Results for:
Species: Sulfitobacter dubius BIO-205

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
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

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

2,5-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)-
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

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-
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