ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007881
RECORD_TITLE: 1,3,5-TRIPHENYLPYRAZOLE; 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$NAME: 1,3,5-TRIPHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₁₆N₂
CH$EXACT_MASS: 296.13135
CH$SMILES: c(c4)ccc(c4)c(n1)c([H])c(c(c3)cccc3)n(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C21H16N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-16H
CH$LINK: INCHIKEY YQDSXDPQYUXRDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60347847

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$SPLASH: splash10-0002-3290000000-b8f43552adc3985b6e27
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 2.3 23
  28 4.4 44
  39 2.8 28
  41 0.3 3
  42 1.2 12
  43 5.1 51
  50 1.3 13
  51 0.98 10
  52 1.5 15
  63 2.8 28
  64 4.4 44
  65 0.21 2
  76 1.5 15
  77 30.9 309
  78 2.9 29
  89 0.58 6
  90 3.6 36
  91 6.6 66
  105 3 30
  115 0.13 1
  116 3.3 33
  133.5 2.8 28
  134 1.6 16
  146.5 0.23 2
  147 2.8 28
  147.5 1.6 16
  148 3.8 38
  165 1.35 14
  166 2.7 27
  177 2.4 24
  178 3.2 32
  179 0.13 1
  180 5.5 55
  189 3.7 37
  190 5.2 52
  191 0.6 6
  192 16.2 162
  193 4.4 44
  266 1.3 13
  267 0.5 5
  269 1.7 17
  281 2.4 24
  293 2.7 27
  294 0.55 6
  295 60.9 609
  296 99.99 999
  297 23.2 232
  298 3 30
//