ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000731
RECORD_TITLE: ISOFLAVONE; 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$NAME: ISOFLAVONE
CH$NAME: 3-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀O₂
CH$EXACT_MASS: 222.06808
CH$SMILES: c(c3)ccc(c3)C(=C1)C(=O)c(c2)c(ccc2)O1
CH$IUPAC: InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
CH$LINK: INCHIKEY GOMNOOKGLZYEJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90205986

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$SPLASH: splash10-00di-4390000000-b4cbfa0f201f2f6fa3db
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  32 3.5 35
  39 6.8 68
  50 7.3 73
  51 0.63 6
  52 2.5 25
  62 2.9 29
  63 14.9 149
  64 1.48 15
  74 4.1 41
  75 4.4 44
  76 8.7 87
  77 0.29 3
  89 3.8 38
  92 44.4 444
  102 13 130
  111 0.62 6
  120 50.8 508
  121 3.3 33
  149 9.4 94
  165 0.94 9
  221 99.99 999
  222 90.5 905
  223 14.1 141
//