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MassBank Record: WA001022

Gliclazide; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA001022
RECORD_TITLE: Gliclazide; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-03fr-0900000000-6025658b83864a8fbb41
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  108 12 12
  109 12 12
  110 999 999
  111 184 184
  112 8 8
  119 47 47
  125 125 125
  127 501 501
  128 31 31
  132 20 20
  149 16 16
  151 59 59
  153 180 180
  155 74 74
  168 47 47
  169 27 27
  172 12 12
  220 20 20
  324 67 67
  325 12 12
  346 86 86
  347 16 16
  362 27 27
//

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