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MassBank Record: WA001023

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

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

ACCESSION: WA001023
RECORD_TITLE: Gliclazide; 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$NAME: Gliclazide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H21N3O3S
CH$EXACT_MASS: 323.13036
CH$SMILES: Cc(c3)ccc(c3)S(=O)(=O)NC(=O)NN(C1)CC(C2)C(CC2)1
CH$IUPAC: InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)
CH$LINK: CAS 21187-98-4
CH$LINK: INCHIKEY BOVGTQGAOIONJV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023095

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 17.000 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$SPLASH: splash10-0200-0903000000-830bad1c79271cb97272
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  108 8 8
  110 999 999
  111 86 86
  119 8 8
  125 188 188
  127 983 983
  128 67 67
  132 8 8
  151 63 63
  152 8 8
  153 219 219
  154 12 12
  155 74 74
  168 149 149
  169 106 106
  170 8 8
  172 20 20
  220 8 8
  236 8 8
  324 588 588
  325 98 98
  326 35 35
  346 172 172
  347 27 27
  348 12 12
  362 133 133
  363 20 20
  364 20 20
//

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