ACCESSION: MSBNK-RIKEN_NPDepo-NGA03022
RECORD_TITLE: osthol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$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$SPLASH: splash10-000i-0900000000-69b7700ba6329d0d1bd0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  130.6 1.89 1
  130.7 3.08 3
  130.8 4.41 4
  130.9 5.62 5
  131.0 6.45 6
  131.1 6.74 6
  131.2 6.43 6
  131.3 5.37 5
  131.4 3.57 3
  188.2 0.22 0
  188.3 1.3 1
  188.4 4.85 4
  188.5 12.17 12
  188.6 23.51 23
  188.7 38.65 38
  188.8 57.43 57
  188.9 77.47 77
  189.0 93.28 93
  189.1 100.0 99
  189.2 96.57 96
  189.3 83.26 83
  189.4 60.33 60
  189.5 32.26 32
  189.6 8.86 8
  189.7 0.0 0
//