ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006334
RECORD_TITLE: O-HYDROXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-HYDROXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: CC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
CH$LINK: INCHIKEY JECYUBVRTQDVAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7040285

AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-00di-9700000000-721a4c1cfd24489043f3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  43 19.5 195
  44 3.3 33
  49 1.9 19
  50 0.68 7
  51 9 90
  52 3.5 35
  53 10 100
  54 0.35 4
  55 5 50
  61 5.5 55
  62 8.2 82
  63 1.45 15
  64 7.5 75
  65 35.5 355
  66 9.5 95
  75 0.47 5
  76 4 40
  77 9.5 95
  78 4.5 45
  79 0.4 4
  80 5.5 55
  81 4 40
  89 3.8 38
  90 0.48 5
  91 3.5 35
  92 5.5 55
  93 27.2 272
  94 0.95 10
  95 4 40
  104 1 10
  105 4.5 45
  106 0.1 1
  107 4.5 45
  121 99.99 999
  122 10.5 105
  123 0.1 1
  136 44 440
  137 6.5 65
//