Dataset

Cinchonine

This MassBank record with Accession MSBNK-RIKEN-PR300876 contains the MS2 mass spectrum of Cinchonine with the InChIkey KMPWYEUPVWOPIM-QAMTZSDWSA-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/t13-,14-,18+,19-/m0/s1
SMILES C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O
InChI Key KMPWYEUPVWOPIM-QAMTZSDWSA-N
Molecular Formula C19H22N2O
Exact Mass 294.398 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300876
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:48:42.610685
MetadataModified 2025-02-09T18:28:43.549653
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
90454 PubChem
60032698 NMRShiftDB
14800210 PubChem: Thomson Pharma
V43X79NZCD FDA SRS
14824982 PubChem: Thomson Pharma
PD046021 ProbesDrugs
1012601 eMolecules
30316123 eMolecules
MTBLC27509 Metabolights
ZINC000003881680 ZINC
SCHEMBL158394 SureChEMBL
MCULE-5498373209 Mcule
27509 ChEBI
CHEMBL588619 ChEMBL
CINCHO CCDC
J2.475I Nikkaji
HY-Y0152 MedChemExpress
50370411 BindingDB
29390005 eMolecules
The data in this table is sourced from UniChem at EBI.