Results for:
chemical Classification: quinoxalines

2-methylquinoxaline

Mass-Spectra

Compound Details

Synonymous names	2-METHYLQUINOXALINE 7251-61-8 Quinoxaline, 2-methyl- 2-methyl-quinoxaline MFCD00006727 03VU31MV6J NSC-65587 2-Methyl quinoxaline CCRIS 2948 EINECS 230-664-9 NSC 65587 BRN 0113307 UNII-03VU31MV6J AI3-50958 methyl-quinoxaline 2-methyl chinoxaline 2-Methylquinoxaline, 97% NCIOpen2_000305 2-methyl-1,4-naphthyridine SCHEMBL28571 5-23-07-00219 (Beilstein Handbook Reference) 2-Methylquinoxaline, >=97% CHEMBL3287983 DTXSID50222831 CHEBI:132812 AMY36538 NSC65587 STL451646 AKOS015842561 CS-W016388 MCULE-2015871894 AS-57153 SY031444 DB-013500 A9429 M0580 NS00022728 EN300-120446 W-104484 Q27225675 Z1255423472 InChI=1/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H
Microorganism:	Yes
IUPAC name	2-methylquinoxaline
SMILES	CC1=NC2=CC=CC=C2N=C1
Inchi	InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3
Formula	C9H8N2
PubChem ID	23686
Molweight	144.17
LogP	1.6
Atoms	11
Bonds	0
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	aromatic compounds nitrogen compounds benzenoids heterocyclic compounds quinoxalines
CHEBI-ID	132812
Supernatural-ID	SN0008655

mVOC Specific Details

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Bacillus Cereus n/a NA Blom et al. 2011 Prokaryota Burkholderia Andropogonis n/a NA Blom et al. 2011 Prokaryota Burkholderia Anthina n/a NA Blom et al. 2011 Prokaryota Burkholderia Caledonica n/a NA Blom et al. 2011 Prokaryota Burkholderia Caribensis n/a NA Blom et al. 2011 Prokaryota Burkholderia Caryophylli n/a NA Blom et al. 2011 Prokaryota Burkholderia Fungorum n/a NA Blom et al. 2011 Prokaryota Burkholderia Gladioli n/a NA Blom et al. 2011 Prokaryota Burkholderia Glathei n/a NA Blom et al. 2011 Prokaryota Burkholderia Glumae n/a NA Blom et al. 2011 Prokaryota Burkholderia Graminis n/a NA Blom et al. 2011 Prokaryota Burkholderia Hospita n/a NA Blom et al. 2011 Prokaryota Burkholderia Lata n/a NA Blom et al. 2011 Prokaryota Burkholderia Phenoliruptrix n/a NA Blom et al. 2011 Prokaryota Burkholderia Phytofirmans n/a NA Blom et al. 2011 Prokaryota Burkholderia Pyrrocinia n/a NA Blom et al. 2011 Prokaryota Burkholderia Sacchari n/a NA Blom et al. 2011 Prokaryota Burkholderia Terricola n/a NA Blom et al. 2011 Prokaryota Burkholderia Thailandensis n/a NA Blom et al. 2011 Prokaryota Burkholderia Xenovorans n/a NA Blom et al. 2011 Prokaryota Cellulomonas Uda n/a NA Blom et al. 2011 Prokaryota Cupriavidus Necator n/a NA Blom et al. 2011 Prokaryota Escherichia Coli n/a NA Blom et al. 2011 Prokaryota Pseudomonas Chlororaphis n/a NA Blom et al. 2011 Prokaryota Pseudomonas Fluorescens n/a NA Blom et al. 2011 Prokaryota Serratia Entomophila n/a NA Blom et al. 2011 Prokaryota Serratia Marcescens n/a NA Blom et al. 2011 Prokaryota Serratia Plymuthica n/a NA Blom et al. 2011 Prokaryota Serratia Proteamaculans n/a NA Blom et al. 2011

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Bacillus Cereus Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Andropogonis MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Anthina LB, MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Caledonica LB, MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Caribensis LB, MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Caryophylli MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Fungorum MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Gladioli LB, MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Glathei LB, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Glumae Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Graminis Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Hospita MR-VP and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Lata MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Lata LB, MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Phenoliruptrix MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Phytofirmans MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Pyrrocinia MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Sacchari Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Terricola Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Thailandensis Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Burkholderia Xenovorans Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Cellulomonas Uda LB, MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Cupriavidus Necator Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Escherichia Coli MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Pseudomonas Chlororaphis LB, MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Pseudomonas Fluorescens MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Serratia Entomophila LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Serratia Marcescens LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Serratia Plymuthica MR-VP, MS and Angle Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Serratia Plymuthica LB Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Prokaryota Serratia Proteamaculans MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no

[2,3-diacetyloxy-3-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)propyl] Acetate

Compound Details

Synonymous names	NSC713358 HDNQAKKTCNJTOK-UHFFFAOYSA-N NSC-713358 1,2,3-Propanetriol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, triacetate (ester), [S-(R*,S*)]- 2-(Acetyloxy)-1-[(acetyloxy)methyl]-2-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)ethyl acetate #
Microorganism:	No
IUPAC name	[2,3-diacetyloxy-3-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)propyl] acetate
SMILES	CC(=O)OCC(C(C1=NN(C2=NC3=CC=CC=C3N=C12)C4=CC=CC=C4)OC(=O)C)OC(=O)C
Inchi	InChI=1S/C24H22N4O6/c1-14(29)32-13-20(33-15(2)30)23(34-16(3)31)21-22-24(26-19-12-8-7-11-18(19)25-22)28(27-21)17-9-5-4-6-10-17/h4-12,20,23H,13H2,1-3H3
Formula	C24H22N4O6
PubChem ID	400838
Molweight	462.5
LogP	2.5
Atoms	34
Bonds	10
H-bond Acceptor	9
H-bond Donor	0
Chemical Classification	aromatic compounds benzenoids esters nitrogen compounds pyrazoles quinoxalines

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Aspergillus Niger Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Aspergillus Niger inoculated potato samples GC-MS no

Dimethyl 5,8-diethoxyquinoxaline-2,3-dicarboxylate

Compound Details

Synonymous names	Methyl 5,8-diethoxyquinoxaline-2,3-dicarboxylate ZYCICUGVWGJESD-UHFFFAOYSA-N Dimethyl 5,8-diethoxy-2,3-quinoxalinedicarboxylate #
Microorganism:	Yes
IUPAC name	dimethyl 5,8-diethoxyquinoxaline-2,3-dicarboxylate
SMILES	CCOC1=C2C(=C(C=C1)OCC)N=C(C(=N2)C(=O)OC)C(=O)OC
Inchi	InChI=1S/C16H18N2O6/c1-5-23-9-7-8-10(24-6-2)12-11(9)17-13(15(19)21-3)14(18-12)16(20)22-4/h7-8H,5-6H2,1-4H3
Formula	C16H18N2O6
PubChem ID	630575
Molweight	334.32
LogP	2.3
Atoms	24
Bonds	8
H-bond Acceptor	8
H-bond Donor	0
Chemical Classification	esters ethers heterocyclic compounds nitrogen compounds quinoxalines

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Pectobacterium Carotovorum Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Pectobacterium Carotovorum inoculated potato samples GC-MS no