ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008059
RECORD_TITLE: BENZONITRILE; 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$NAME: BENZONITRILE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0udi-3900000000-b00c11fc42a8a2563124
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  39 2.56 26
  50 3.84 38
  51 1.99 20
  52 2.99 30
  63 1.71 17
  64 1 10
  75 1.42 14
  76 25.89 259
  77 4.69 47
  102 1.56 16
  103 99.99 999
  104 7.68 77
//