MassBank Record: MSBNK-Waters-WA000650
ACCESSION: MSBNK-Waters-WA000650
RECORD_TITLE: Sotalol; 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$NAME: Sotalol
CH$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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-053r-0910000000-2571723c1ebd3280990b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
106 564 564
107 290 290
108 16 16
116 27 27
117 102 102
118 172 172
119 71 71
120 16 16
132 24 24
133 999 999
134 404 404
135 31 31
144 16 16
162 8 8
176 47 47
177 8 8
180 8 8
195 12 12
213 141 141
214 8 8
255 82 82
273 114 114
274 8 8
//