ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010423
RECORD_TITLE: 5-ETHOXY-3-TRICHLOROMETHYL-1,2,4-THIADIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: 5-ETHOXY-3-TRICHLOROMETHYL-1,2,4-THIADIAZOLE
CH$NAME: ECHLOMEZOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₅Cl₃N₂OS
CH$EXACT_MASS: 245.91882
CH$SMILES: CCOc(s1)nc(n1)C(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
CH$LINK: INCHIKEY KQTVWCSONPJJPE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3032547

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-03e9-1960000000-1b26dd358c07ae51106e
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  36 1.83 18
  38 2.1 21
  44 1.26 13
  46 4.98 50
  47 2.96 30
  59 1.21 12
  61 3.76 38
  63 1.19 12
  70 1.86 19
  72 1.07 11
  73 2.79 28
  74 1.28 13
  75 3.65 37
  79 4.35 44
  81 1.27 13
  82 2.55 26
  84 1.56 16
  100 1.3 13
  101 5.41 54
  103 2.93 29
  105 1.84 18
  106 1.65 17
  108 10.54 105
  110 7 70
  112 1.19 12
  114 7.55 76
  116 4.13 41
  117 3.87 39
  118 1.54 15
  119 4.25 43
  121 1.42 14
  124 2.74 27
  126 1.57 16
  129 1.34 13
  138 1.27 13
  140 23.41 234
  141 3.21 32
  142 15.51 155
  143 2.73 27
  144 5.33 53
  146 2.34 23
  148 1.22 12
  149 3.07 31
  151 1.24 12
  174 1.03 10
  175 21.6 216
  176 1.73 17
  177 22.46 225
  178 1.11 11
  179 6.86 69
  181 1.41 14
  182 12.88 129
  183 75.9 759
  184 15.22 152
  185 55.14 551
  186 6.77 68
  187 11.55 116
  211 99.99 999
  212 7.07 71
  213 68.65 687
  214 5.48 55
  215 12.6 126
  216 1.2 12
  217 1.33 13
  218 11.22 112
  220 12 120
  222 4.59 46
  233 1.01 10
  246 14.66 147
  247 1.06 11
  248 14.25 143
  250 4.41 44
//