ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008180
RECORD_TITLE: 4-CYANOBENZALDOXIME; 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$NAME: 4-CYANOBENZALDOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6N2O
CH$EXACT_MASS: 146.04801
CH$SMILES: ON=Cc(c1)ccc(C#N)c1
CH$IUPAC: InChI=1S/C8H6N2O/c9-5-7-1-3-8(4-2-7)6-10-11/h1-4,6,11H/b10-6+
CH$LINK: INCHIKEY XUPNOABKAQYYOD-UXBLZVDNSA-N
AC$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: splash10-0udi-8900000000-6494796a4c20afc0a9cd
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  26 2.89 29
  27 5.62 56
  30 3.14 31
  36 1.24 12
  37 7.28 73
  38 9.81 98
  39 10.62 106
  41 2.98 30
  43 2.77 28
  44 4.62 46
  46 1.19 12
  49 4.83 48
  50 28.26 283
  51 26.59 266
  52 9.6 96
  53 1.87 19
  61 4.71 47
  62 10.62 106
  63 14.98 150
  64 16.25 163
  65 3.98 40
  67 3.44 34
  73 2.88 29
  74 11.12 111
  75 31.89 319
  76 27.72 277
  77 3.75 38
  78 1.32 13
  85 1.63 16
  86 2.11 21
  87 3.56 36
  88 8.06 81
  89 5.65 57
  90 7.79 78
  91 26.1 261
  92 5.34 53
  94 10.18 102
  99 4.26 43
  100 5.05 51
  101 16.65 167
  102 54.87 549
  103 76.01 760
  104 6.54 65
  114 3.06 31
  115 2.58 26
  116 1.45 15
  117 3.92 39
  118 4.52 45
  119 35.82 358
  120 4 40
  127 1.26 13
  128 15.49 155
  129 13.91 139
  130 2.62 26
  145 13.38 134
  146 99.99 999
  147 9.21 92
//
