ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010475
RECORD_TITLE: BENZONITRILE; 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$NAME: BENZONITRILE
CH$NAME: CYANOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅N
CH$EXACT_MASS: 103.04220
CH$SMILES: N#Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
CH$LINK: INCHIKEY JFDZBHWFFUWGJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021491

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0udi-9300000000-1a24ace18d57f2a6713b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  25 1.93 19
  26 13.16 132
  27 9.02 90
  28 2.79 28
  36 2.14 21
  37 15.32 153
  38 14.38 144
  39 17.13 171
  40 2.01 20
  42 1.32 13
  43 13.32 133
  48 1.53 15
  49 8.85 89
  50 41.97 420
  51 27.23 272
  52 12.61 126
  53 1.43 14
  58 2.01 20
  60 1.17 12
  61 4.31 43
  62 4.78 48
  63 8.97 90
  64 4.59 46
  73 3.52 35
  74 10.41 104
  75 18.8 188
  76 44.07 441
  77 8.39 84
  88 1.44 14
  99 1.26 13
  102 1.77 18
  103 99.99 999
  104 8.73 87
//