MassBank Record: JP001492

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(2,2,2,-2H3)ACETOPHENONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP001492
RECORD_TITLE: (2,2,2,-2H3)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$NAME: (2,2,2,-2H3)ACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.0575099999999935107553028501570224761962890625
CH$SMILES: [2H]C([2H])([2H])C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3
CH$LINK: COMPTOX DTXSID70169976
CH$LINK: INCHIKEY KWOLFJPFCHCOCG-FIBGUPNXSA-N

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$SPLASH: splash10-0a6r-9700000000-d60fa0e8b56fa3eac3dd
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  18 4.6 46
  27 2.4 24
  28 2.35 24
  37 1.18 12
  38 2.17 22
  38.5 1.15 12
  39 2.73 27
  40 1.34 13
  46 18 180
  50 11.09 111
  51 26.69 267
  52 3.16 32
  52.5 1.42 14
  53 1.32 13
  63 1.12 11
  74 3.78 38
  75 2.56 26
  76 3.03 30
  77 80.93 809
  78 6.47 65
  79 2.57 26
  105 99.99 999
  106 8.11 81
  122 1.37 14
  123 45.45 455
  124 4.37 44
//