ACCESSION: MSBNK-RIKEN_NPDepo-CB000099
RECORD_TITLE: Tetrahydropalmatine; 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, Benzylisoquinoline alkaloids

CH$NAME: Tetrahydropalmatine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₁H₂₅NO₄
CH$EXACT_MASS: 355.4377
CH$SMILES: COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2
CH$IUPAC: InChI=1S/C21H25NO4/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/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1
CH$LINK: CAS 10097-84-4
CH$LINK: CHEMSPIDER 65252
CH$LINK: INCHIKEY AEQDJSLRWYMAQI-QGZVFWFLSA-N
CH$LINK: COMPTOX DTXSID80359548
CH$LINK: PUBCHEM CID:969488

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$SPLASH: splash10-0a4i-0409000000-3b8cdfef5b4cd734fc1a
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
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//