ACCESSION: MSBNK-Waters-WA002969
RECORD_TITLE: Hydroquinidine; 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$NAME: Hydroquinidine
CH$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 75 V

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

PK$SPLASH: splash10-014j-0900000000-419f502507e773b84496
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  115 20 20
  116 51 51
  117 999 999
  118 494 494
  119 47 47
  122 8 8
  124 24 24
  126 24 24
  128 31 31
  129 47 47
  130 270 270
  131 39 39
  132 16 16
  133 12 12
  134 24 24
  136 35 35
  138 47 47
  140 16 16
  141 12 12
  142 12 12
  143 16 16
  144 27 27
  145 294 294
  146 568 568
  147 82 82
  148 8 8
  154 20 20
  155 20 20
  156 47 47
  157 20 20
  158 67 67
  159 67 67
  160 482 482
  161 55 55
  162 24 24
  167 24 24
  168 35 35
  169 12 12
  170 12 12
  171 8 8
  172 106 106
  173 59 59
  174 157 157
  175 16 16
  182 8 8
  183 16 16
  184 59 59
  185 16 16
  186 86 86
  187 16 16
  188 94 94
  189 39 39
  190 8 8
  196 12 12
  197 8 8
  198 47 47
  199 16 16
  200 12 12
  202 16 16
  210 16 16
  211 8 8
  212 8 8
  213 8 8
  214 8 8
  224 8 8
  225 8 8
  226 12 12
  227 27 27
  238 8 8
  251 12 12
  252 8 8
  253 20 20
  266 16 16
  280 8 8
  281 16 16
  309 51 51
  310 12 12
  327 125 125
  328 27 27
//