ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001259
RECORD_TITLE: ISOFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: ISOFLAVANONE
CH$NAME: 3-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂O₂
CH$EXACT_MASS: 224.08373
CH$SMILES: c(c3)ccc(c3)C(C1)C(=O)c(c2)c(ccc2)O1
CH$IUPAC: InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2
CH$LINK: INCHIKEY RTRZOHKLISMNRD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90963817

AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-0910000000-efdd68e8dafbf84c1681
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  89 2.3 23
  90 1 10
  91 3 30
  92 4.8 48
  93 4 40
  94 0.7 7
  101 0.3 3
  102 0.3 3
  103 14.3 143
  104 39 390
  105 3.7 37
  112 0.03 0
  113 0.3 3
  115 1 10
  118 0.3 3
  119 0.03 0
  120 99.99 999
  121 10 100
  122 0.7 7
  139 0.08 1
  146 0.7 7
  147 2.3 23
  151 0.8 8
  163 0.03 0
  164 0.3 3
  165 2 20
  166 0.3 3
  167 0.03 0
  207 0.7 7
  208 0.3 3
  222 0.3 3
  223 0.27 3
  224 31 310
  225 5 50
  226 0.7 7
//