ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002011
RECORD_TITLE: 4-ALLYL-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$NAME: 4-ALLYL-3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₂
CH$EXACT_MASS: 136.10005
CH$SMILES: CC1=C(C(=NN1)C)CC=C
CH$IUPAC: InChI=1S/C8H12N2/c1-4-5-8-6(2)9-10-7(8)3/h4H,1,5H2,2-3H3,(H,9,10)
CH$LINK: INCHIKEY QWUSIYGDHJDCEM-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$SPLASH: splash10-052u-9800000000-b19420574f0f52f21ac2
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  26 4.5 45
  27 22.1 221
  28 15.6 156
  29 0.48 5
  30 3 30
  31 1.7 17
  38 2.9 29
  39 2.8 28
  40 8.7 87
  41 28 280
  42 60.8 608
  43 0.87 9
  50 3.7 37
  51 10 100
  52 15.6 156
  53 1.96 20
  54 6.8 68
  55 8.1 81
  56 4 40
  57 0.52 5
  60 3.3 33
  63 4 40
  64 1.8 18
  65 0.1 1
  66 9 90
  67 12.2 122
  68 25.5 255
  69 0.63 6
  70 1.5 15
  71 2.1 21
  73 2.5 25
  77 0.87 9
  78 4.7 47
  79 5.5 55
  80 19.3 193
  81 0.6 6
  82 3 30
  83 3.5 35
  84 1.2 12
  85 0.14 1
  91 6.6 66
  92 4.3 43
  93 5.2 52
  94 3.74 37
  95 15.3 153
  96 3.3 33
  97 2.2 22
  104 0.28 3
  105 2.5 25
  106 4 40
  107 3.2 32
  108 0.69 7
  109 94.4 944
  110 8.4 84
  111 1.1 11
  118 0.25 3
  119 4.3 43
  120 3.4 34
  121 38.3 383
  122 0.38 4
  133 2.5 25
  134 2.1 21
  135 34.6 346
  136 99.99 999
  137 9.6 96
//