ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000635
RECORD_TITLE: ISOFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
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$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-3930000000-ae03047d4108a78eed20
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  28 6 60
  39 2.4 24
  51 3.7 37
  63 0.53 5
  64 6.3 63
  65 1.3 13
  77 6 60
  78 0.8 8
  91 1.2 12
  92 26.5 265
  103 8.6 86
  104 3.88 39
  105 2.1 21
  120 99.99 999
  121 7.6 76
  147 0.1 1
  149 2.2 22
  223 2.4 24
  224 37.8 378
  225 4.9 49
//