ACCESSION: MSBNK-RIKEN_NPDepo-CB000117
RECORD_TITLE: Salutaridine; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system
AC$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$SPLASH: splash10-004i-0019000000-39a5a96e8fed0dc5177f
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
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//