ACCESSION: MSBNK-RIKEN_NPDepo-CB000091
RECORD_TITLE: Cepharanthine; 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$NAME: Cepharanthine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C37H38N2O6
CH$EXACT_MASS: 606.7252
CH$SMILES: COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C
CH$IUPAC: InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
CH$LINK: CAS
481-49-2
CH$LINK: CHEMSPIDER
9791
CH$LINK: INCHIKEY
YVPXVXANRNDGTA-WDYNHAJCSA-N
CH$LINK: COMPTOX
DTXSID6045957
CH$LINK: PUBCHEM
CID:10206
AC$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$SPLASH: splash10-0udi-0009011000-ef1560fc4779bfeb5c70
PK$NUM_PEAK: 194
PK$PEAK: m/z int. rel.int.
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