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MassBank Record: WA002971

Hydroquinidine; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002971
RECORD_TITLE: Hydroquinidine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-004r-0903000000-d5ba17f36e0185cb8b50
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  117 8 8
  124 20 20
  130 12 12
  136 16 16
  138 12 12
  140 8 8
  145 16 16
  146 63 63
  147 12 12
  156 8 8
  158 200 200
  159 161 161
  160 584 584
  161 67 67
  162 20 20
  168 35 35
  172 16 16
  173 8 8
  174 505 505
  175 55 55
  184 27 27
  185 16 16
  186 12 12
  188 349 349
  189 713 713
  190 149 149
  191 16 16
  198 8 8
  199 12 12
  200 8 8
  202 8 8
  215 8 8
  216 16 16
  217 51 51
  253 8 8
  309 63 63
  310 12 12
  327 999 999
  328 219 219
  329 27 27
//

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