ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002015
RECORD_TITLE: 4-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$NAME: 4-CHLORO-1-PHENYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇ClN₂
CH$EXACT_MASS: 178.02978
CH$SMILES: Clc(c2)cn(n2)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H7ClN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
CH$LINK: COMPTOX DTXSID70345011
CH$LINK: INCHIKEY OAWHISBYSDFHHU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:601137

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$SPLASH: splash10-0fb9-9700000000-1eb9d77effb71d5320bc
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  26 2.4 24
  27 9.4 94
  28 8.3 83
  36 0.17 2
  37 3.3 33
  38 10.4 104
  39 19 190
  40 0.27 3
  41 1.4 14
  47 3.7 37
  48 3.1 31
  49 0.22 2
  50 16.4 164
  51 65.3 653
  52 9.2 92
  60 0.39 4
  61 1.8 18
  62 5.3 53
  63 13.4 134
  64 0.87 9
  65 5.7 57
  66 1.9 19
  73 2.6 26
  74 0.96 10
  75 6.8 68
  76 7.2 72
  77 85.1 851
  78 0.75 8
  86 1.6 16
  87 1.4 14
  88 3 30
  89 2.56 26
  90 14.1 141
  91 7.7 77
  102 1 10
  103 0.14 1
  104 10.2 102
  105 1.1 11
  114 3.1 31
  115 1.87 19
  116 22 220
  117 9 90
  118 7.7 77
  123 0.19 2
  124 6.4 64
  125 1.5 15
  126 2.2 22
  142 0.89 9
  143 19.9 199
  144 9 90
  150 3.3 33
  151 0.75 8
  152 13.9 139
  153 3.6 36
  154 4.5 45
  177 0.31 3
  178 99.99 999
  179 12.8 128
  180 33.3 333
  181 4 40
//