ACCESSION: MSBNK-Waters-WA002171
RECORD_TITLE: Sultopride; 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$NAME: Sultopride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆N₂O₄S
CH$EXACT_MASS: 354.16133
CH$SMILES: CCN(C2)C(CC2)CNC(=O)c(c(OC)1)cc(cc1)S(=O)(=O)CC
CH$IUPAC: InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
CH$LINK: CAS 53583-79-2
CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023627

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 10.830 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$SPLASH: splash10-0a4i-0309000000-89e527d1c37d7e7dd096
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  112 521 521
  113 35 35
  227 12 12
  355 999 999
  356 196 196
  357 74 74
//