ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004316
RECORD_TITLE: 1-BENZYL-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$NAME: 1-BENZYL-3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14N2
CH$EXACT_MASS: 186.11570
CH$SMILES: Cc(n1)c([H])c(C)n(Cc(c2)cccc2)1
CH$IUPAC: InChI=1S/C12H14N2/c1-10-8-11(2)14(13-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
CH$LINK: INCHIKEY DDCXNXMLCDHLEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40345326
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$SPLASH: splash10-000l-9800000000-12df0fc2c9d7a047cb1c
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  26 2 20
  27 7.1 71
  28 8.3 83
  29 0.12 1
  38 2.4 24
  39 24.8 248
  40 5.7 57
  41 1.28 13
  42 11.1 111
  43 1.8 18
  50 3.2 32
  51 0.98 10
  52 3.8 38
  53 2 20
  54 2 20
  55 0.2 2
  62 1.4 14
  63 7.1 71
  64 2.6 26
  65 3.22 32
  66 5.1 51
  67 1.8 18
  68 3.1 31
  69 0.08 1
  70 1 10
  76 1.4 14
  77 6.8 68
  78 0.26 3
  79 1.3 13
  80 1.4 14
  81 1.1 11
  82 0.21 2
  83 1.3 13
  89 7 70
  90 2.9 29
  91 99.99 999
  92 11 110
  93 2.9 29
  94 1.4 14
  95 3.48 35
  96 3.6 36
  102 1 10
  103 2.6 26
  104 0.41 4
  105 1 10
  108 2.5 25
  109 26.8 268
  110 0.23 2
  115 2.7 27
  116 1.3 13
  117 1.7 17
  118 0.12 1
  128 1.5 15
  129 1.3 13
  130 5.4 54
  131 0.1 1
  142 1.1 11
  143 1.9 19
  144 5.6 56
  145 0.14 1
  154 1.1 11
  156 1.2 12
  158 2.2 22
  167 0.14 1
  168 2.1 21
  169 1.3 13
  170 1.5 15
  172 0.61 6
  174 2 20
  185 81.4 814
  186 64 640
  187 9.1 91
//
