ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004359
RECORD_TITLE: 3,5-DIPHENYLPYRAZOLE; 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$NAME: 3,5-DIPHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂N₂
CH$EXACT_MASS: 220.10005
CH$SMILES: C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
CH$LINK: CAS 1145-01-3
CH$LINK: INCHIKEY JXHKUYQCEJILEI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2061565

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$SPLASH: splash10-00di-8690000000-7232e5cd235ce0bb9330
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  26 1.4 14
  27 2.4 24
  28 5.5 55
  29 0.14 1
  39 3.8 38
  40 0.8 8
  41 4.4 44
  42 0.09 1
  43 4.7 47
  50 1.7 17
  51 5.9 59
  52 0.13 1
  55 6 60
  56 1.5 15
  57 5.5 55
  62 0.11 1
  63 4.4 44
  64 1.3 13
  65 1.4 14
  67 0.3 3
  68 1 10
  69 4.7 47
  70 1.4 14
  71 0.3 3
  75 1.3 13
  76 1.7 17
  77 11.7 117
  78 0.19 2
  79 1.7 17
  81 4.4 44
  81.5 0.6 6
  82 0.23 2
  82.5 1.8 18
  83 3.6 36
  89 6.9 69
  90 0.63 6
  91 4.2 42
  94.5 2.4 24
  95 5.1 51
  96 0.21 2
  97 3 30
  102 1.3 13
  103 1.4 14
  104 0.87 9
  105 2.3 23
  109 4 40
  109.5 1.4 14
  110 0.54 5
  111 2.4 24
  115 3.1 31
  116 2.7 27
  117 0.8 8
  118 1.9 19
  123 2.7 27
  137 1.9 19
  138 0.07 1
  139 1.9 19
  143 1.7 17
  144 1.2 12
  163 0.28 3
  164 1.9 19
  165 6.9 69
  166 1.2 12
  188 0.15 2
  189 10.8 108
  190 3.9 39
  191 24.9 249
  192 0.52 5
  193 1.5 15
  217 1.3 13
  218 1.4 14
  219 0.5 5
  220 99.99 999
  221 17.3 173
  222 1.3 13
//