ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007882
RECORD_TITLE: 3,4,5-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$NAME: 3,4,5-TRIPHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H16N2
CH$EXACT_MASS: 296.13135
CH$SMILES: C1=CC=C(C=C1)C2=C(NN=C2C3=CC=CC=C3)C4=CC=CC=C4
CH$IUPAC: InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
CH$LINK: COMPTOX DTXSID50297665
CH$LINK: INCHIKEY NAFYHLQTAPLJKI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:272614
AC$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: splash10-0002-5190000000-8b1c66d655f6dd811d5a
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  27 2 20
  28 6.5 65
  29 1 10
  38 0.11 1
  39 5.2 52
  40 2.1 21
  41 1.8 18
  42 0.5 5
  43 17.8 178
  50 1 10
  51 2.1 21
  52 1.1 11
  53 1.9 19
  54 2.1 21
  55 9.2 92
  56 0.59 6
  57 6.8 68
  60 8.1 81
  61 1 10
  67 0.39 4
  68 1.8 18
  69 5.5 55
  70 2.8 28
  71 0.39 4
  73 4.6 46
  77 4.8 48
  78 1.7 17
  79 0.23 2
  81 2.8 28
  82 2 20
  83 3.2 32
  91 0.35 4
  95 2.1 21
  96 1.5 15
  97 2.6 26
  98 0.2 2
  164 1.3 13
  165 6.8 68
  166 1.8 18
  177 0.1 1
  178 1.6 16
  179 1.1 11
  189 2.7 27
  190 0.29 3
  191 3.9 39
  192 5.5 55
  193 2.5 25
  207 1.05 11
  208 2.4 24
  241 1.3 13
  242 2.8 28
  252 0.26 3
  253 2 20
  265 5 50
  266 3.2 32
  267 1.12 11
  268 18.8 188
  269 5.2 52
  280 1.1 11
  281 1.05 11
  282 3.2 32
  293 3.1 31
  294 6 60
  295 6.22 62
  296 99.99 999
  297 23.2 232
  298 2.9 29
//
