MassBank Record: WA000284



 Quinidine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000284
RECORD_TITLE: Quinidine; LC-ESI-Q; MS; POS; 90 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$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-02or-0910000000-7b9fcd628c4421016f3b PK$NUM_PEAK: 144 PK$PEAK: m/z int. rel.int. 102 20 20 103 86 86 104 20 20 105 192 192 106 290 290 107 106 106 108 231 231 109 27 27 114 8 8 115 290 290 116 63 63 117 854 854 118 388 388 119 67 67 120 118 118 121 43 43 122 59 59 124 24 24 125 8 8 128 20 20 129 125 125 130 106 106 131 176 176 132 78 78 133 31 31 134 180 180 135 27 27 136 55 55 138 8 8 141 78 78 142 133 133 143 368 368 144 188 188 145 451 451 146 223 223 147 31 31 148 20 20 152 12 12 153 16 16 154 341 341 155 274 274 156 165 165 157 157 157 158 353 353 159 255 255 160 987 987 161 114 114 162 24 24 163 20 20 166 137 137 167 227 227 168 94 94 169 262 262 170 235 235 171 106 106 172 960 960 173 325 325 174 400 400 175 51 51 176 24 24 179 12 12 180 86 86 181 110 110 182 168 168 183 239 239 184 368 368 185 94 94 186 372 372 187 43 43 188 125 125 189 86 86 190 16 16 191 20 20 192 35 35 193 59 59 194 63 63 195 67 67 196 133 133 197 114 114 198 192 192 199 94 94 200 106 106 201 20 20 202 74 74 203 8 8 204 59 59 205 35 35 206 55 55 207 55 55 208 63 63 209 51 51 210 161 161 211 94 94 212 67 67 213 24 24 214 55 55 215 8 8 216 16 16 217 16 16 218 43 43 219 39 39 220 55 55 221 86 86 222 63 63 223 31 31 224 82 82 225 35 35 226 39 39 232 24 24 233 27 27 234 71 71 235 39 39 236 35 35 237 43 43 238 31 31 239 20 20 240 12 12 246 8 8 247 20 20 248 55 55 249 27 27 250 39 39 251 59 59 252 31 31 253 71 71 254 20 20 262 24 24 263 27 27 264 63 63 265 27 27 275 8 8 276 8 8 277 20 20 278 16 16 279 31 31 291 8 8 306 8 8 307 86 86 308 16 16 325 999 999 326 200 200 343 12 12 361 8 8 366 8 8 //