ACCESSION: MSBNK-Waters-WA002504
RECORD_TITLE: Tolbutamide; 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$NAME: Tolbutamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈N₂O₃S
CH$EXACT_MASS: 270.10381
CH$SMILES: CCCCNC(=O)NS(=O)(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
CH$LINK: CAS 64-77-7
CH$LINK: INCHIKEY JLRGJRBPOGGCBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021359

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 16.100 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$SPLASH: splash10-00di-0591000000-c026f26de4bafbdb4dc8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  109 20 20
  115 16 16
  117 55 55
  119 35 35
  122 16 16
  132 27 27
  139 31 31
  155 337 337
  156 24 24
  157 16 16
  172 435 435
  173 27 27
  174 20 20
  194 12 12
  220 16 16
  240 212 212
  241 35 35
  249 16 16
  271 999 999
  272 129 129
  273 47 47
  277 39 39
  288 16 16
  293 302 302
  294 27 27
  295 12 12
  309 176 176
  310 35 35
  311 20 20
//