MassBank Record: MSBNK-Waters-WA001068
ACCESSION: MSBNK-Waters-WA001068
RECORD_TITLE: Metoclopramide; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
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$LINK: CAS
364-62-5
CH$LINK: INCHIKEY
TTWJBBZEZQICBI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6045169
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0fb9-0196000000-31d8709086aa7cf440b3
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
100 16 16
143 8 8
150 16 16
184 67 67
186 20 20
193 67 67
227 999 999
228 114 114
229 317 317
230 31 31
266 27 27
300 686 686
301 106 106
302 231 231
303 39 39
//