ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002029
RECORD_TITLE: 3,5-DIMETHYL-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$NAME: 3,5-DIMETHYL-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2
CH$EXACT_MASS: 172.10005
CH$SMILES: Cc(c2)nn(c(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3
CH$LINK: INCHIKEY ULPMPUPEFBDQQA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9061546
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$SPLASH: splash10-00di-6900000000-7f3ef51da05f0d6201bb
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  26 2.1 21
  27 10.2 102
  28 5.8 58
  38 0.39 4
  39 25 250
  40 7.1 71
  41 9.4 94
  43 0.18 2
  50 6 60
  51 36.5 365
  52 6 60
  53 0.28 3
  54 4.8 48
  55 2.1 21
  62 1.4 14
  63 0.73 7
  64 8.5 85
  65 10.8 108
  65.5 1 10
  66 0.45 5
  67 2.6 26
  68 1.5 15
  69 1.2 12
  73 0.1 1
  74 1 10
  75 1.9 19
  76 4.4 44
  77 6.09 61
  78 8.7 87
  79 1 10
  86 2.9 29
  89 0.69 7
  90 5.6 56
  91 7.1 71
  92 1.4 14
  95 0.77 8
  102 1.9 19
  103 8.7 87
  104 5.8 58
  105 0.1 1
  115 1.9 19
  116 4.4 44
  117 3.3 33
  118 1.1 11
  119 1.1 11
  128 3.3 33
  129 3.5 35
  130 3.85 39
  131 6.8 68
  132 1.3 13
  142 1.9 19
  143 0.16 2
  144 8.7 87
  145 1.4 14
  154 8.1 81
  155 0.94 9
  156 5.8 58
  157 11.6 116
  158 1.6 16
  169 0.18 2
  170 3.5 35
  171 69.3 693
  172 99.99 999
  173 13 130
//
