Dataset

Quinidine anhydrous

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100501_F638 contains the MS2 mass spectrum of Quinidine anhydrous with the InChIkey LOUPRKONTZGTKE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
InChI Key LOUPRKONTZGTKE-UHFFFAOYSA-N
Molecular Formula C20H24N2O2
Exact Mass 324.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100501_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:54.066012
MetadataModified 2024-01-11T09:31:54.230739
MetadataPublished 2021-12-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL15088 ChEMBL
J1.056.302J Nikkaji
HMDB0242153 Human Metabolome Database
50017704 BindingDB
QUINDE CCDC
14894998 PubChem: Thomson Pharma
130-95-0 ACToR
56-54-2 ACToR
PD055477 ProbesDrugs
LSM-5109 LINCS
SCHEMBL25528 SureChEMBL
929944 eMolecules
1065 PubChem
10016314 NMRShiftDB
MCULE-1532027186 Mcule
94416 ChEBI
MTBLC94416 Metabolights
30157344 eMolecules
The data in this table is sourced from UniChem at EBI.