ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004310
RECORD_TITLE: 1,4-DIALLYL-3,5-DIMETHYLPYRAZOLE; 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$NAME: 1,4-DIALLYL-3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16N2
CH$EXACT_MASS: 176.13135
CH$SMILES: C=CCc(c(C)1)c(C)n(CC=C)n1
CH$IUPAC: InChI=1S/C11H16N2/c1-5-7-11-9(3)12-13(8-6-2)10(11)4/h5-6H,1-2,7-8H2,3-4H3
CH$LINK: INCHIKEY BYQUXKFPPIMUKC-UHFFFAOYSA-N
AC$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: splash10-002f-9700000000-60b56ec9c4d2c8192c52
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  26 3.5 35
  27 10.1 101
  28 10.3 103
  29 0.41 4
  30 2.4 24
  38 2.2 22
  39 38.5 385
  40 0.97 10
  41 70.3 703
  42 37.4 374
  43 4 40
  50 0.22 2
  51 8.3 83
  52 9.6 96
  53 19.4 194
  54 0.84 8
  55 8.7 87
  56 7.5 75
  57 1.8 18
  63 0.28 3
  64 1.8 18
  65 12.5 125
  66 9 90
  67 1.06 11
  68 13.2 132
  69 3.6 36
  77 14.3 143
  78 0.53 5
  79 14.7 147
  80 10.6 106
  81 6.3 63
  82 0.38 4
  83 1.4 14
  91 15.8 158
  92 7.7 77
  93 0.95 10
  94 14.3 143
  95 7.9 79
  96 1.6 16
  97 0.16 2
  103 1.9 19
  104 1.8 18
  105 4.6 46
  106 0.74 7
  107 7.3 73
  108 8.5 85
  109 31.2 312
  110 0.32 3
  117 2.9 29
  118 4.7 47
  119 7.3 73
  120 1.36 14
  121 10.8 108
  122 3 30
  123 2.8 28
  131 0.17 2
  132 5.2 52
  133 12.5 125
  134 11 110
  135 2.64 26
  136 14.3 143
  137 1.6 16
  144 1.5 15
  145 0.26 3
  146 5.2 52
  147 7.3 73
  148 4.7 47
  149 9.12 91
  150 11 110
  159 2.5 25
  160 1.8 18
  161 3.96 40
  162 5.1 51
  173 2 20
  174 3.3 33
  175 9.67 97
  176 99.99 999
  177 13.1 131
  178 1.2 12
//
