. PIC-70 n/a n/a

2,5-dimethyl-3-(3-methylbutyl)pyrazine

Mass-Spectra

Compound Details

Synonymous names	WWAYKGYKYHEINT-UHFFFAOYSA-N AC1LASMK CHEMBL96244 2-isopentyl-3,6-dimethylpyrazine 2,5-Dimethyl-3-isopentylpyrazine 3-Isopentyl-2,5-dimethylpyrazine SCHEMBL6130003 2,5-Dimethyl-3-isoamylpyrazine 3-Isoamyl-2,5-dimethylpyrazine 3-Isopentyl-2,5-dimethyl-pyrazine AKOS028111523 2,5-Dimethyl-3(3'-methylbutyl)pyrazine Pyrazine, 3-isopentyl-2,5-dimethyl- 2,5-dimethyl-3-(3-methylbutyl)pyrazine 2-(3-Methylbutyl)-3,6-dimethylpyrazine 18433-98-2 Pyrazine, 2,5-dimethyl-3-(3-methylbutyl)-
Microorganism:	Yes
IUPAC name	2,5-dimethyl-3-(3-methylbutyl)pyrazine
SMILES	CC1=CN=C(C(=N1)CCC(C)C)C
Inchi	InChI=1S/C11H18N2/c1-8(2)5-6-11-10(4)12-7-9(3)13-11/h7-8H,5-6H2,1-4H3
Formula	C11H18N2
PubChem ID	519564
Molweight	178.279
LogP	1.81
Atoms	31
Bonds	31
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds pyrazoles

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Sulfitobacter Sp. This compound is an ant trail pheromone. Schulz and Dickschat, 2007 Bacteria Loktanella Sp. Bio-204 n/a Dickschat et al., 2005_4 Bacteria Loktanella Hongkongensis Strain Bio-204 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Dubius BIO-205 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6 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 Sulfitobacter Sp. n/a n/a Bacteria Loktanella Sp. Bio-204 n/a n/a Bacteria Loktanella Hongkongensis Strain Bio-204 n/a n/a Bacteria Sulfitobacter Dubius BIO-205 n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 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

2,5-dimethyl-3-(2-methylpropyl)pyrazine

Mass-Spectra

Compound Details

Synonymous names	KEJOEQXAEQCAKT-UHFFFAOYSA-N AC1LAUGY CTK1B9012 UNII-A624F9TL1P component KEJOEQXAEQCAKT-UHFFFAOYSA-N 2,5-Dimethyl-6-isobutylpyrazine 2,5-Dimethyl-3-isobutylpyrazine 3-Isobutyl-2,5-dimethylpyrazine 3,6-Dimethyl-2-isobutylpyrazine SCHEMBL3458549 HE335360 17J126RD59 DTXSID30186407 2-Isobutyl-3,6-dimethyl-pyrazine UNII-17J126RD59 2,5-Dimethyl-3- pyrazine 2,5-dimethyl-3-(2-methylpropyl)pyrazine Pyrazine, 3-isobutyl-2,5-dimethyl- 3-(2-Methylpropyl)-2,5-dimethylpyrazine 32736-94-0 Pyrazine, 2,5-dimethyl-3-(2-methylpropyl)- FEMA No. 4100, 3,6-dimethyl-
Microorganism:	Yes
IUPAC name	2,5-dimethyl-3-(2-methylpropyl)pyrazine
SMILES	CC1=CN=C(C(=N1)CC(C)C)C
Inchi	InChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3
Formula	C10H16N2
PubChem ID	520585
Molweight	164.252
LogP	1.36
Atoms	28
Bonds	28
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Sulfitobacter Sp. n/a Schulz and Dickschat, 2007 Bacteria Paenibacillus Polymyxa n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Sulfitobacter Sp. n/a n/a Bacteria Paenibacillus Polymyxa n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a

3-butyl-2,5-dimethylpyrazine

Mass-Spectra

Compound Details

Synonymous names	UWJKKFNWVRAFPM-UHFFFAOYSA-N AC1LAV08 2-butyl-3,6-dimethylpyrazine 2,5-Dimethyl-3-butylpyrazine 3-Butyl-2,5-dimethylpyrazine ZINC2517039 SCHEMBL10392527 40790-29-2 Pyrazine, 3-butyl-2,5-dimethyl-
Microorganism:	Yes
IUPAC name	3-butyl-2,5-dimethylpyrazine
SMILES	CCCCC1=NC(=CN=C1C)C
Inchi	InChI=1S/C10H16N2/c1-4-5-6-10-9(3)11-7-8(2)12-10/h7H,4-6H2,1-3H3
Formula	C10H16N2
PubChem ID	521013
Molweight	164.252
LogP	1.52
Atoms	28
Bonds	28
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_4 Bacteria Loktanella Sp. Bio-204 n/a Dickschat et al., 2005_4 Bacteria Sulfitobacter Sp. n/a Schulz and Dickschat, 2007 Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a Dickschat et al., 2005_6 Bacteria Loktanella Hongkongensis Strain Bio-204 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Dubius BIO-205 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Dinoroseobacter Shibae Strain DFL-27 n/a n/a Bacteria Loktanella Sp. Bio-204 n/a n/a Bacteria Sulfitobacter Sp. n/a n/a Bacteria Loktanella Hongkongensis Strain Bio-204 n/a n/a Bacteria Sulfitobacter Dubius BIO-205 n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a

2,5-dimethyl-3-(2-methylbutyl)pyrazine

Compound Details

Synonymous names	ARMKFUTVMIEDJN-UHFFFAOYSA-N AC1LB9H3 CTK5D6633 AK458598 HE153632 SCHEMBL9207027 DTXSID50342124 KB-225957 AKOS006374098 2,5-Dimethyl-3-(2-methylbutyl)pyrazine 72668-36-1 Pyrazine,2,5-dimethyl-3-(2-methylbutyl)-
Microorganism:	Yes
IUPAC name	2,5-dimethyl-3-(2-methylbutyl)pyrazine
SMILES	CCC(C)CC1=NC(=CN=C1C)C
Inchi	InChI=1S/C11H18N2/c1-5-8(2)6-11-10(4)12-7-9(3)13-11/h7-8H,5-6H2,1-4H3
Formula	C11H18N2
PubChem ID	578818
Molweight	178.279
LogP	1.81
Atoms	31
Bonds	31
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Sulfitobacter Sp. n/a Schulz and Dickschat, 2007 Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Sulfitobacter Sp. n/a n/a Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a

2,5-dimethyl-3-methylsulfanylpyrazine

Compound Details

Synonymous names	VXFGCYJQMUSZGI-UHFFFAOYSA- VXFGCYJQMUSZGI-UHFFFAOYSA-N CTK1E8340 HE357018 DTXSID00470128 SCHEMBL11329005 2,5-Dimethyl-3-(methylsulfanyl)pyrazine AKOS006370174 3-(Methylthio)-2,5-dimethylpyrazine 59021-08-8 Pyrazine, 2,5-dimethyl-3-(methylthio)- InChI=1/C7H10N2S/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3
Microorganism:	Yes
IUPAC name	2,5-dimethyl-3-methylsulfanylpyrazine
SMILES	CC1=CN=C(C(=N1)SC)C
Inchi	InChI=1S/C7H10N2S/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3
Formula	C7H10N2S
PubChem ID	11658321
Molweight	154.23
LogP	1.02
Atoms	20
Bonds	20
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines Sulfides nitrogen compounds thioethers

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Sulfitobacter Pontiacus BIO-007 n/a Dickschat et al., 2005_6 Bacteria Sulfitobacter Pontiacus n/a Schulz and Dickschat, 2007 Bacteria Sulfitobacter Sp. Bio-007 n/a Schulz and Dickschat, 2007
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Sulfitobacter Pontiacus BIO-007 n/a n/a Bacteria Sulfitobacter Pontiacus n/a n/a Bacteria Sulfitobacter Sp. Bio-007 n/a n/a