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MassBank Record: WA000804

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

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

ACCESSION: WA000804
RECORD_TITLE: Glimepiride; 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$NAME: Glimepiride
CH$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 NEGATIVE
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 30 V

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

PK$SPLASH: splash10-000i-0000900000-a1c3fe7955f6d2dfb7a2
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  351 16 16
  364 8 8
  489 999 999
  490 231 231
  491 90 90
  492 8 8
//

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