ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001417
RECORD_TITLE: 4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL)-2H-CHROMEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXY-3-(3-OXO-1-PHENYLBUTYL)-2H-CHROMEN-2-ONE
CH$NAME: 3-(1'-PHENYL-1'-ACETONYLMETHYL)-2-ONE-4-HYDROXY-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₆O₄
CH$EXACT_MASS: 308.10486
CH$SMILES: CC(=O)CC(c(c3)cccc3)C(C(=O)1)=C(O)c(c2)c(ccc2)O1
CH$IUPAC: InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
CH$LINK: INCHIKEY PJVWKTKQMONHTI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023742

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-0293000000-848341bcbd6a3f0a2c6b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  18 1.2 12
  120 1.3 13
  121 3.7 37
  131 0.26 3
  134 1.1 11
  145 4.5 45
  146 1.8 18
  147 0.1 1
  162 1.4 14
  187 10.3 103
  188 1.3 13
  249 0.29 3
  250 1.5 15
  251 4.8 48
  265 99.99 999
  266 2.04 20
  267 2.8 28
  308 30.4 304
  309 6.5 65
  310 1 10
//