ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005041
RECORD_TITLE: 6,6'-BIQUINOLINE; 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$NAME: 6,6'-BIQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₂N₂
CH$EXACT_MASS: 256.10005
CH$SMILES: c(c4)nc(c3)c(c4)cc(c3)c(c1)cc(c2)c(ncc2)c1
CH$IUPAC: InChI=1S/C18H12N2/c1-3-15-11-13(5-7-17(15)19-9-1)14-6-8-18-16(12-14)4-2-10-20-18/h1-12H
CH$LINK: INCHIKEY CCKFFRXAFQLLDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10347372

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$SPLASH: splash10-0a4i-8890000000-ff724b677e72bf88b38f
PK$NUM_PEAK: 189
PK$PEAK: m/z int. rel.int.
  17 7.3 73
  18 22 220
  26 3.8 38
  29 0.85 9
  30 1.6 16
  31 1.6 16
  38 2.2 22
  39 0.81 8
  40 2.6 26
  41 14.4 144
  42 6.3 63
  43 1.33 13
  45 2.6 26
  46 1.5 15
  50 2.8 28
  51 0.41 4
  52 2.6 26
  53 3.1 31
  54 3.2 32
  55 1.22 12
  56 5.4 54
  57 7.8 78
  58 1.8 18
  59 0.15 2
  60 4.3 43
  61 1.9 19
  62 1.5 15
  63 0.35 4
  64 1.8 18
  65 2.6 26
  66 1.8 18
  67 0.65 7
  68 4.3 43
  69 6.6 66
  70 3.8 38
  71 0.41 4
  72 2.2 22
  73 4.4 44
  74 2.6 26
  75 0.43 4
  76 3.4 34
  77 4.4 44
  78 3.4 34
  79 0.37 4
  80 2.9 29
  81 4.7 47
  82 3.4 34
  83 0.54 5
  84 4.1 41
  85 3.4 34
  86 1.5 15
  87 0.29 3
  88 3.7 37
  88.5 1.8 18
  89 2.9 29
  90 0.15 2
  91 4.8 48
  92 2.5 25
  93 2.9 29
  94 0.18 2
  95 4 40
  96 2.9 29
  97 5 50
  98 0.5 5
  99 2.6 26
  100 6.3 63
  100.5 2.2 22
  101 0.71 7
  101.5 2.2 22
  102 3.8 38
  103 2.6 26
  104 0.19 2
  105 2.4 24
  106 1.5 15
  107 2.5 25
  108 0.22 2
  109 2.8 28
  110 2.5 25
  111 3.4 34
  112 0.22 2
  113 2.6 26
  113.5 2.8 28
  114 6.9 69
  114.5 0.26 3
  115 3.1 31
  116 1.8 18
  117 2.1 21
  118 0.15 2
  119 2.1 21
  120 1.5 15
  121 2.2 22
  122 0.15 2
  123 2.2 22
  124 2.4 24
  125 2.5 25
  126 0.26 3
  127 3.5 35
  127.5 3.1 31
  128 12.6 126
  128.5 0.29 3
  129 4 40
  130 1.8 18
  131 1.9 19
  132 0.12 1
  133 2.2 22
  134 1.5 15
  135 2.2 22
  136 0.19 2
  137 2.2 22
  138 1.9 19
  139 2.2 22
  140 0.19 2
  141 1.9 19
  142 1.8 18
  143 2.2 22
  144 0.15 2
  145 1.3 13
  146 1.2 12
  147 1.7 17
  148 0.15 2
  149 2.1 21
  150 2.2 22
  151 2.2 22
  152 0.2 2
  154 2.1 21
  155 2.5 25
  156 3.2 32
  157 0.25 3
  161 1.5 15
  162 1.9 19
  163 1.9 19
  164 0.22 2
  165 2.2 22
  166 2.1 21
  167 1.8 18
  168 0.16 2
  169 1.8 18
  170 1.2 12
  171 1.8 18
  172 0.12 1
  173 1.5 15
  174 1.8 18
  175 2.9 29
  176 0.24 2
  177 2.6 26
  178 2.1 21
  179 1.9 19
  180 0.15 2
  181 1.6 16
  182 1.2 12
  183 2.4 24
  184 0.35 4
  185 1.9 19
  187 1.3 13
  188 1.5 15
  189 0.19 2
  190 1.9 19
  191 1.9 19
  192 1.5 15
  193 0.13 1
  194 1.6 16
  195 1.6 16
  196 1.6 16
  197 0.16 2
  198 7.8 78
  199 12.2 122
  200 18.7 187
  201 1.22 12
  202 22.6 226
  203 2.6 26
  204 6.2 62
  220 0.46 5
  221 1.6 16
  225 1.8 18
  226 2.9 29
  227 0.63 6
  228 6.2 62
  229 3.5 35
  230 1.8 18
  231 0.15 2
  232 1.8 18
  251 1.2 12
  252 1.8 18
  253 0.5 5
  254 7.9 79
  255 33.5 335
  256 99.99 999
  257 2.09 21
  258 2.9 29
//