MassBank Record: MSBNK-Waters-WA001174
ACCESSION: MSBNK-Waters-WA001174
RECORD_TITLE: Amisulpride; 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$NAME: Amisulpride
CH$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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0920000000-036d9b23b3014e0819ea
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
106 8 8
107 67 67
108 59 59
110 43 43
112 196 196
113 12 12
120 35 35
121 133 133
122 71 71
123 8 8
124 12 12
125 8 8
132 35 35
133 8 8
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150 78 78
151 8 8
153 8 8
163 8 8
168 172 172
169 12 12
170 12 12
178 55 55
180 8 8
196 999 999
197 78 78
198 59 59
199 8 8
214 165 165
215 8 8
216 8 8
242 548 548
243 47 47
244 31 31
370 27 27
//