ACCESSION: MSBNK-RIKEN_NPDepo-NGA02340
RECORD_TITLE: Salutaridine; 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: Isoquinoline alkaloids, Morphine alkaloids

CH$NAME: Salutaridine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₁NO₄
CH$EXACT_MASS: 327.3835
CH$SMILES: COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c42)C3=CC1=O
CH$IUPAC: InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3
CH$LINK: CAS 1936-18-1
CH$LINK: CHEMSPIDER 16736005
CH$LINK: INCHIKEY GVTRUVGBZQJVTF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:625160

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$SPLASH: splash10-004i-0009000000-fb8c9a5a86257a66d132
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  327.3 0.27 0
  327.4 1.55 1
  327.5 4.54 4
  327.6 10.04 10
  327.7 19.78 19
  327.8 35.46 35
  327.9 56.29 56
  328.0 77.87 77
  328.1 94.12 94
  328.2 100.0 99
  328.3 92.49 92
  328.4 71.66 71
  328.5 42.92 42
  328.6 16.4 16
  328.7 1.47 1
//