Results for:
PubChem ID: 26808

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