ACCESSION: MSBNK-RIKEN_NPDepo-CB000370
RECORD_TITLE: Yuccagenin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Sapogenins

CH$NAME: Yuccagenin
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₂₇H₄₂O₄
CH$EXACT_MASS: 430.6334
CH$SMILES: CC1CC[C@@]2(OC1)OC1CC3C4CC=C5CC(O)[C@H](O)C[C@]5(C)C4CC[C@]3(C)C1[C@@H]2C
CH$IUPAC: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15?,16-,18?,19?,20?,21?,22+,23?,24?,25-,26-,27+/m0/s1
CH$LINK: CAS 511-97-7
CH$LINK: CHEMSPIDER 2340787
CH$LINK: INCHIKEY ORXKASWXOVPKDV-RTDXVKPISA-N

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$SPLASH: splash10-000x-0620900000-1026e53bcfaecddbf2df
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
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//