ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003545
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$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-003s-9000000000-06fca1d207820656ef9a
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  26 9 90
  27 31.6 316
  28 9.5 95
  29 27.4 274
  31 99.99 999
  32 2 20
  42 4.4 44
  43 1.21 12
  45 57.5 575
  46 27.1 271
  47 1.5 15
  50 0.3 3
  76 6.4 64
  103 20 200
//