ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008156
RECORD_TITLE: 2,6-DICHLOROTHIOBENZAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 2,6-DICHLOROTHIOBENZAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5Cl2NS
CH$EXACT_MASS: 204.95198
CH$SMILES: NC(=S)c(c(Cl)1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
CH$LINK: INCHIKEY KGKGSIUWJCAFPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041783
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fr-3940000000-8ca4a2ae499db498cded
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  33 1.24 12
  34 0.95 10
  35 0.87 9
  36 2.82 28
  37 2.61 26
  38 1.93 19
  39 0.96 10
  45 2.3 23
  49 1.61 16
  50 4.64 46
  51 2.56 26
  52 1.52 15
  59 2.09 21
  60 29.24 292
  61 2.39 24
  62 2.5 25
  63 3.46 35
  68 0.91 9
  69 2.72 27
  73 2.87 29
  74 7.01 70
  75 10.84 108
  76 3.34 33
  78 1.31 13
  84 2.63 26
  85 3.31 33
  86 2.11 21
  90 3.52 35
  93 1.4 14
  99 1.5 15
  100 6.45 65
  101 1.72 17
  102 2.34 23
  107 2.67 27
  108 3.51 35
  109 3.97 40
  110 1.76 18
  111 5.04 50
  112 0.9 9
  113 1.3 13
  119 1.87 19
  133 1.56 16
  134 10.43 104
  135 6.74 67
  136 9.52 95
  137 4.58 46
  138 4.17 42
  139 1.47 15
  142 1.96 20
  143 4.61 46
  144 1.24 12
  145 2.49 25
  146 3.47 35
  147 0.8 8
  148 2.06 21
  154 2.44 24
  169 1.71 17
  170 99.99 999
  171 12.79 128
  172 45.43 454
  173 6.45 65
  174 7.2 72
  175 1.18 12
  176 0.97 10
  177 0.97 10
  189 7.51 75
  191 5.15 52
  193 1 10
  205 60.54 605
  206 13.4 134
  207 42.28 423
  208 9.28 93
  209 8.67 87
  210 1.79 18
//
