ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009536
RECORD_TITLE: 4-AMINOBENZYL CYANIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 4-AMINOBENZYL CYANIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8N2
CH$EXACT_MASS: 132.06875
CH$SMILES: N#CCc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
CH$LINK: CAS 3544-25-0
CH$LINK: INCHIKEY YCWRFIYBUQBHJI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50188923
AC$INSTRUMENT: HITACHI M-80
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: splash10-001i-2900000000-930ebf0dac8f57605dab
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  18 1.11 11
  27 1.55 16
  28 6.06 61
  38 1.02 10
  39 4.06 41
  40 1.1 11
  41 2.15 22
  50 2.3 23
  51 5.96 60
  52 5.07 51
  53 2.29 23
  54 1.9 19
  62 1.08 11
  63 3.42 34
  64 2.05 21
  65 4.47 45
  66 2.91 29
  75 1.21 12
  76 3.2 32
  77 13.72 137
  78 7.68 77
  79 2.41 24
  80 1.55 16
  89 1.13 11
  91 1.75 18
  93 1.04 10
  102 1.52 15
  103 2.28 23
  104 21.36 214
  105 9.58 96
  106 13.29 133
  107 1.13 11
  116 1.34 13
  131 86.22 862
  132 99.99 999
  133 9.87 99
//
