ACCESSION: MSBNK-RIKEN_NPDepo-CB000454
RECORD_TITLE: Diversolide A.; 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: Sesquiterpenoids

CH$NAME: Diversolide A.
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₂₅H₃₀O₇
CH$EXACT_MASS: 442.5136
CH$SMILES: C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C/C)[C@H]12
CH$IUPAC: InChI=1S/C25H30O7/c1-8-12(3)22(27)30-17-11-15(6)18-16(26)10-14(5)19(18)21-20(17)25(7,24(29)31-21)32-23(28)13(4)9-2/h8-10,17,19-21H,11H2,1-7H3/b12-8+,13-9+/t17-,19-,20+,21+,25+/m0/s1
CH$LINK: CAS 33439-66-6
CH$LINK: CHEMSPIDER 28285789
CH$LINK: INCHIKEY SRYAYZOSNMNVNQ-PIZJEGCLSA-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$SPLASH: splash10-0006-0261900010-fab161dc2d1c86502ed5
PK$NUM_PEAK: 192
PK$PEAK: m/z int. rel.int.
  100.6000 151910.8594 93
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  100.8000 531804.6875 330
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//