ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009669
RECORD_TITLE: 2,6-DIMETHYLTEREPHTALONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: 2,6-DIMETHYLTEREPHTALONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8N2
CH$EXACT_MASS: 156.06875
CH$SMILES: N#Cc(c1)cc(C)c(C#N)c(C)1
CH$IUPAC: InChI=1S/C10H8N2/c1-7-3-9(5-11)4-8(2)10(7)6-12/h3-4H,1-2H3
CH$LINK: INCHIKEY VODNMFZZKATZHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40539581
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a4i-5900000000-40e03b77189963424f63
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  26 2.8 28
  27 9.7 97
  29 1 10
  37 0.32 3
  38 6.1 61
  39 16.7 167
  40 2.4 24
  41 0.2 2
  44 3 30
  50 10.1 101
  51 15.8 158
  52 0.9 9
  53 2 20
  61 2.7 27
  62 5.9 59
  63 1.24 12
  64 9.8 98
  65 4 40
  74 3.9 39
  75 1.14 11
  76 12.3 123
  77 10.9 109
  78 4.6 46
  86 0.13 1
  87 3.6 36
  88 5 50
  89 3 30
  90 0.17 2
  91 1.7 17
  99 2.1 21
  100 3.8 38
  101 1.08 11
  102 12.6 126
  103 6 60
  104 1.1 11
  114 0.96 10
  115 1.6 16
  116 2.8 28
  121 1.2 12
  126 0.1 1
  127 5 50
  128 13.2 132
  129 10.3 103
  130 0.31 3
  141 42.9 429
  142 4.1 41
  154 1.2 12
  155 4.56 46
  156 99.99 999
  157 11.9 119
//
