MassBank Record: WA000966



 Chloroquine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000966
RECORD_TITLE: Chloroquine; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-002e-0950000000-849a8e9960219d54f689 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 100 12 12 112 39 39 114 8 8 116 12 12 117 24 24 128 20 20 129 8 8 140 16 16 142 443 443 143 47 47 144 55 55 151 24 24 153 8 8 155 24 24 156 74 74 161 16 16 162 16 16 163 27 27 164 121 121 165 12 12 166 39 39 169 8 8 177 12 12 178 12 12 179 686 686 180 51 51 181 235 235 182 12 12 191 380 380 192 47 47 193 133 133 194 12 12 203 16 16 204 8 8 205 149 149 206 24 24 207 43 43 208 8 8 219 8 8 247 999 999 248 90 90 249 345 345 250 39 39 320 24 24 322 8 8 //