Dataset

(+)-Cinchonine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00067 contains the MS2 mass spectrum of (+)-Cinchonine with the InChIkey KMPWYEUPVWOPIM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2
SMILES C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
InChI Key KMPWYEUPVWOPIM-UHFFFAOYSA-N
Molecular Formula C19H22N2O
Exact Mass 294.173 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-BML00067
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:22:25.517058
MetadataModified 2024-01-11T22:22:25.665694
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL15134 ChEMBL
J3.330.896E Nikkaji
CINCHO CCDC
50239983 BindingDB
HMDB0030282 Human Metabolome Database
884921 eMolecules
183479 ChEBI
2757 PubChem
PD014391 ProbesDrugs
14918334 PubChem: Thomson Pharma
185122-81-0 ACToR
118-10-5 ACToR
485-71-2 ACToR
60032716 NMRShiftDB
SCHEMBL732494 SureChEMBL
MCULE-3323633075 Mcule
The data in this table is sourced from UniChem at EBI.