ACCESSION: MSBNK-RIKEN_NPDepo-CB000235
RECORD_TITLE: osthol; 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$NAME: osthol
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C₁₅H₁₆O₃
CH$EXACT_MASS: 244.293
CH$SMILES: COc1ccc2ccc(=O)oc2c1CC=C(C)C
CH$IUPAC: InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
CH$LINK: CAS 484-12-8
CH$LINK: CHEMSPIDER 9811
CH$LINK: INCHIKEY MBRLOUHOWLUMFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20197507
CH$LINK: PUBCHEM CID:10228

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$SPLASH: splash10-000i-0950000000-a90b8f03aad52e70c08d
PK$NUM_PEAK: 138
PK$PEAK: m/z int. rel.int.
  102.6000 364803.8125 26
  102.7000 421974.5625 31
  102.8000 406029.0313 29
  102.9000 428586.1250 31
  103.0000 372776.5938 27
  103.1000 418668.7500 30
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  219.0000 408168.0313 30
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  247.4000 314050.2188 22
//