ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011797
RECORD_TITLE: ORTHO-HYDROXYACETHOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-HYDROXYACETHOPHENONE
CH$NAME: 2-ACETYLPHENOL
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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0fyc-9100000000-6aa38be570fc2e4c3c7e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 14.03 140
  16 3.06 31
  27 14.3 143
  29 11.84 118
  31 1.39 14
  37 10.97 110
  38 29.1 291
  39 97.84 978
  40 6.67 67
  41 3.06 31
  42 11.61 116
  43 68.33 683
  44 1.9 19
  49 3.67 37
  50 25.6 256
  51 29.51 295
  52 8.75 88
  53 29.59 296
  54 2.63 26
  55 5.4 54
  61 10.65 107
  62 23.83 238
  63 52.22 522
  64 22.77 228
  65 94.42 944
  66 14.5 145
  67 2.86 29
  69 1.43 14
  73 2.31 23
  74 9.91 99
  75 5.97 60
  76 3.46 35
  77 19.81 198
  78 5.3 53
  79 5.91 59
  81 2.12 21
  85 1.2 12
  86 1.81 18
  87 1.52 15
  89 6.1 61
  90 6.25 63
  91 1.91 19
  92 11.27 113
  93 27.17 272
  94 4.26 43
  107 3.19 32
  121 99.99 999
  122 8.62 86
  136 22.19 222
  137 2.65 27
//