MassBank Record: WA001066



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

ACCESSION: WA001066
RECORD_TITLE: Metoclopramide; LC-ESI-Q; MS; POS; 60 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$NAME: Metoclopramide CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22ClN3O2 CH$EXACT_MASS: 299.14005 CH$SMILES: CCN(CC)CCNC(=O)c(c1)c(OC)cc(N)c(Cl)1 CH$IUPAC: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19) CH$LINK: CAS 364-62-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.000 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-003r-0940000000-9038a7cc9030d7742450 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 100 67 67 107 8 8 108 8 8 120 20 20 126 27 27 128 31 31 130 8 8 141 43 43 143 16 16 144 12 12 148 24 24 149 16 16 150 86 86 151 8 8 154 12 12 156 43 43 158 12 12 167 8 8 168 16 16 169 27 27 170 12 12 171 8 8 183 165 165 184 999 999 185 129 129 186 309 309 187 35 35 193 16 16 212 121 121 213 12 12 214 43 43 227 599 599 228 67 67 229 200 200 230 20 20 300 59 59 301 8 8 302 20 20 //