ACCESSION: MSBNK-Waters-WA000058
RECORD_TITLE: Clomeprop; 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$NAME: Clomeprop
CH$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 30 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$SPLASH: splash10-05fu-2900000000-4a13d270ad26ffcef58d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  55 12 12
  57 20 20
  65 8 8
  72 8 8
  77 31 31
  79 24 24
  91 184 184
  93 404 404
  94 43 43
  103 176 176
  105 607 607
  106 67 67
  117 24 24
  120 999 999
  121 27 27
  130 16 16
  132 47 47
  133 12 12
  139 118 118
  140 16 16
  148 407 407
  149 71 71
  159 24 24
  166 16 16
  168 106 106
  169 8 8
  175 47 47
  203 106 106
//