MassBank Record: MSBNK-Waters-WA001175
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
//