Results for:
Species: Roseobacter gallaeciensis strain PIC-68

Signature

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
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
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-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)-
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