ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005031
RECORD_TITLE: 1,4-BIS(6-METHYL-3-PYRIDYL)BUTADIYNE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1,4-BIS(6-METHYL-3-PYRIDYL)BUTADIYNE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12N2
CH$EXACT_MASS: 232.10005
CH$SMILES: Cc(c1)ncc(C#CC#Cc(c2)cnc(C)c2)c1
CH$IUPAC: InChI=1S/C16H12N2/c1-13-7-9-15(11-17-13)5-3-4-6-16-10-8-14(2)18-12-16/h7-12H,1-2H3
CH$LINK: INCHIKEY QDQYTJSEEWAVDH-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-3790000000-7a79f14961d2fae17144
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  39 6.6 66
  40 1.1 11
  41 1.3 13
  50 0.13 1
  51 3.2 32
  52 1.1 11
  62 2.1 21
  63 0.35 4
  64 1.2 12
  74 2.3 23
  75 2.6 26
  76 0.49 5
  77 2.3 23
  86 5 50
  87 5.1 51
  88 0.49 5
  89 2.6 26
  98 12.6 126
  99 4.1 41
  100 0.1 1
  101 8.9 89
  102 1.2 12
  110 3.6 36
  111 0.58 6
  112 2.3 23
  113 1.8 18
  114 1.1 11
  115 0.11 1
  116 5 50
  122 1.6 16
  123 3.3 33
  124 0.21 2
  125 1 10
  126 4.8 48
  127 1 10
  136 0.1 1
  137 7.8 78
  138 6.9 69
  139 2.7 27
  150 0.36 4
  151 4.9 49
  152 3.5 35
  153 2 20
  162 0.16 2
  163 6.7 67
  164 9.5 95
  165 12 120
  176 0.69 7
  177 5 50
  178 4.1 41
  179 1.1 11
  189 0.21 2
  190 9.5 95
  191 2.2 22
  202 1.6 16
  203 0.55 6
  204 14.3 143
  205 4.7 47
  216 3.2 32
  217 0.36 4
  230 3.1 31
  231 6.9 69
  232 99.99 999
  233 1.89 19
  234 2.1 21
//
