ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008567
RECORD_TITLE: ORTHO-HYDROXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-HYDROXYACETOPHENONE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00dr-7900000000-46e56b157939e4c29b8b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 2.59 26
  27 2.03 20
  29 1.37 14
  37 1.61 16
  38 4.58 46
  39 19.01 190
  40 1.16 12
  42 1.44 14
  43 17.07 171
  50 4.02 40
  51 4.92 49
  52 1.23 12
  53 5.44 54
  61 1.39 14
  62 3.46 35
  63 8.23 82
  64 4.2 42
  65 25.19 252
  66 2.98 30
  74 1.29 13
  77 3.65 37
  89 1.17 12
  90 1.3 13
  92 2.39 24
  93 19.04 190
  94 2.19 22
  121 99.99 999
  122 7.52 75
  136 48.98 490
  137 4.45 45
//