ACCESSION: MSBNK-Waters-WA002446
RECORD_TITLE: Veralipride; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0089-0409000000-f489d85370c5210cd5d2
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  110 43 43
  124 584 584
  125 43 43
  244 86 86
  342 47 47
  384 999 999
  385 188 188
  386 71 71
  406 12 12
//