ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005043
RECORD_TITLE: 2,4-DIBENZYL-3,6-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$NAME: 2,4-DIBENZYL-3,6-DIMETHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H21N
CH$EXACT_MASS: 287.16740
CH$SMILES: c(c3)ccc(c3)Cc(c1)c(C)c(Cc(c2)cccc2)nc(C)1
CH$IUPAC: InChI=1S/C21H21N/c1-16-13-20(14-18-9-5-3-6-10-18)17(2)21(22-16)15-19-11-7-4-8-12-19/h3-13H,14-15H2,1-2H3
CH$LINK: INCHIKEY SYNAWBQDXYOWOR-UHFFFAOYSA-N
AC$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-2390000000-0a4b163e1bd4f53a1156
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  14 1.7 17
  16 2 20
  17 4 40
  18 1.15 12
  27 2.9 29
  31 1 10
  39 4.7 47
  40 0.12 1
  41 4.3 43
  42 2.8 28
  43 2.8 28
  45 0.1 1
  51 3.8 38
  52 1.7 17
  55 2 20
  57 0.14 1
  63 1.8 18
  65 9.9 99
  66 1 10
  67 0.1 1
  69 1 10
  76 1 10
  77 7.4 74
  78 0.3 3
  79 1.3 13
  89 2.8 28
  90 1.5 15
  90.5 0.11 1
  91 23.4 234
  92 2.4 24
  102 1.9 19
  103 0.19 2
  103.5 1.4 14
  104 2.6 26
  104.5 1.3 13
  105 0.11 1
  114 1 10
  115.5 1.1 11
  116 2.2 22
  117 0.14 1
  120.5 1 10
  121 1.3 13
  126 1 10
  127.5 0.29 3
  128 7.5 75
  128.5 1.8 18
  129 2.9 29
  133.5 0.12 1
  134 1.4 14
  134.5 1.9 19
  135 2.6 26
  136 0.1 1
  139 1.8 18
  140 1.3 13
  141 3.5 35
  142 0.14 1
  143 1.1 11
  143.5 3.4 34
  144 1.2 12
  144.5 0.16 2
  151 1.9 19
  152 7.5 75
  153 5.8 58
  154 0.3 3
  155 1 10
  165 5.5 55
  166 3.7 37
  167 0.49 5
  168 2.1 21
  178 2.8 28
  179 3.7 37
  180 0.86 9
  181 8.7 87
  182 1.8 18
  191 1.8 18
  192 0.27 3
  193 2.2 22
  194 13.1 131
  195 14.6 146
  196 1.07 11
  197 2 20
  198 1 10
  199 1.5 15
  200 0.21 2
  201 1.3 13
  202 3.1 31
  204 1.3 13
  206 0.3 3
  207 3.7 37
  208 16.2 162
  209 5.1 51
  210 0.21 2
  215 1 10
  228 1.3 13
  254 2.7 27
  255 0.25 3
  256 2.8 28
  257 2.2 22
  258 1 10
  267 0.21 2
  268 3.7 37
  269 3.1 31
  270 5.6 56
  271 0.43 4
  272 25.7 257
  273 6.4 64
  274 1 10
  281 0.18 2
  282 3.2 32
  283 2.6 26
  284 18.6 186
  285 0.78 8
  286 94.5 945
  287 99.99 999
  288 33 330
  289 3.4 34
//
