MassBank Record: MSBNK-Waters-WA000653
ACCESSION: MSBNK-Waters-WA000653
RECORD_TITLE: Sotalol; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Sotalol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20N2O3S
CH$EXACT_MASS: 272.11946
CH$SMILES: CC(C)NCC(O)c(c1)ccc(c1)NS(C)(=O)=O
CH$IUPAC: InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
CH$LINK: CAS
3930-20-9
CH$LINK: INCHIKEY
ZBMZVLHSJCTVON-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0023589
AC$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$CHROMATOGRAPHY: RETENTION_TIME 5.300 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0190000000-1009c88cbae8666a86c1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
102 20 20
120 20 20
124 20 20
135 12 12
161 12 12
166 8 8
177 129 129
178 12 12
191 16 16
195 16 16
207 16 16
209 27 27
213 78 78
225 27 27
241 12 12
255 999 999
256 106 106
257 39 39
273 537 537
274 51 51
275 24 24
//