ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007878
RECORD_TITLE: 4,4-DIBENZYL-3,5-DIMETHYL-4H-PYRAZOLE; 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$NAME: 4,4-DIBENZYL-3,5-DIMETHYL-4H-PYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H20N2
CH$EXACT_MASS: 276.16265
CH$SMILES: c(c3)ccc(c3)CC(Cc(c2)cccc2)(C(C)=1)C(C)=NN1
CH$IUPAC: InChI=1S/C19H20N2/c1-15-19(16(2)21-20-15,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
CH$LINK: INCHIKEY URFRTPANSKYVIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30340087
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$SPLASH: splash10-0006-9310000000-a8d1539c3842225e128a
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  27 2.3 23
  28 5.1 51
  39 7.6 76
  40 0.16 2
  41 3.4 34
  42 4.4 44
  50 1.8 18
  51 0.54 5
  52 1.9 19
  53 1.3 13
  63 3.7 37
  64 0.12 1
  65 18.7 187
  66 2.7 27
  76 1.4 14
  77 0.54 5
  78 2.2 22
  79 3.6 36
  90 1.6 16
  91 99.99 999
  92 9 90
  102 1.8 18
  103 2.6 26
  104 0.23 2
  109 4.2 42
  115 4.2 42
  116 1.1 11
  127 0.13 1
  128 2.2 22
  129 1.7 17
  141 2.5 25
  142 0.2 2
  143 1.2 12
  144 1.8 18
  157 1.6 16
  165 0.13 1
  171 2.3 23
  178 1.1 11
  182 14.9 149
  183 0.36 4
  185 11.3 113
  186 3.6 36
  199 10.5 105
  200 0.19 2
  207 2 20
  261 13 130
  262 2.8 28
  275 1.12 11
  276 4.1 41
//
