ACCESSION: MSBNK-Waters-WA001065
RECORD_TITLE: Metoclopramide; LC-ESI-Q; MS; POS; 75 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 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001i-0910000000-9a9a8fd34c12ab5921e8
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  100 16 16
  101 12 12
  105 8 8
  106 8 8
  107 35 35
  108 39 39
  113 125 125
  114 8 8
  115 43 43
  119 8 8
  120 67 67
  121 16 16
  122 12 12
  126 129 129
  127 12 12
  128 137 137
  129 24 24
  130 27 27
  131 39 39
  133 8 8
  134 12 12
  135 8 8
  141 388 388
  142 24 24
  143 121 121
  144 51 51
  146 12 12
  147 16 16
  148 86 86
  149 12 12
  150 51 51
  154 102 102
  155 8 8
  156 153 153
  157 12 12
  158 35 35
  167 35 35
  168 145 145
  169 141 141
  170 90 90
  171 39 39
  172 16 16
  182 12 12
  183 153 153
  184 999 999
  185 133 133
  186 309 309
  187 67 67
  189 12 12
  211 8 8
  212 165 165
  213 20 20
  214 55 55
  227 212 212
  228 20 20
  229 67 67
  300 74 74
  301 12 12
  302 24 24
//