ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000197
RECORD_TITLE: ORTHO METHYL ACETOPHENONE; 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$NAME: ORTHO METHYL ACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O
CH$EXACT_MASS: 134.07316
CH$SMILES: CC(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
CH$LINK: INCHIKEY YXWWHNCQZBVZPV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60862222

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014o-9600000000-8e7473021b55eeb933c5
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 1.87 19
  38 1.35 14
  39 11.58 116
  41 3.02 30
  43 15.32 153
  45.5 1.87 19
  50 3.15 32
  51 6.44 64
  52 1.22 12
  62 2.7 27
  63 7.66 77
  64 1.8 18
  65 23.1 231
  66 2.25 23
  77 3.41 34
  89 6.18 62
  90 2.57 26
  91 99.99 999
  92 7.92 79
  103 1 10
  105 1 10
  115 1.42 14
  119 92.21 922
  120 8.3 83
  134 29.47 295
  135 3.02 30
//