ACCESSION: MSBNK-Waters-WA000284
RECORD_TITLE: Quinidine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
CH$LINK: COMPTOX DTXSID4023549

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
//