ACCESSION: MSBNK-Waters-WA001175
RECORD_TITLE: Amisulpride; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-01ox-0890000000-5bd5a47e8e05f607a80b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  107 27 27
  108 8 8
  110 16 16
  112 404 404
  113 20 20
  120 8 8
  121 8 8
  122 8 8
  127 8 8
  129 12 12
  135 8 8
  140 8 8
  147 16 16
  149 67 67
  150 90 90
  151 8 8
  155 12 12
  168 31 31
  178 12 12
  196 517 517
  197 35 35
  198 27 27
  214 168 168
  215 12 12
  216 12 12
  242 999 999
  243 102 102
  244 78 78
  370 51 51
  371 8 8
//