ACCESSION: MSBNK-Waters-WA000285
RECORD_TITLE: Quinidine; 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: 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 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
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  144 71 71
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  307 204 204
  308 51 51
  325 921 921
  326 204 204
  343 8 8
//