ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007528
RECORD_TITLE: PENTACHLOROPHENYL 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$NAME: PENTACHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₃Cl₅O₂
CH$EXACT_MASS: 305.85757
CH$SMILES: CC(=O)Oc(c(Cl)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8H3Cl5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3
CH$LINK: INCHIKEY RRYATXLRCBOQTJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00932216

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$SPLASH: splash10-0006-9260000000-a896652b8e19de9360f3
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  35 3.8 38
  38 1.3 13
  41 1.6 16
  42 0.23 2
  43 99.99 999
  44 2 20
  55 1.3 13
  57 0.14 1
  60 1.9 19
  61 3.2 32
  62 1.1 11
  71 0.16 2
  72 1 10
  73 1.3 13
  83 1.6 16
  85 0.1 1
  95 3.1 31
  96 3.8 38
  97 2.6 26
  98 0.14 1
  106 1.1 11
  107 1.9 19
  108 1.3 13
  109 0.14 1
  117 1 10
  119 1 10
  130 2.2 22
  131 0.58 6
  132 1.9 19
  133 3.8 38
  135 1 10
  141 0.16 2
  143 1.7 17
  145 1 10
  162 1 10
  165 0.29 3
  166 1.6 16
  167 3.5 35
  168 1.6 16
  169 0.16 2
  194 1.4 14
  196 4.1 41
  198 3.2 32
  200 0.13 1
  201 2.5 25
  202 1 10
  203 2.9 29
  205 0.14 1
  230 16 160
  231 1.1 11
  232 22 220
  233 0.13 1
  234 9.2 92
  235 1.7 17
  236 1.7 17
  237 0.19 2
  239 1.3 13
  264 7.3 73
  266 10.9 109
  267 0.1 1
  268 8 80
  270 2.5 25
  272 2.8 28
  274 0.34 3
  276 1.3 13
  306 1.4 14
  308 3.1 31
  310 1.4 14
//