ACCESSION: MSBNK-Waters-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: 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 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
//