ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000709
RECORD_TITLE: 2-HYDROXYISOFLAVANONE; 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$NAME: 2-HYDROXYISOFLAVANONE
CH$NAME: 2-HYDROXY-3-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂O₃
CH$EXACT_MASS: 240.07864
CH$SMILES: c(c3)ccc(c3)C(C(O)1)C(=O)c(c2)c(ccc2)O1
CH$IUPAC: InChI=1S/C15H12O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,13,15,17H
CH$LINK: INCHIKEY CPBYTAYFHIHDNI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30532465

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$SPLASH: splash10-00di-6490000000-f6e96a038baf1e78b69a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 2.3 23
  28 24.1 241
  32 3.4 34
  38 0.27 3
  39 9.2 92
  41 2.4 24
  50 7.7 77
  51 0.71 7
  52 3.4 34
  62 3.5 35
  63 14 140
  64 1.81 18
  65 5.4 54
  74 4.9 49
  75 4.9 49
  76 0.93 9
  77 4.7 47
  82.5 2.3 23
  87 2 20
  89 0.43 4
  91 2.8 28
  92 48.8 488
  93 4.6 46
  102 1.38 14
  111 6.4 64
  120 53 530
  121 25.9 259
  122 0.21 2
  139 2.2 22
  149 7.7 77
  164 2.3 23
  165 0.94 9
  194 2.2 22
  221 99.99 999
  222 91.6 916
  223 12.7 127
//