MassBank Record: MSBNK-RIKEN_NPDepo-CB000145
ACCESSION: MSBNK-RIKEN_NPDepo-CB000145
RECORD_TITLE: Lyxoflavin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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: 376.3721
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$LINK: INCHIKEY
AUNGANRZJHBGPY-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:1072
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
//
system version 2.2.8-SNAPSHOT