ACCESSION: MSBNK-Waters-WA000057
RECORD_TITLE: Clomeprop; LC-ESI-QQ; MS2; CE:20 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$NAME: Clomeprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₅Cl₂NO₂
CH$EXACT_MASS: 323.04798
CH$SMILES: O=C(Nc(c2)cccc2)C(C)Oc(c1)c(Cl)c(C)c(Cl)c1
CH$IUPAC: InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)
CH$LINK: CAS 84496-56-0
CH$LINK: INCHIKEY BDQWWOHKFDSADC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0058198

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 324
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0fdk-0920000000-06b7103bb542b4579bd2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  90 20 20
  92 27 27
  93 231 231
  103 59 59
  105 262 262
  106 47 47
  120 979 979
  121 27 27
  132 20 20
  139 31 31
  147 125 125
  148 999 999
  150 24 24
  167 31 31
  168 20 20
  175 27 27
  203 635 635
  204 16 16
  324 12 12
//