ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007482
RECORD_TITLE: 2,4,5-TRICHLOROPHENOXYACETIC ACID TRIMETHYLSILYL ESTER; 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$NAME: 2,4,5-TRICHLOROPHENOXYACETIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13Cl3O3Si
CH$EXACT_MASS: 325.96995
CH$SMILES: O=C(COc(c1)c(Cl)cc(Cl)c(Cl)1)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C11H13Cl3O3Si/c1-18(2,3)17-11(15)6-16-10-5-8(13)7(12)4-9(10)14/h4-5H,6H2,1-3H3
CH$LINK: INCHIKEY DXJQCDVGISANSY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10955658
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$SPLASH: splash10-00di-9010000000-465562f33d8394355c3f
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  43 1.8 18
  44 1.4 14
  45 4.6 46
  47 0.21 2
  58 0.7 7
  59 0.7 7
  61 0.7 7
  72 0.21 2
  73 99.99 999
  74 10.1 101
  75 16.9 169
  76 0.1 1
  93 9 90
  95 4.3 43
  97 0.7 7
  101 0.07 1
  109 0.7 7
  116 0.7 7
  117 2.5 25
  145 0.07 1
  179 0.7 7
  181 1.4 14
  193 1 10
  195 0.1 1
  232 1 10
  237 1.4 14
  239 1.4 14
  247 0.1 1
  249 0.7 7
  253 1.4 14
  255 1.4 14
  267 0.61 6
  268 0.7 7
  269 5.4 54
  271 1.4 14
  283 0.14 1
  285 1.4 14
  291 4.3 43
  293 2.8 28
  296 0.07 1
  326 6.4 64
  327 0.7 7
  328 6.4 64
  330 1.8 18
//
