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MassBank Record: WA000801

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

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

ACCESSION: WA000801
RECORD_TITLE: Glimepiride; 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$NAME: Glimepiride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H34N4O5S
CH$EXACT_MASS: 490.22499
CH$SMILES: CC(C3)CCC(C3)NC(=O)NS(=O)(=O)c(c1)ccc(CCNC(=O)N(C2)C(=O)C(CC)=C(C)2)c1
CH$IUPAC: InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
CH$LINK: CAS 93479-97-1
CH$LINK: INCHIKEY WIGIZIANZCJQQY-RUCARUNLSA-N
CH$LINK: COMPTOX DTXSID5040675

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 18.500 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$SPLASH: splash10-0udi-0309310000-89d4f9ebb240fe5383fc
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  114 27 27
  124 16 16
  126 439 439
  127 27 27
  157 12 12
  167 24 24
  335 27 27
  352 999 999
  353 180 180
  354 67 67
  355 8 8
  378 24 24
  491 380 380
  492 74 74
  493 20 20
  513 59 59
  514 12 12
  529 59 59
  530 12 12
  531 8 8
//

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