ACCESSION: MSBNK-Waters-WA000651
RECORD_TITLE: Sotalol; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-001i-0930000000-78d03a76926cf1d539be
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  106 176 176
  107 86 86
  108 16 16
  116 8 8
  117 24 24
  118 208 208
  119 74 74
  120 12 12
  133 999 999
  134 490 490
  135 47 47
  161 16 16
  162 8 8
  165 8 8
  166 8 8
  176 149 149
  177 24 24
  213 521 521
  214 39 39
  215 20 20
  216 8 8
  255 212 212
  256 20 20
  257 8 8
  273 110 110
  274 12 12
//