ACCESSION: MSBNK-Waters-WA002445
RECORD_TITLE: Veralipride; 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$NAME: Veralipride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₅N₃O₅S
CH$EXACT_MASS: 383.15149
CH$SMILES: C=CCN(C2)C(CC2)CNC(=O)c(c1)c(OC)c(OC)cc1S(N)(=O)=O
CH$IUPAC: InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)
CH$LINK: CAS 66644-81-3
CH$LINK: INCHIKEY RYJXBGGBZJGVQF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6046268

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 11.460 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$SPLASH: splash10-00di-0932000000-f8512aa008c19c1a0dbf
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  110 137 137
  122 12 12
  124 999 999
  125 67 67
  244 368 368
  245 31 31
  246 20 20
  324 12 12
  342 31 31
  384 259 259
  385 47 47
  386 16 16
  406 20 20
//