ACCESSION: MSBNK-Waters-WA000210
RECORD_TITLE: Dichlorprop; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Dichlorprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈Cl₂O₃
CH$EXACT_MASS: 233.98505
CH$SMILES: OC(=O)C(C)Oc(c1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
CH$LINK: CAS 120-36-5
CH$LINK: INCHIKEY MZHCENGPTKEIGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020440

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 232.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03k9-0910000000-ae39a785b796cc8c152e
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  101 16 16
  103 16 16
  105 8 8
  106 16 16
  108 8 8
  110 16 16
  112 16 16
  115 16 16
  117 16 16
  119 16 16
  121 16 16
  123 8 8
  124 811 811
  126 8 8
  127 24 24
  129 20 20
  131 8 8
  132 20 20
  135 12 12
  137 8 8
  138 20 20
  140 12 12
  142 8 8
  143 16 16
  146 12 12
  148 20 20
  150 20 20
  152 16 16
  155 24 24
  157 16 16
  159 12 12
  161 999 999
  163 16 16
  165 16 16
  167 16 16
  169 12 12
  171 20 20
  174 16 16
  175 12 12
  177 12 12
  180 16 16
  182 12 12
  184 12 12
  185 12 12
  187 24 24
  189 8 8
  190 20 20
  192 8 8
  193 24 24
  196 20 20
  198 24 24
  200 12 12
  202 16 16
  203 20 20
  206 20 20
  208 8 8
  210 27 27
  211 12 12
  213 16 16
  215 20 20
  218 20 20
  220 16 16
  222 16 16
  225 16 16
  228 16 16
  229 20 20
  231 12 12
  234 16 16
  237 16 16
  239 20 20
  241 16 16
  243 12 12
  245 20 20
  247 20 20
  249 12 12
//