ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003538
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$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0pdi-9500000000-3f26e145dcae1ef98802
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  38 3 30
  39 6.2 62
  40 1.7 17
  43 15.3 153
  50 15.6 156
  51 34.7 347
  52 3 30
  52.5 0.14 1
  62 2.4 24
  63 3.7 37
  65 2.6 26
  74 0.54 5
  75 3.1 31
  76 3.6 36
  77 81.9 819
  78 0.9 9
  91 2.4 24
  105 99.99 999
  106 7.7 77
  120 3.1 31
  121 2.9 29
//