ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002016
RECORD_TITLE: 5-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$NAME: 5-CHLORO-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇ClN₂
CH$EXACT_MASS: 178.02978
CH$SMILES: Clc(c2)n(nc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H7ClN2/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H
CH$LINK: INCHIKEY OIYKQIJGNAJVOI-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$SPLASH: splash10-004i-8900000000-0a6cf8c3e93c4fb401f8
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  26 2.1 21
  27 9.5 95
  28 4.6 46
  36 0.16 2
  37 2.8 28
  38 7.6 76
  39 13.8 138
  40 0.42 4
  41 1.6 16
  47 1.5 15
  49 1.2 12
  50 1.73 17
  51 62.1 621
  52 7.3 73
  60 2.1 21
  61 0.14 1
  62 4.6 46
  63 9.7 97
  64 6.4 64
  65 0.98 10
  66 4.3 43
  67 1.2 12
  71 1.8 18
  71.5 0.12 1
  73 3.7 37
  74 5.5 55
  75 10 100
  76 0.62 6
  77 70.7 707
  78 9.7 97
  86 1.2 12
  87 0.11 1
  88 2.7 27
  89 20.1 201
  90 7.8 78
  91 0.3 3
  102 1.3 13
  103 1.1 11
  104 9.8 98
  114 0.24 2
  115 7.9 79
  116 46 460
  117 7.6 76
  124 0.38 4
  126 1.3 13
  142 8.5 85
  143 38 380
  144 0.45 5
  150 1.1 11
  151 8.1 81
  152 8.6 86
  153 0.33 3
  154 2.8 28
  177 1.7 17
  178 99.99 999
  179 1.21 12
  180 33.3 333
  181 3.9 39
//