ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010150
RECORD_TITLE: 3-CHLOROTHIOPHENYL TRICHLOROMETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 3-CHLOROTHIOPHENYL TRICHLOROMETHYL ETHER
CH$NAME: 3-CHLORO-1-TRICHLOROMETHYLTIOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₄Cl₄S
CH$EXACT_MASS: 259.87878
CH$SMILES: Clc(c1)cc(cc1)SC(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C7H4Cl4S/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
CH$LINK: INCHIKEY IDIYVHNEJVLEBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70289981

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-004i-2490000000-34b85fa3e036afd9b7c9
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  37 1 10
  38 1 10
  39 1 10
  45 0.2 2
  50 10 100
  51 4 40
  61 2 20
  62 0.2 2
  63 8 80
  69 10 100
  73 6 60
  74 0.7 7
  75 22 220
  76 4 40
  79 17 170
  81 0.8 8
  82 5 50
  84 1 10
  85 2 20
  93 0.05 1
  95 0.5 5
  99 7 70
  101 2 20
  107 0.2 2
  108 38 380
  109 3 30
  111 18 180
  113 0.6 6
  117 32 320
  119 30 300
  121 10 100
  143 1.8 18
  144 1 10
  145 7 70
  146 0.5 5
  155 1.3 13
  157 4 40
  189 7 70
  190 4 40
  191 0.6 6
  192 3 30
  193 2 20
  225 97 970
  226 0.7 7
  227 99.99 999
  228 7 70
  229 35 350
  230 0.2 2
  231 4 40
  260 34 340
  262 45 450
  264 2.3 23
  266 5 50
//