ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004191
RECORD_TITLE: 4-CYANO-4-(2-CYANOETHYL)CYCLOHEXENE; 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$NAME: 4-CYANO-4-(2-CYANOETHYL)CYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N2
CH$EXACT_MASS: 160.10005
CH$SMILES: N#CCCC(C#N)(C1)CC=CC1
CH$IUPAC: InChI=1S/C10H12N2/c11-8-4-7-10(9-12)5-2-1-3-6-10/h1-2H,3-7H2
CH$LINK: INCHIKEY DFCDGWKPOLITPU-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
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: splash10-0ug0-9100000000-00399b54d088d6c4e39a
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  25 0.1 1
  26 2.3 23
  27 46.2 462
  28 2.04 20
  29 1.5 15
  30 0.8 8
  31 0.1 1
  32 0.04 0
  37 0.7 7
  38 1.9 19
  39 60 600
  40 0.29 3
  41 34.8 348
  42 1.8 18
  43 0.2 2
  49 0.01 0
  50 2 20
  51 15.6 156
  52 13.2 132
  53 1.8 18
  54 99.99 999
  55 13.2 132
  56 1.6 16
  57 0.08 1
  61 0.1 1
  62 0.4 4
  63 1.3 13
  64 0.13 1
  65 10.8 108
  66 2.1 21
  67 1.3 13
  68 0.02 0
  69 0.1 1
  74 0.2 2
  75 0.4 4
  76 0.06 1
  77 16.2 162
  78 2.2 22
  79 27 270
  80 0.26 3
  81 0.6 6
  82 0.1 1
  88 0.1 1
  89 0.04 0
  90 0.4 4
  91 3 30
  92 15.6 156
  93 2.46 25
  94 1.1 11
  95 0.1 1
  102 0.3 3
  103 0.04 0
  104 1.5 15
  105 0.9 9
  106 9.6 96
  107 0.16 2
  108 0.2 2
  115 0.1 1
  116 1.2 12
  117 0.06 1
  118 0.6 6
  119 0.6 6
  120 22.8 228
  121 0.07 1
  130 0.1 1
  131 0.2 2
  132 16.2 162
  133 0.26 3
  134 0.4 4
  143 0.1 1
  144 0.1 1
  145 0.03 0
  146 0.1 1
  159 0.5 5
  160 2.6 26
  161 0.6 6
//
