ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001491
RECORD_TITLE: ACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6r-9700000000-35041eb32d369a5e3d11
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 3.97 40
  27 2.97 30
  28 2.33 23
  37 1.34 13
  38 2.9 29
  38.5 1.25 13
  39 5.38 54
  42 1.27 13
  43 17.77 178
  49 1.1 11
  50 12.55 126
  51 31.27 313
  52 2.84 28
  52.5 2.55 26
  62 1.76 18
  63 2.97 30
  65 2.23 22
  74 4.17 42
  75 2.65 27
  76 3.26 33
  77 81.64 816
  78 9.37 94
  91 2.06 21
  105 99.99 999
  106 8.12 81
  120 42.55 426
  121 4.73 47
//