ACCESSION: MSBNK-RIKEN_NPDepo-NGA02518
RECORD_TITLE: Oxymatrine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids, Sophora alkaloid

CH$NAME: Oxymatrine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₅H₂₄N₂O₂
CH$EXACT_MASS: 264.3707
CH$SMILES: O=C1CCC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34
CH$IUPAC: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
CH$LINK: CAS 16837-52-8
CH$LINK: CHEMSPIDER 102808
CH$LINK: INCHIKEY XVPBINOPNYFXID-LHDUFFHYSA-N
CH$LINK: COMPTOX DTXSID40937482
CH$LINK: PUBCHEM CID:114850

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0090000000-b94e3d36103a10ce31dd
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  264.3 0.26 0
  264.4 1.63 1
  264.5 5.13 5
  264.6 11.78 11
  264.7 22.53 22
  264.8 37.91 37
  264.9 57.18 57
  265.0 77.07 76
  265.1 92.5 92
  265.2 100.0 99
  265.3 99.0 98
  265.4 88.72 88
  265.5 67.48 67
  265.6 38.46 38
  265.7 12.16 12
  265.8 0.0 0
//