MassBank Record: MSBNK-RIKEN_NPDepo-NGA02517
ACCESSION: MSBNK-RIKEN_NPDepo-NGA02517
RECORD_TITLE: Oxymatrine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-014i-0090000000-d5faa045f7fe7eeaea8f
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
264.3 0.41 0
264.4 1.9 1
264.5 5.2 5
264.6 11.0 10
264.7 20.67 20
264.8 35.96 35
264.9 56.63 56
265.0 78.19 78
265.1 93.95 93
265.2 100.0 99
265.3 96.43 96
265.4 83.47 83
265.5 60.84 60
265.6 32.82 32
265.7 9.26 9
265.8 0.0 0
//