ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002024
RECORD_TITLE: 3-METHYL-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$NAME: 3-METHYL-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10N2
CH$EXACT_MASS: 158.08440
CH$SMILES: Cc(c2)nn(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3
CH$LINK: INCHIKEY RJXLUGSJEMSDPK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40150179
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$SPLASH: splash10-0pdi-9600000000-2f524f09fb70028732ea
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  26 4.1 41
  27 13.3 133
  28 7 70
  37 0.14 1
  38 5.3 53
  39 17 170
  40 4.2 42
  41 0.46 5
  42 7.2 72
  50 10.8 108
  51 48.3 483
  52 1.03 10
  53 4.4 44
  54 5.3 53
  55 6.6 66
  62 0.22 2
  63 9.8 98
  64 9.2 92
  65 7.6 76
  66 0.38 4
  67 1.3 13
  74 2.1 21
  75 2.7 27
  76 0.4 4
  77 65.3 653
  78 9.4 94
  79 4.1 41
  81 0.59 6
  88 1.2 12
  89 12.5 125
  90 20.4 204
  91 0.74 7
  92 1.1 11
  93 1.3 13
  102 1.5 15
  103 0.41 4
  104 7.6 76
  105 1.5 15
  115 3.6 36
  116 0.86 9
  117 10.4 104
  118 4 40
  128 2.1 21
  129 0.4 4
  130 30 300
  131 5.5 55
  132 3.2 32
  142 0.41 4
  143 4.6 46
  155 1.8 18
  156 4.9 49
  157 5.51 55
  158 99.99 999
  159 12 120
//
