ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005042
RECORD_TITLE: 3,4-DIBENZYL-2,5-DIMETHYLPYRIDINE; 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$NAME: 3,4-DIBENZYL-2,5-DIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H21N
CH$EXACT_MASS: 287.16740
CH$SMILES: c(c3)ccc(c3)Cc(c(C)1)c(Cc(c2)cccc2)c(C)nc1
CH$IUPAC: InChI=1S/C21H21N/c1-16-15-22-17(2)21(14-19-11-7-4-8-12-19)20(16)13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3
CH$LINK: INCHIKEY QLKFDTSUPVWUME-UHFFFAOYSA-N
AC$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: splash10-000i-5690000000-6ce4491525e890ec07fd
PK$NUM_PEAK: 204
PK$PEAK: m/z int. rel.int.
  26 6.6 66
  27 17.9 179
  29 19.3 193
  30 0.68 7
  31 10.2 102
  36 3.3 33
  37 1.4 14
  38 0.26 3
  39 5.6 56
  40 4.6 46
  41 7.1 71
  42 0.41 4
  43 8.7 87
  45 9.4 94
  46 2.5 25
  48 0.16 2
  50 3.1 31
  51 7.9 79
  52 3.8 38
  53 0.5 5
  54 4.2 42
  55 15 150
  56 6.9 69
  57 0.84 8
  58 1.9 19
  59 1.8 18
  60 5.9 59
  61 0.13 1
  63 3.9 39
  64 2.5 25
  65 6.1 61
  66 0.24 2
  67 6.5 65
  68 3.8 38
  69 7.2 72
  70 0.48 5
  71 4.4 44
  73 4.1 41
  74 2.3 23
  75 0.23 2
  76 3.1 31
  77 12.5 125
  78 5.7 57
  79 0.56 6
  80 2.3 23
  81 5 50
  82 4 40
  83 0.52 5
  84 3.5 35
  85 2.9 29
  87 2.1 21
  88 0.2 2
  89 4.2 42
  91 7.2 72
  92 3.2 32
  93 0.25 3
  94 2.2 22
  94.5 2.1 21
  95 4.2 42
  96 0.3 3
  97 4 40
  98 4.2 42
  99 2.3 23
  99.5 0.16 2
  100 3.3 33
  100.5 1.6 16
  101 7.4 74
  102 0.39 4
  103 2.8 28
  104 1.9 19
  105 2.8 28
  106 0.27 3
  106.5 1.9 19
  107 5.7 57
  107.5 3.1 31
  108 0.34 3
  109 2.4 24
  110 1.7 17
  111 2.4 24
  112 0.21 2
  113 5.7 57
  113.5 1.7 17
  114 5.9 59
  114.5 0.21 2
  115 3.9 39
  116 2.5 25
  117 2.1 21
  119 0.29 3
  119.5 3.3 33
  120 3.4 34
  120.5 2.4 24
  121 0.32 3
  121.5 1.3 13
  122 2.3 23
  122.5 1.7 17
  123 0.16 2
  125 1.7 17
  126 4 40
  127 6.4 64
  127.5 0.25 3
  128 5.8 58
  129 3.3 33
  130 2.4 24
  131 0.18 2
  133 1.4 14
  134 2.9 29
  134.5 3.5 35
  135 0.25 3
  138 1.3 13
  139 4.7 47
  140 2.5 25
  140.5 0.17 2
  141 4 40
  141.5 1.9 19
  142 1.9 19
  143 0.16 2
  149 1.4 14
  150 2.7 27
  151 6 60
  152 1.6 16
  153 5.2 52
  154 2 20
  163 3 30
  164 0.37 4
  165 24.1 241
  166 7.9 79
  167 5.8 58
  168 0.21 2
  175 1.3 13
  176 5 50
  177 4.4 44
  178 1.93 19
  179 19.8 198
  180 5.3 53
  181 2.7 27
  182 0.14 1
  187 1.4 14
  188 1.4 14
  189 4.7 47
  190 0.33 3
  191 4.9 49
  192 13.7 137
  193 5.7 57
  194 6.82 68
  195 11.9 119
  196 2.2 22
  198 9.9 99
  199 1.68 17
  200 22.6 226
  201 14.5 145
  202 34.9 349
  203 0.39 4
  204 9.6 96
  205 2.2 22
  206 15.4 154
  207 4.8 48
  208 19.3 193
  209 3 30
  213 2 20
  214 0.16 2
  215 7.9 79
  216 2 20
  217 1.5 15
  218 0.13 1
  219 1.6 16
  224 1.3 13
  225 1.6 16
  226 0.77 8
  227 5.9 59
  228 14.2 142
  229 8.5 85
  230 0.29 3
  238 1.2 12
  239 6.4 64
  240 3.7 37
  241 0.54 5
  242 3.6 36
  243 4.4 44
  244 3.5 35
  251 0.13 1
  252 1.5 15
  253 3.2 32
  254 6 60
  255 0.43 4
  256 3.1 31
  257 2.4 24
  258 1.3 13
  265 0.12 1
  266 2.4 24
  267 3.8 38
  268 8.6 86
  269 0.66 7
  270 35.6 356
  271 9.1 91
  272 2.4 24
  280 0.14 1
  281 1.4 14
  282 3.7 37
  283 2.9 29
  284 1.82 18
  285 99.99 999
  286 30.9 309
  287 7.3 73
  288 1.4 14
//
