ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004315
RECORD_TITLE: 3,4,5-TRIMETHYL-1-PHENYLPYRAZOLE; 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$NAME: 3,4,5-TRIMETHYL-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄N₂
CH$EXACT_MASS: 186.11570
CH$SMILES: Cc(n1)c(C)c(C)n1c(c2)cccc2
CH$IUPAC: InChI=1S/C12H14N2/c1-9-10(2)13-14(11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3
CH$LINK: INCHIKEY UZHVNGNURWBNRG-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$SPLASH: splash10-002u-5900000000-f3d66caa982089078dd9
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  26 2.5 25
  27 9.5 95
  28 6.5 65
  29 0.19 2
  38 2.6 26
  39 21.4 214
  40 4.9 49
  41 1.37 14
  42 21.7 217
  43 1.9 19
  50 6.3 63
  51 4.24 42
  52 8 80
  53 10.3 103
  54 3.2 32
  55 0.2 2
  63 5.8 58
  64 6.7 67
  65 8.6 86
  66 0.39 4
  67 2.4 24
  68 5.5 55
  69 2.9 29
  75 0.25 3
  76 5.3 53
  77 90.5 905
  78 12.3 123
  79 0.42 4
  80 1.7 17
  89 1.8 18
  90 2.2 22
  91 0.76 8
  92 2.4 24
  93 4.3 43
  94 3.3 33
  95 0.44 4
  102 2.5 25
  103 10.6 106
  104 8 80
  105 0.13 1
  109 5.1 51
  115 5.2 52
  116 2.7 27
  117 0.6 6
  118 17.7 177
  119 2 20
  127 1.6 16
  129 0.26 3
  130 24.6 246
  131 3.6 36
  141 2 20
  142 0.36 4
  143 8.3 83
  144 86.2 862
  145 5.8 58
  154 0.3 3
  155 2.3 23
  156 2.4 24
  157 1.2 12
  158 0.22 2
  167 1.2 12
  168 4.3 43
  169 4.9 49
  170 0.52 5
  171 30.5 305
  172 7.2 72
  173 0.8 8
  183 0.19 2
  184 3.2 32
  185 80 800
  186 99.99 999
  187 1.41 14
  188 1 10
//