ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004244
RECORD_TITLE: 2-(2,4,5-TRICHLOROPHENOXY)PROPIONIC ACID METHYL 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$NAME: 2-(2,4,5-TRICHLOROPHENOXY)PROPIONIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9Cl3O3
CH$EXACT_MASS: 281.96173
CH$SMILES: COC(=O)C(C)Oc(c1)c(Cl)cc(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C10H9Cl3O3/c1-5(10(14)15-2)16-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3
CH$LINK: INCHIKEY YTAXYXOJOYIQQO-UHFFFAOYSA-N
AC$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: splash10-0002-3940000000-6b385e3b6ca903ad8e0b
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  41 3.5 35
  43 6.3 63
  45 3.3 33
  55 2.19 22
  56 3.5 35
  57 1.2 12
  59 34.1 341
  61 0.22 2
  62 4.5 45
  63 1 10
  72 1.2 12
  73 0.22 2
  74 1.7 17
  83 2 20
  84 1.5 15
  85 0.12 1
  87 27.8 278
  88 1 10
  96 1 10
  97 1.04 10
  99 4 40
  107 3 30
  108 2.5 25
  109 0.61 6
  110 1 10
  111 1.7 17
  125 1 10
  132 0.45 5
  133 3.3 33
  134 2.8 28
  135 1.7 17
  143 0.61 6
  144 3.5 35
  145 4 40
  146 2 20
  159 0.45 5
  160 3.3 33
  161 4.3 43
  162 2.8 28
  163 0.12 1
  164 1 10
  167 7.3 73
  169 7.1 71
  171 0.2 2
  179 5.1 51
  181 4.8 48
  183 1.2 12
  187 0.2 2
  188 7.3 73
  189 2.2 22
  190 4.5 45
  195 0.61 6
  196 99.99 999
  197 12.5 125
  198 95.9 959
  199 0.84 8
  200 30.3 303
  201 1.7 17
  202 2.8 28
  223 3.67 37
  224 3.5 35
  225 36.4 364
  226 2.8 28
  227 1.14 11
  247 1.7 17
  282 30.8 308
  283 3.5 35
  284 3.01 30
  285 3 30
  286 10.2 102
  288 1 10
//
