MassBank Record: MSBNK-Waters-WA001299
ACCESSION: MSBNK-Waters-WA001299
RECORD_TITLE: Clonidine; 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$NAME: Clonidine
CH$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
//
system version 2.2.6-SNAPSHOT