ACCESSION: MSBNK-RIKEN_NPDepo-CB000342
RECORD_TITLE: Mangiferin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant

CH$NAME: Mangiferin
CH$COMPOUND_CLASS: Polyketides
CH$FORMULA: C₁₉H₁₈O₁₁
CH$EXACT_MASS: 422.3487
CH$SMILES: O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
CH$IUPAC: InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
CH$LINK: CAS 4773-96-0
CH$LINK: CHEMSPIDER 4444966 4513535 4576511 17600644
CH$LINK: INCHIKEY AEDDIBAIWPIIBD-ZJKJAXBQSA-N
CH$LINK: COMPTOX DTXSID60197263
CH$LINK: PUBCHEM CID:5281647

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$SPLASH: splash10-00di-0124900000-9a8d96bfec15cbe4928d
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  100.0000 40925.9961 25
  118.5000 109315.4844 69
  118.6000 82121.2344 52
  118.7000 170435.2344 109
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  135.3000 34733.2383 21
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//