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
//