ACCESSION: MSBNK-Waters-WA002968
RECORD_TITLE: Hydroquinidine; 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$NAME: Hydroquinidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆N₂O₂
CH$EXACT_MASS: 326.19943
CH$SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O
CH$IUPAC: InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1
CH$LINK: CAS 1435-55-8
CH$LINK: INCHIKEY LJOQGZACKSYWCH-LHHVKLHASA-N
CH$LINK: COMPTOX DTXSID50862110
CH$LINK: PUBCHEM CID:91503

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 11.190 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$SPLASH: splash10-014i-0900000000-1f2719df94b64249efb6
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  115 20 20
  116 35 35
  117 999 999
  118 298 298
  119 31 31
  124 8 8
  126 8 8
  128 35 35
  129 35 35
  130 141 141
  131 24 24
  132 8 8
  133 8 8
  134 8 8
  136 8 8
  138 8 8
  141 8 8
  142 16 16
  143 20 20
  144 20 20
  145 114 114
  146 141 141
  147 16 16
  154 24 24
  155 24 24
  156 20 20
  157 12 12
  158 35 35
  159 16 16
  160 137 137
  161 12 12
  162 8 8
  167 24 24
  168 12 12
  169 16 16
  170 12 12
  171 8 8
  172 74 74
  173 24 24
  174 39 39
  182 8 8
  183 12 12
  184 24 24
  186 39 39
  188 16 16
  189 12 12
  196 8 8
  197 8 8
  198 24 24
  199 12 12
  200 8 8
  202 8 8
  210 12 12
  212 8 8
  227 8 8
  251 12 12
  309 8 8
  327 31 31
  328 8 8
//