ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002014
RECORD_TITLE: 3-CHLORO-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$NAME: 3-CHLORO-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7ClN2
CH$EXACT_MASS: 178.02978
CH$SMILES: Clc(c2)nn(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H7ClN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H
CH$LINK: INCHIKEY HWFSRRHSZVBHFW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30345012
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$SPLASH: splash10-004i-6900000000-1ced0f570a21202f6c8e
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  26 4 40
  27 9.2 92
  28 4.7 47
  36 0.18 2
  38 10.7 107
  39 24.1 241
  40 6.2 62
  41 0.24 2
  47 2.8 28
  49 1.6 16
  50 15.8 158
  51 5.53 55
  52 15.6 156
  53 1.7 17
  61 1.7 17
  62 0.64 6
  63 15.1 151
  64 11.1 111
  65 10.2 102
  66 0.22 2
  71 2.5 25
  71.5 1.7 17
  72 2.6 26
  73 0.36 4
  74 5 50
  75 8.1 81
  76 6.2 62
  77 6.46 65
  78 7.5 75
  88 2.6 26
  89 21.7 217
  90 1.19 12
  91 3.9 39
  102 1.4 14
  103 2 20
  104 0.85 9
  114 3.2 32
  115 11.3 113
  116 45.4 454
  117 0.9 9
  124 6.2 62
  126 1.5 15
  141 1.7 17
  142 1.87 19
  143 36.2 362
  144 4.3 43
  151 6.8 68
  152 0.7 7
  153 2.7 27
  154 2.2 22
  177 1.8 18
  178 99.99 999
  179 12.4 124
  180 33.3 333
  181 3.9 39
//
