Dataset

Oseltamivir-carboxylate

This MassBank record with Accession MSBNK-Athens_Univ-AU206704 contains the MS2 mass spectrum of Oseltamivir-carboxylate with the InChIkey NENPYTRHICXVCS-YNEHKIRRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
InChI Key NENPYTRHICXVCS-YNEHKIRRSA-N
Molecular Formula C14H24N2O4
Exact Mass 284.174 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-Athens_Univ-AU206704
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:08.266419
MetadataModified 2024-01-11T09:42:08.405694
MetadataPublished 2015-12-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL182903 SureChEMBL
73139 ChEBI
15222406 PubChem: Thomson Pharma
44310478 PubChem
14848889 PubChem: Thomson Pharma
PD012877 ProbesDrugs
187227-45-8 ACToR
K6106LV5Q8 FDA SRS
MCULE-4540641587 Mcule
CB6501589 ChemicalBook
6334 Brenda
LSM-45567 LINCS
208334 Brenda
MTBLC73139 Metabolights
208335 Brenda
449381 PubChem
DB02600 DrugBank
G39 PDBe
CHEMBL674 ChEMBL
12015074 PubChem: Drugs of the Future
ZINC000003929509 ZINC
DTXSID50171996 EPA CompTox Dashboard
J820.936G Nikkaji
4994 BindingDB
HY-13318 MedChemExpress
The data in this table is sourced from UniChem at EBI.