ACCESSION: MSBNK-Waters-WA002501
RECORD_TITLE: Tolbutamide; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Tolbutamide
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-0a4l-0963000000-9860a7941b8106332667
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  100 16 16
  101 31 31
  102 16 16
  104 86 86
  105 24 24
  106 204 204
  107 82 82
  109 462 462
  111 20 20
  116 12 12
  119 639 639
  120 12 12
  122 545 545
  123 47 47
  126 16 16
  127 24 24
  132 317 317
  134 16 16
  139 55 55
  147 20 20
  149 20 20
  154 24 24
  155 286 286
  156 27 27
  157 20 20
  158 12 12
  160 12 12
  161 27 27
  162 47 47
  163 20 20
  164 24 24
  167 20 20
  170 12 12
  171 20 20
  172 31 31
  173 16 16
  175 27 27
  177 24 24
  178 74 74
  182 20 20
  183 39 39
  184 137 137
  186 12 12
  188 12 12
  191 20 20
  194 35 35
  195 24 24
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  200 20 20
  204 27 27
  208 24 24
  210 196 196
  211 71 71
  213 20 20
  216 24 24
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  218 16 16
  220 27 27
  221 31 31
  222 12 12
  228 47 47
  229 24 24
  232 12 12
  233 74 74
  235 55 55
  236 24 24
  238 20 20
  240 400 400
  241 74 74
  242 16 16
  244 16 16
  247 20 20
  249 98 98
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  261 20 20
  262 24 24
  263 20 20
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  278 43 43
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  281 20 20
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  288 20 20
  293 642 642
  294 118 118
  295 71 71
  296 16 16
  299 31 31
  307 12 12
  309 999 999
  310 129 129
  311 90 90
  313 12 12
//