MassBank Record: WA000285



 Quinidine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA000285
RECORD_TITLE: Quinidine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Quinidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H24N2O2 CH$EXACT_MASS: 324.18378 CH$SMILES: COc(c4)cc(c3c4)c(ccn3)C(O)C([H])(C1)N(C2)CC(C=C)C(C2)1 CH$IUPAC: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 CH$LINK: CAS 56-54-2 CH$LINK: INCHIKEY LOUPRKONTZGTKE-LHHVKLHASA-N
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 11.300 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-024i-0921000000-8b3f857f02cc9e7f57da PK$NUM_PEAK: 142 PK$PEAK: m/z int. rel.int. 103 20 20 105 141 141 106 184 184 107 118 118 108 278 278 109 51 51 110 161 161 115 63 63 116 12 12 117 259 259 118 133 133 119 47 47 120 94 94 121 39 39 122 114 114 123 8 8 124 55 55 125 16 16 129 16 16 130 39 39 131 74 74 132 47 47 133 16 16 134 239 239 135 51 51 136 63 63 138 35 35 141 8 8 142 27 27 143 106 106 144 71 71 145 204 204 146 82 82 147 16 16 148 24 24 154 94 94 155 121 121 156 55 55 157 35 35 158 133 133 159 125 125 160 999 999 161 110 110 162 39 39 163 12 12 166 145 145 167 110 110 168 24 24 169 133 133 170 102 102 171 59 59 172 744 744 173 349 349 174 329 329 175 35 35 176 16 16 180 31 31 181 47 47 182 78 78 183 129 129 184 525 525 185 110 110 186 376 376 187 59 59 188 102 102 189 118 118 190 24 24 192 16 16 193 24 24 194 24 24 195 51 51 196 98 98 197 78 78 198 282 282 199 133 133 200 86 86 201 24 24 202 74 74 203 16 16 204 35 35 205 20 20 206 24 24 207 27 27 208 27 27 209 35 35 210 168 168 211 94 94 212 71 71 213 35 35 214 55 55 215 12 12 216 16 16 217 8 8 218 24 24 219 20 20 220 31 31 221 51 51 222 51 51 223 31 31 224 94 94 225 47 47 226 71 71 227 27 27 232 16 16 233 27 27 234 47 47 235 31 31 236 55 55 237 47 47 238 43 43 239 20 20 240 16 16 242 8 8 246 8 8 247 20 20 248 39 39 249 39 39 250 39 39 251 125 125 252 71 71 253 200 200 254 39 39 262 20 20 263 24 24 264 102 102 265 59 59 266 16 16 275 8 8 276 12 12 277 20 20 278 35 35 279 78 78 282 8 8 291 8 8 292 8 8 296 8 8 297 8 8 307 204 204 308 51 51 325 921 921 326 204 204 343 8 8 //