ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009575
RECORD_TITLE: 4-HYDROXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: CC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
CH$LINK: INCHIKEY TXFPEBPIARQUIG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0029133

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-00du-9700000000-34294e3a6071ba63678d
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 2.46 25
  28 7.79 78
  29 3.09 31
  31 3.51 35
  32 1.65 17
  37 1.47 15
  38 4.71 47
  39 22.83 228
  40 1.3 13
  42 1.32 13
  43 12.94 129
  44 1.02 10
  46 1.37 14
  50 3.74 37
  51 4.34 43
  52 1.35 14
  53 4.53 45
  54 1.32 13
  55 1.19 12
  60 1.73 17
  61 1.87 19
  62 3.32 33
  63 7.42 74
  64 4.28 43
  65 31.31 313
  66 3.18 32
  74 1.63 16
  75 1.19 12
  77 3.79 38
  79 1.48 15
  92 2.9 29
  93 42.3 423
  94 4 40
  107 1.91 19
  120 1.02 10
  121 99.99 999
  122 8.97 90
  136 38.59 386
  137 3.91 39
//