ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005694
RECORD_TITLE: DIPHENYLACETONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIPHENYLACETONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₁N
CH$EXACT_MASS: 193.08915
CH$SMILES: N#CC(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
CH$LINK: CAS 86-29-3
CH$LINK: INCHIKEY NEBPTMCRLHKPOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020539

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0006-2900000000-a9e447bf71fcf2d1d04c
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  18 0.72 7
  27 0.83 8
  28 0.73 7
  38 0.6 6
  39 3.05 31
  50 2.8 28
  51 8.67 87
  52 1.02 10
  61 0.38 4
  62 1.45 15
  63 3.86 39
  64 1.17 12
  65 1.08 11
  69 0.41 4
  74 1.41 14
  75 1.37 14
  76 1.39 14
  77 6.19 62
  78 0.95 10
  82 1.44 14
  83 1.72 17
  84 0.27 3
  86 0.58 6
  87 1.14 11
  88 1.78 18
  89 7.6 76
  90 4.12 41
  91 0.69 7
  113 0.81 8
  114 1.55 16
  115 6.15 62
  116 8.37 84
  117 0.87 9
  126 0.72 7
  127 0.57 6
  128 0.54 5
  137 0.42 4
  138 0.41 4
  139 2.28 23
  140 1.47 15
  141 0.49 5
  150 0.48 5
  151 0.86 9
  152 2.4 24
  153 1.5 15
  154 0.34 3
  162 0.3 3
  163 2.44 24
  164 3.24 32
  165 36.73 367
  166 17.1 171
  167 3.68 37
  168 0.36 4
  176 0.34 3
  177 1.84 18
  178 4.4 44
  179 0.64 6
  188 0.41 4
  189 0.41 4
  190 5.46 55
  191 3.8 38
  192 16.47 165
  193 99.99 999
  194 15.88 159
  195 1.22 12
//