ACCESSION: MSBNK-Waters-WA002970
RECORD_TITLE: Hydroquinidine; 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$NAME: Hydroquinidine
CH$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 60 V

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

PK$SPLASH: splash10-03mj-0901000000-81613175ca3147a113a9
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  115 12 12
  116 12 12
  117 278 278
  118 212 212
  119 20 20
  124 39 39
  126 27 27
  129 27 27
  130 188 188
  131 35 35
  132 12 12
  133 8 8
  134 12 12
  136 51 51
  137 8 8
  138 51 51
  139 8 8
  140 31 31
  141 8 8
  143 12 12
  144 20 20
  145 212 212
  146 693 693
  147 106 106
  148 20 20
  150 8 8
  154 12 12
  155 8 8
  156 27 27
  157 24 24
  158 208 208
  159 227 227
  160 999 999
  161 114 114
  162 47 47
  167 8 8
  168 90 90
  169 16 16
  170 12 12
  172 74 74
  173 63 63
  174 678 678
  175 74 74
  176 12 12
  182 8 8
  183 12 12
  184 82 82
  185 24 24
  186 82 82
  187 16 16
  188 360 360
  189 157 157
  190 55 55
  196 8 8
  197 8 8
  198 39 39
  199 20 20
  200 16 16
  202 12 12
  210 12 12
  213 8 8
  215 8 8
  226 16 16
  227 31 31
  228 8 8
  253 39 39
  254 12 12
  266 16 16
  267 8 8
  280 20 20
  281 39 39
  282 8 8
  299 8 8
  309 161 161
  310 35 35
  327 572 572
  328 129 129
  329 12 12
//