MassBank Record: CB000145



 Lyxoflavin; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000145
RECORD_TITLE: Lyxoflavin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Animal
COMMENT: SubCategory_DNP: Pteridines and analogues, Pteridine alkaloids, Flavins

CH$NAME: Lyxoflavin CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C17H20N4O6 CH$EXACT_MASS: 376.37215 CH$SMILES: Cc1cc2nc3c(O)nc(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C CH$IUPAC: InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) CH$LINK: INCHIKEY AUNGANRZJHBGPY-UHFFFAOYSA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0019000000-520f1821773f30735891 PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 220.6000 98979.3047 24 221.2000 90617.5781 22 242.4000 188624.5781 47 242.5000 380166.0000 96 242.6000 510064.2188 130 242.7000 598348.2500 152 242.8000 624794.7500 159 242.9000 592709.0000 151 243.0000 549928.1875 140 243.1000 539038.5625 137 243.2000 502480.3125 128 243.3000 474672.7500 121 243.4000 407001.2500 103 243.5000 156344.5156 39 243.6000 171317.7969 43 243.7000 94312.2891 23 243.8000 91006.5000 22 243.9000 96451.3438 23 244.0000 94117.8281 23 376.3000 1113857.3750 285 376.4000 2273412.2500 583 376.5000 2985713.2500 766 376.6000 3147891.5000 808 376.7000 3553337.5000 912 376.8000 3574144.2500 917 376.9000 3657372.2500 939 377.0000 3656983.7500 939 377.1000 3889944.5000 999 377.2000 3153725.0000 809 377.3000 2887900.5000 741 377.4000 2166071.5000 555 377.5000 1193585.2500 305 377.6000 1169861.3750 299 377.7000 1042102.1250 266 377.8000 1035296.1250 265 377.9000 876229.2500 224 378.0000 922704.6250 236 378.1000 964513.1875 246 378.2000 833837.3125 213 378.3000 775305.3750 198 378.4000 529898.9375 135 378.5000 251045.7031 63 378.6000 241906.1719 61 378.7000 153038.6875 38 378.8000 136315.2969 34 378.9000 154399.9219 38 379.0000 163733.9219 41 379.1000 135148.5469 33 379.2000 117647.2891 29 379.3000 128342.5078 31 379.4000 86533.9609 21 752.6000 101896.1641 25 752.7000 117063.9141 29 752.8000 115313.7813 28 752.9000 107146.5391 26 753.0000 114535.9609 28 753.1000 110841.2578 27 753.2000 113563.6641 28 753.3000 120175.2422 29 //