ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002292
RECORD_TITLE: 4-AMINOBENZONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-AMINOBENZONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6N2
CH$EXACT_MASS: 118.05310
CH$SMILES: N#Cc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2
CH$LINK: INCHIKEY YBAZINRZQSAIAY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061240
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-014i-7900000000-4e7f55155d22373c852e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  45 1.13 11
  50 2.58 26
  51 2.05 21
  52 3.91 39
  54 1.19 12
  59 4.42 44
  61 1.24 12
  62 2.8 28
  63 8.62 86
  64 12.09 121
  65 4.66 47
  66 1.54 15
  75 1.85 19
  76 1.43 14
  77 1.01 10
  78 1.62 16
  89 1.07 11
  90 9.5 95
  91 27.69 277
  92 2.42 24
  117 5.8 58
  118 99.99 999
  119 9 90
//
