MassBank Record: MSBNK-Waters-WA001021
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
//
system version 2.2.6-SNAPSHOT