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MassBank Record: WA002503

Tolbutamide; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002503
RECORD_TITLE: Tolbutamide; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0abc-0961000000-23698cdb2b9f24922a70
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  101 12 12
  106 16 16
  109 204 204
  110 16 16
  111 12 12
  115 20 20
  119 439 439
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  122 98 98
  130 12 12
  132 157 157
  139 55 55
  155 999 999
  156 67 67
  157 35 35
  172 411 411
  173 24 24
  174 31 31
  178 20 20
  183 16 16
  184 12 12
  194 20 20
  196 12 12
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  217 43 43
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  233 51 51
  240 584 584
  241 86 86
  249 35 35
  262 12 12
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  272 47 47
  273 27 27
  277 67 67
  293 431 431
  294 51 51
  295 35 35
  309 259 259
  310 31 31
  311 39 39
//

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