Dataset

Cinchonine

This MassBank record with Accession MSBNK-Fiocruz-FIO00481 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](C3)[C@@H](C4)C[C@@]([H])(N(C4)3)[C@@H](O)c(c1)c(c2)c(ccc2)nc1
InChI Key KMPWYEUPVWOPIM-QAMTZSDWSA-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00481
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:42:48.292354
MetadataModified 2024-01-11T16:42:48.502501
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000003881680 ZINC
HY-Y0152 MedChemExpress
50370411 BindingDB
MTBLC27509 Metabolights
29390005 eMolecules
90454 PubChem
60032698 NMRShiftDB
14800210 PubChem: Thomson Pharma
V43X79NZCD FDA SRS
14824982 PubChem: Thomson Pharma
PD046021 ProbesDrugs
J2.475I Nikkaji
MCULE-5498373209 Mcule
SCHEMBL158394 SureChEMBL
CINCHO CCDC
CHEMBL588619 ChEMBL
27509 ChEBI
1012601 eMolecules
30316123 eMolecules
The data in this table is sourced from UniChem at EBI.