Dataset

Hydroquinidine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00429 contains the MS2 mass spectrum of Hydroquinidine with the InChIkey LJOQGZACKSYWCH-LHHVKLHASA-N.

Chemical Info

molecular Image
InChI 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
SMILES CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O
InChI Key LJOQGZACKSYWCH-LHHVKLHASA-N
Molecular Formula C20H26N2O2
Exact Mass 326.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00429
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:30.048218
MetadataModified 2024-01-11T22:26:30.210266
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91503 PubChem
15074648 PubChem: Thomson Pharma
PA166301762 PharmGKB
1435-55-8 ACToR
PD012072 ProbesDrugs
TEKBUI CCDC
SCHEMBL308961 SureChEMBL
HY-B0997 MedChemExpress
8P68XPY4HG FDA SRS
ZINC000003977899 ZINC
889 DrugCentral
DB15300 DrugBank
DTXSID50862110 EPA CompTox Dashboard
CHEMBL531472 ChEMBL
500488 eMolecules
The data in this table is sourced from UniChem at EBI.