ACCESSION: MSBNK-RIKEN_NPDepo-CB000234
RECORD_TITLE: Peucedanin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Coumarins

CH$NAME: Peucedanin
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C₁₅H₁₄O₄
CH$EXACT_MASS: 258.2764
CH$SMILES: COc1c(C(C)C)oc2cc3oc(=O)ccc3cc12
CH$IUPAC: InChI=1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
CH$LINK: CAS 133-26-6
CH$LINK: CHEMSPIDER 8297
CH$LINK: INCHIKEY YQBNJPACAUPNLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10157897
CH$LINK: PUBCHEM CID:8616

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$SPLASH: splash10-0a4i-0090000000-19641ecc57fd7118a281
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  184.9000 214602.8906 23
  214.5000 243830.9688 26
  214.6000 284331.0313 30
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  214.8000 344052.8438 37
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  300.4000 409667.6875 44
//