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MassBank Record: WA001547

Glyburide; LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: WA001547
RECORD_TITLE: Glyburide; 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$NAME: Glyburide
CH$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 POSITIVE
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 15 V

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

PK$SPLASH: splash10-0007-0000900000-46f952994a5a03e058f7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  143 27 27
  288 8 8
  369 74 74
  370 31 31
  458 8 8
  460 12 12
  476 16 16
  494 999 999
  495 184 184
  496 451 451
  497 86 86
  498 31 31
  511 27 27
  513 12 12
  516 31 31
  517 24 24
  518 20 20
  532 43 43
  533 8 8
  534 24 24
//

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