MassBank Record: WA000056



 Clomeprop; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000056
RECORD_TITLE: Clomeprop; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 84496-56-0
AC$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 10 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: splash10-00di-2319000000-13abdbee1471db97897d PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 93 235 235 120 168 168 148 165 165 149 16 16 203 168 168 324 999 999 325 31 31 //