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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007527

2,3,4,5-TETRACHLOROPHENYL ACETATE; EI-B; MS

Mass Spectrum
50.00100.0150.0200.0250.0m/z0.000200.0400.0600.0800.01000Abundance
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007527
RECORD_TITLE: 2,3,4,5-TETRACHLOROPHENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2,3,4,5-TETRACHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H4Cl4O2
CH$EXACT_MASS: 271.89654
CH$SMILES: CC(=O)Oc(c1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8H4Cl4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3
CH$LINK: INCHIKEY QHRJCQOAJGBWRV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80964151

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-001l-7290000000-491c7690195523480b73
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  35 1.5 15
  37 1.8 18
  41 1.4 14
  42 0.5 5
  43 99.99 999
  44 3.5 35
  47 2 20
  49 0.15 2
  60 5 50
  61 10.7 107
  62 1.5 15
  71 0.25 3
  72 2.1 21
  73 2 20
  83 2.6 26
  84 0.18 2
  85 1.5 15
  87 1.4 14
  95 3.4 34
  96 1.2 12
  97 3.1 31
  98 4.3 43
  106 1.8 18
  107 0.48 5
  108 3.7 37
  109 2.8 28
  117 1.5 15
  119 0.14 1
  130 2 20
  131 18.1 181
  132 1.8 18
  133 1 10
  135 1.8 18
  141 2.9 29
  143 3.9 39
  145 0.15 2
  166 2.5 25
  167 2.9 29
  168 2.9 29
  169 0.17 2
  194 3.4 34
  196 2.1 21
  198 2.8 28
  201 0.62 6
  203 9.8 98
  205 4.2 42
  230 49.6 496
  231 0.39 4
  232 68.8 688
  233 3.2 32
  234 23.7 237
  235 0.14 1
  236 7.3 73
  266 1.5 15
  268 1.2 12
  272 0.81 8
  274 6.5 65
  275 1.8 18
  276 6.5 65
//

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