ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008091
RECORD_TITLE: BENZYL CYANIDE; 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$NAME: BENZYL CYANIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇N
CH$EXACT_MASS: 117.05785
CH$SMILES: N#CCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
CH$LINK: INCHIKEY SUSQOBVLVYHIEX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021492

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$SPLASH: splash10-014i-4900000000-7fb420e2a4693843bcc6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39 0.88 9
  51 3.61 36
  63 1.37 14
  64 1.17 12
  65 2.24 22
  77 5.06 51
  78 0.78 8
  89 12.29 123
  90 28.49 285
  91 5.95 60
  116 24.49 245
  117 99.99 999
  118 9.17 92
  119 0.88 9
//