MassBank Record: WA000044



 Cloquintocet-mexyl; 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: WA000044
RECORD_TITLE: Cloquintocet-mexyl; 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$NAME: Cloquintocet-mexyl CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H22ClNO3 CH$EXACT_MASS: 335.12882 CH$SMILES: CCCCCC(C)OC(=O)COc(c1)c(n2)c(ccc2)c(Cl)c1 CH$IUPAC: InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3 CH$LINK: CAS 99607-70-2
AC$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 336 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0009000000-6e2924ce4b09a9e901f2 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 238 51 51 336 999 999 338 39 39 //