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MassBank Record: NGA02517

Oxymatrine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: BY-CC
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
//

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