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
//