ACCESSION: MSBNK-RIKEN_NPDepo-CB000432
RECORD_TITLE: Oleuropein; 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: Monoterpenoids, Secoiridoid monoterpenoids

CH$NAME: Oleuropein
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₂₅H₃₂O₁₃
CH$EXACT_MASS: 540.526
CH$SMILES: C/C=C1\C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1
CH$IUPAC: InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14?,18-,20-,21+,22-,24?,25+/m1/s1
CH$LINK: CAS 2619-42-4
CH$LINK: CHEMSPIDER 4444876
CH$LINK: INCHIKEY RFWGABANNQMHMZ-JUVTZQQOSA-N
CH$LINK: PUBCHEM CID:24721401

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$SPLASH: splash10-000i-0908020000-8f3a177b2870aa18162f
PK$NUM_PEAK: 178
PK$PEAK: m/z int. rel.int.
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//