MassBank Record: AU229206



 2-Amino-3,8-dimethylimidazo-[4,5-f]quinoxaline (MeIQx); LC-ESI-QTOF; MS2; CE: Ramp 18.5-27.8 eV; R=35000; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: AU229206
RECORD_TITLE: 2-Amino-3,8-dimethylimidazo-[4,5-f]quinoxaline (MeIQx); LC-ESI-QTOF; MS2; CE: Ramp 18.5-27.8 eV; R=35000; [M+H]+
DATE: 2019.04.08
AUTHORS: , Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2292

CH$NAME: 2-Amino-3,8-dimethylimidazo-[4,5-f]quinoxaline (MeIQx) CH$NAME: MeIQx CH$NAME: 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C11H11N5 CH$EXACT_MASS: 213.10144535 CH$SMILES: CN1C(N)=NC2=C1C=CC1=NC=C(C)N=C21 CH$IUPAC: InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15) CH$LINK: CAS 77500-04-0 CH$LINK: CHEBI 76604 CH$LINK: KEGG C19255 CH$LINK: PUBCHEM CID:62275 CH$LINK: INCHIKEY DVCCCQNKIYNAKB-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 56076 CH$LINK: COMPTOX DTXSID1020801
AC$INSTRUMENT: Bruker maXis Impact AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 18.5-27.8 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min AC$CHROMATOGRAPHY: RETENTION_TIME 4.024 min AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 214.108 MS$FOCUSED_ION: PRECURSOR_M/Z 214.1087 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: WHOLE RMassBank 2.10.1
PK$SPLASH: splash10-03di-0390000000-3fb15c08cf22a9d78ce3 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 131.0465 C7H5N3+ 1 131.0478 -9.68 146.0703 C8H8N3+ 1 146.0713 -6.71 156.054 C9H6N3+ 1 156.0556 -10.17 160.0857 C9H10N3+ 1 160.0869 -7.41 172.0736 C9H8N4+ 1 172.0743 -4.32 172.0852 C10H10N3+ 1 172.0869 -10.12 173.0813 C9H9N4+ 1 173.0822 -4.89 174.0831 C8[13]CH9N4+ 1 174.0861 -17.1 187.0967 C10H11N4+ 1 187.0978 -6.21 197.0811 C11H9N4+ 1 197.0822 -5.65 199.0846 C10H9N5+ 1 199.0852 -3.37 200.0873 C9[13]CH9N5+ 1 200.0892 -9.03 214.1085 C11H12N5+ 1 214.1087 -1.23 215.1112 C10[13]CH12N5+ 1 215.1126 -6.54 216.1136 C9[13]C2H12N5+ 1 216.116 -10.97 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 131.0465 6280 5 146.0703 32000 26 156.054 8760 7 160.0857 8032 6 172.0736 10724 8 172.0852 28200 23 173.0813 96000 79 174.0831 8140 6 187.0967 33056 27 197.0811 25452 21 199.0846 289668 239 200.0873 25400 20 214.1085 1208628 999 215.1112 187052 154 216.1136 8640 7 //