ACCESSION: MSBNK-Waters-WA001176
RECORD_TITLE: Amisulpride; 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$NAME: Amisulpride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₇N₃O₄S
CH$EXACT_MASS: 369.17223
CH$SMILES: CCN(C2)C(CC2)CNC(=O)c(c(OC)1)cc(c(N)c1)S(=O)(=O)CC
CH$IUPAC: InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
CH$LINK: CAS 71675-85-9
CH$LINK: INCHIKEY NTJOBXMMWNYJFB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5042613

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 60 V

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

PK$SPLASH: splash10-01ox-0692000000-65564bb8d53267a2670c
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  112 513 513
  113 24 24
  127 8 8
  129 39 39
  150 137 137
  151 8 8
  155 27 27
  196 51 51
  214 35 35
  242 999 999
  243 98 98
  244 74 74
  370 278 278
  371 51 51
  372 20 20
//