ACCESSION: MSBNK-RIKEN_NPDepo-NGA01409
RECORD_TITLE: Peucedanin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0090000000-e0fbdef3de37c56158d3
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  258.2 0.55 0
  258.3 1.95 1
  258.4 4.69 4
  258.5 8.86 8
  258.6 15.27 15
  258.7 26.44 26
  258.8 44.61 44
  258.9 67.68 67
  259.0 88.48 88
  259.1 100.0 99
  259.2 99.92 99
  259.3 88.52 88
  259.4 66.28 66
  259.5 37.36 37
  259.6 11.66 11
  259.7 0.0 0
//