Dataset

Oxamniquine

This MassBank record with Accession MSBNK-Fiocruz-FIO00341 contains the MS2 mass spectrum of Oxamniquine with the InChIkey XCGYUJZMCCFSRP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3
SMILES CC(C)NCC(C2)Nc(c1)c(C2)cc(CO)c([N+1]([O-1])=O)1
InChI Key XCGYUJZMCCFSRP-UHFFFAOYSA-N
Molecular Formula C14H21N3O3
Exact Mass 279.158 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-FIO00341
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:42:46.527491
MetadataModified 2024-01-11T16:42:46.704258
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C07341 KEGG Ligand
22395920 PubChem: Drugs of the Future
DB01096 DrugBank
CHEMBL847 ChEMBL
35864027 eMolecules
4612 PubChem
PD009809 ProbesDrugs
LSM-6378 LINCS
14799596 PubChem: Thomson Pharma
PA164748782 PharmGKB
21738-42-1 ACToR
78416 ChEBI
SCHEMBL44921 SureChEMBL
HMDB0015228 Human Metabolome Database
DTXSID3023398 EPA CompTox Dashboard
7GIJ138H3K FDA SRS
CB2505817 ChemicalBook
0O977R722D FDA SRS
00BCY677OT FDA SRS
HY-10416 MedChemExpress
OXAMNIQUINE rxnorm
2009 DrugCentral
The data in this table is sourced from UniChem at EBI.