ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005667
RECORD_TITLE: BENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BENZONITRILE
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ufr-9700000000-8050afa6cc9ac952013b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  39 9.62 96
  50 16.48 165
  51 4.02 40
  52 13.92 139
  53 3.6 36
  56 4.33 43
  63 6.14 61
  64 2.26 23
  75 3.83 38
  76 75.73 757
  77 23.39 234
  78 1.04 10
  102 5.38 54
  103 99.99 999
  104 30.11 301
//