ACCESSION: MSBNK-Waters-WA002505
RECORD_TITLE: Tolbutamide; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-00di-0190000000-7a2c68430d4fc81d24b2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  113 20 20
  117 82 82
  131 12 12
  155 12 12
  172 63 63
  240 16 16
  271 999 999
  272 125 125
  273 47 47
  277 20 20
  288 35 35
  293 133 133
  294 12 12
  295 12 12
  309 90 90
  310 16 16
  311 12 12
//