MassBank Record: WA001919



 Meclofenoxate; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001919
RECORD_TITLE: Meclofenoxate; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Meclofenoxate CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16ClNO3 CH$EXACT_MASS: 257.08187 CH$SMILES: CN(C)CCOC(=O)COc(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3 CH$LINK: CAS 51-68-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.780 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0090000000-d770ee80bb483aa112ea PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 163 20 20 164 8 8 224 8 8 240 16 16 258 999 999 259 141 141 260 325 325 261 43 43 //