ACCESSION: MSBNK-Waters-WA002168
RECORD_TITLE: Sultopride; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-03e9-0920000000-849d96e0c3e1a7cd1504
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  104 20 20
  105 12 12
  106 12 12
  110 51 51
  112 999 999
  113 78 78
  134 541 541
  135 71 71
  199 368 368
  200 31 31
  201 20 20
  227 376 376
  228 39 39
  229 20 20
  355 12 12
//