ACCESSION: MSBNK-RIKEN_NPDepo-CB000429
RECORD_TITLE: Harpagoside; 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, Iridoid monoterpenoids

CH$NAME: Harpagoside
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₂₄H₃₀O₁₁
CH$EXACT_MASS: 494.5001
CH$SMILES: CC1(OC(=O)/C=C/c2ccccc2)C[C@@H](O)[C@]2(O)C=COC(O[C@@H]3OC(CO)[C@H](O)C(O)C3O)[C@H]12
CH$IUPAC: InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14?,15-,17+,18?,19?,20-,21+,22?,23?,24-/m1/s1
CH$LINK: CAS 19210-12-9
CH$LINK: CHEMSPIDER 4444874 10142410 11517886
CH$LINK: INCHIKEY KVRQGMOSZKPBNS-KSMDAOPESA-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$SPLASH: splash10-014i-1905110002-44d8ac0df6a07f2f6f2a
PK$NUM_PEAK: 212
PK$PEAK: m/z int. rel.int.
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//