MassBank Record: WA002593



 Mecoprop; LC-ESI-Q; MS; NEG; 60 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002593
RECORD_TITLE: Mecoprop; LC-ESI-Q; MS; NEG; 60 V, 90 V
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$NAME: Mecoprop CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11ClO3 CH$EXACT_MASS: 214.03967 CH$SMILES: OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1 CH$IUPAC: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13) CH$LINK: CAS 7085-19-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 17.340 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0900000000-25c3fc68e1662b1243ce PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 105 141 141 106 12 12 121 51 51 122 16 16 132 12 12 133 12 12 141 999 999 142 74 74 143 309 309 144 24 24 154 20 20 161 12 12 163 16 16 169 114 114 171 31 31 213 47 47 215 20 20 //