ACCESSION: MSBNK-Waters-WA000649
RECORD_TITLE: Sotalol; 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$NAME: Sotalol
CH$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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a59-0900000000-23869e4e91707e85d527
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  104 8 8
  106 999 999
  107 313 313
  108 27 27
  116 47 47
  117 133 133
  118 165 165
  119 78 78
  120 12 12
  126 12 12
  132 43 43
  133 690 690
  134 200 200
  135 8 8
  144 8 8
  162 8 8
  176 16 16
  195 8 8
  198 8 8
  213 59 59
  255 63 63
  256 8 8
  273 129 129
  274 12 12
//