ACCESSION: MSBNK-Waters-WA001021
RECORD_TITLE: Gliclazide; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-03di-0900000000-4f53e6a2ebc5d171ff9b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  108 8 8
  109 16 16
  110 999 999
  111 282 282
  112 12 12
  119 59 59
  125 118 118
  126 8 8
  127 262 262
  128 16 16
  132 31 31
  149 27 27
  151 47 47
  153 118 118
  155 47 47
  168 12 12
  220 20 20
  324 12 12
  346 43 43
  347 8 8
  362 24 24
  368 8 8
//