ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004245
RECORD_TITLE: (2,4,5-TRICHLOROPHENOXY)ACETIC ACID METHYLESTER; 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$NAME: (2,4,5-TRICHLOROPHENOXY)ACETIC ACID METHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇Cl₃O₃
CH$EXACT_MASS: 267.94608
CH$SMILES: COC(=O)COc(c1)c(Cl)cc(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3
CH$LINK: INCHIKEY JUCNGUOYQGHBJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80172875

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$SPLASH: splash10-05oa-2490000000-d8c5d05842f927494ddc
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  42 9.4 94
  43 7.2 72
  45 47.1 471
  50 0.07 1
  57 2.1 21
  59 20.2 202
  60 0.7 7
  61 0.28 3
  62 6.5 65
  63 1.4 14
  72 1.4 14
  73 5.79 58
  74 13 130
  75 2.1 21
  83 1.4 14
  84 0.28 3
  85 2.1 21
  92 0.7 7
  96 0.7 7
  97 1.3 13
  99 2.8 28
  105 0.7 7
  106 0.7 7
  107 0.43 4
  108 5 50
  109 15.2 152
  110 2.1 21
  111 0.5 5
  131 0.7 7
  132 0.7 7
  134 0.7 7
  141 0.14 1
  143 12.3 123
  144 7.2 72
  145 20.2 202
  146 1.52 15
  147 10.8 108
  148 7.9 79
  149 0.7 7
  160 0.07 1
  167 13.7 137
  169 15.2 152
  171 3.6 36
  173 0.07 1
  175 0.7 7
  179 19.5 195
  180 0.7 7
  181 2.6 26
  182 0.7 7
  183 11.5 115
  185 1.4 14
  186 0.21 2
  195 14.4 144
  196 5.7 57
  197 13.7 137
  198 0.57 6
  199 3.6 36
  200 0.7 7
  209 47.8 478
  210 0.57 6
  211 44.9 449
  212 3.6 36
  213 13.7 137
  232 0.07 1
  233 99.99 999
  234 10.8 108
  235 63.7 637
  236 0.43 4
  237 10.8 108
  268 54.3 543
  269 3.9 39
  270 5.65 57
  271 4.3 43
  272 16.6 166
  274 0.7 7
//