ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001516
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9700000000-5b4046338c3b05b9ed39
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 1.27 13
  28 2.79 28
  37 2.76 28
  38 4.47 45
  39 11.2 112
  40 1.66 17
  41 1.1 11
  49 1.27 13
  50 9.01 90
  51 13.7 137
  52 2.51 25
  58.5 2.96 30
  61 2.51 25
  62 4.98 50
  63 11.06 111
  64 4.28 43
  65 4.87 49
  74 2.48 25
  75 2.12 21
  76 1.78 18
  77 6.64 66
  78 1.21 12
  87 1.49 15
  88 2.42 24
  89 20.09 201
  90 38.95 390
  91 7.69 77
  115 1.16 12
  116 34.22 342
  117 99.99 999
  118 9.2 92
//