ACCESSION: MSBNK-RIKEN_NPDepo-CB000402
RECORD_TITLE: Versicoside; 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: The sterols, Cholestanes

CH$NAME: Versicoside
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₃₂H₄₂O₁₅
CH$EXACT_MASS: 666.6825
CH$SMILES: COc1cc(C2OC[C@@H]3C(c4ccc(O[C@@H]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@H]23)ccc1O
CH$IUPAC: InChI=1S/C32H42O15/c1-13-23(34)25(36)27(38)31(45-13)44-12-22-24(35)26(37)28(39)32(47-22)46-19-7-5-15(9-21(19)41-3)30-17-11-42-29(16(17)10-43-30)14-4-6-18(33)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16-,17-,22+,23-,24+,25+,26-,27+,28+,29?,30?,31+,32+/m0/s1
CH$LINK: CAS 101391-02-0
CH$LINK: INCHIKEY GEGNXQRNXQAJGC-MSYLITELSA-N
CH$LINK: PUBCHEM CID:16395235

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$SPLASH: splash10-014i-0002009000-78bb20746d6c5db29c22
PK$NUM_PEAK: 140
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//