ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007879
RECORD_TITLE: 1,4-DIBENZYL-3,5-DIMETHYLPYRAZOLE; 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$NAME: 1,4-DIBENZYL-3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20N2
CH$EXACT_MASS: 276.16265
CH$SMILES: c(c3)ccc(c3)Cc(c(C)1)c(C)n(Cc(c2)cccc2)n1
CH$IUPAC: InChI=1S/C19H20N2/c1-15-19(13-17-9-5-3-6-10-17)16(2)21(20-15)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
CH$LINK: INCHIKEY ASZULXHUEVXEKB-UHFFFAOYSA-N
AC$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: splash10-002f-9850000000-7e1e5766a29f5ba218a1
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 3.4 34
  28 4.1 41
  39 0.81 8
  40 2.3 23
  41 4.5 45
  42 6.6 66
  43 0.1 1
  50 1.5 15
  51 5.4 54
  52 2.1 21
  53 0.19 2
  56 2.5 25
  63 3.4 34
  64 1.2 12
  65 1.99 20
  66 2.9 29
  76 1.4 14
  77 6.9 69
  78 0.22 2
  89 4.4 44
  90 2.6 26
  91 99.99 999
  92 1.03 10
  99 2.5 25
  102 2.4 24
  103 3.8 38
  104 0.21 2
  105 1.3 13
  108 1.2 12
  109 8.9 89
  115 0.64 6
  116 2.2 22
  117 2.3 23
  118 1.2 12
  123 0.61 6
  127 2 20
  128 10.6 106
  129 3.1 31
  130 0.2 2
  136 2.3 23
  137 1.2 12
  138 2.7 27
  142 0.3 3
  143 2.4 24
  144 4.1 41
  145 1.3 13
  151 0.12 1
  152 1.3 13
  155 1 10
  156 1.4 14
  157 0.11 1
  158 1.5 15
  165 1.2 12
  167 1.2 12
  168 0.11 1
  169 2 20
  170 1.3 13
  171 5.7 57
  172 0.19 2
  178 1.2 12
  179 1.2 12
  180 1.2 12
  182 0.16 2
  183 3.4 34
  184 4.5 45
  185 33 330
  186 0.96 10
  187 1.2 12
  197 1.7 17
  199 27.6 276
  200 0.7 7
  201 1.7 17
  261 32.7 327
  262 7.1 71
  275 3.14 31
  276 50 500
  277 10.9 109
//
