MassBank Record: WA001299



 Clonidine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001299
RECORD_TITLE: Clonidine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Clonidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9Cl2N3 CH$EXACT_MASS: 229.01735 CH$SMILES: Clc(c1)c(N=C(N2)NCC2)c(Cl)cc1 CH$IUPAC: InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) CH$LINK: CAS 4205-90-7 CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022846
AC$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$CHROMATOGRAPHY: RETENTION_TIME 9.200 min AC$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: splash10-001i-0190000000-92cfcd89a5345ef86dc3 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 132 12 12 151 12 12 153 31 31 155 12 12 158 12 12 159 31 31 160 43 43 162 27 27 164 16 16 166 8 8 172 24 24 174 16 16 186 8 8 187 47 47 188 8 8 189 31 31 194 63 63 195 12 12 196 31 31 213 94 94 215 63 63 217 12 12 230 999 999 231 39 39 232 682 682 233 47 47 234 110 110 235 8 8 //

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