MassBank Record: WA000968



 Chloroquine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000968
RECORD_TITLE: Chloroquine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Chloroquine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H26ClN3 CH$EXACT_MASS: 319.18153 CH$SMILES: CCN(CC)CCCC(C)Nc(c2)c(c1)c(nc2)cc(Cl)c1 CH$IUPAC: InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) CH$LINK: CAS 54-05-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 9.800 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0394000000-811a6863cd54caddde50 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 114 35 35 142 357 357 143 24 24 161 16 16 162 8 8 164 31 31 166 12 12 178 8 8 179 94 94 180 8 8 181 35 35 191 12 12 205 24 24 207 8 8 247 999 999 248 106 106 249 349 349 250 35 35 320 529 529 321 78 78 322 192 192 323 27 27 //