ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001661
RECORD_TITLE: 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$NAME: ACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY KWOLFJPFCHCOCG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021828

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$SPLASH: splash10-0a6r-8900000000-72a8572391def7a73d00
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 0.86 9
  28 1.02 10
  38 1.18 12
  39 2.36 24
  43 10.38 104
  50 6.45 65
  51 18.32 183
  52 1.73 17
  52.5 1.57 16
  63 1.49 15
  65 1.1 11
  74 2.52 25
  75 1.57 16
  76 2.04 20
  77 69.89 699
  91 1.18 12
  105 99.99 999
  106 7.55 76
  120 20.36 204
  121 2.04 20
//