ACCESSION: MSBNK-RIKEN_NPDepo-CB000101
RECORD_TITLE: Palmatine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C21H22NO4
COMMENT: Bottle Name:Palmatine chloride
COMMENT: PRIME Parent Name:Palmatine
COMMENT: PRIME in-house No.:V0288
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
CH$NAME: Palmatin
CH$NAME: Berbericine
CH$NAME: 2,3,9,10-Tetramethoxyprotoberberin
CH$NAME: O,O-Dimethyldemethyleneberberine
CH$NAME: Palmatine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C21H22NO4+
CH$EXACT_MASS: 352.4138
CH$SMILES: COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
CH$IUPAC: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
CH$LINK: CAS
3486-67-7
CH$LINK: CHEMSPIDER
17947
CH$LINK: INCHIKEY
QUCQEUCGKKTEBI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9048065
CH$LINK: PUBCHEM
CID:19009
AC$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]+
PK$SPLASH: splash10-0udi-0009000000-4fd3376500713d58b6e8
PK$NUM_PEAK: 187
PK$PEAK: m/z int. rel.int.
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