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MassBank Record: WA001548

Glyburide; LC-ESI-Q; MS; NEG; 30 V

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

ACCESSION: WA001548
RECORD_TITLE: Glyburide; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Glyburide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H28ClN3O5S
CH$EXACT_MASS: 493.14382
CH$SMILES: COc(c3)c(cc(Cl)c3)C(=O)NCCc(c2)ccc(c2)S(=O)(=O)NC(=O)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
CH$LINK: CAS 10238-21-8
CH$LINK: INCHIKEY ZNNLBTZKUZBEKO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0037237

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 18.290 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$SPLASH: splash10-0006-0000900000-f0c3846ea295e8ef0f39
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  196 8 8
  198 12 12
  200 8 8
  222 8 8
  261 8 8
  349 8 8
  367 24 24
  368 31 31
  369 24 24
  370 12 12
  458 8 8
  460 8 8
  462 8 8
  474 12 12
  492 999 999
  493 251 251
  494 400 400
  495 114 114
  496 31 31
  498 8 8
  528 8 8
  530 8 8
//

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