ACCESSION: MSBNK-Waters-WA000286
RECORD_TITLE: Quinidine; LC-ESI-Q; MS; POS; 60 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-01t9-0934000000-c04435ac3f7524048987
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  105 35 35
  106 43 43
  107 55 55
  108 121 121
  109 24 24
  110 255 255
  111 20 20
  117 31 31
  118 16 16
  119 12 12
  120 27 27
  121 16 16
  122 82 82
  124 51 51
  130 8 8
  131 8 8
  132 12 12
  134 121 121
  135 39 39
  136 47 47
  138 39 39
  143 8 8
  144 8 8
  145 27 27
  146 24 24
  148 16 16
  154 8 8
  155 16 16
  156 8 8
  158 16 16
  159 16 16
  160 478 478
  161 55 55
  162 31 31
  163 8 8
  166 125 125
  167 31 31
  169 12 12
  170 16 16
  172 204 204
  173 121 121
  174 121 121
  175 12 12
  176 8 8
  180 8 8
  182 12 12
  183 12 12
  184 321 321
  185 63 63
  186 145 145
  187 20 20
  188 31 31
  189 39 39
  190 12 12
  195 8 8
  196 31 31
  197 20 20
  198 165 165
  199 67 67
  200 31 31
  201 8 8
  202 35 35
  204 8 8
  210 55 55
  211 27 27
  212 27 27
  213 24 24
  214 16 16
  215 8 8
  218 8 8
  221 12 12
  222 12 12
  223 8 8
  224 35 35
  225 20 20
  226 39 39
  227 35 35
  233 8 8
  234 16 16
  235 8 8
  236 20 20
  237 12 12
  238 16 16
  239 16 16
  240 12 12
  247 8 8
  248 12 12
  249 16 16
  250 20 20
  251 55 55
  252 47 47
  253 196 196
  254 43 43
  262 8 8
  263 8 8
  264 98 98
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  266 20 20
  276 12 12
  277 8 8
  278 31 31
  279 94 94
  280 12 12
  282 16 16
  296 8 8
  297 12 12
  307 274 274
  308 59 59
  325 999 999
  326 227 227
//