Dataset

Oseltamivir

This MassBank record with Accession MSBNK-Athens_Univ-AU206805 contains the MS2 mass spectrum of Oseltamivir with the InChIkey VSZGPKBBMSAYNT-RRFJBIMHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
InChI Key VSZGPKBBMSAYNT-RRFJBIMHSA-N
Molecular Formula C16H28N2O4
Exact Mass 312.205 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-AU206805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:12:48.025205
MetadataModified 2025-02-08T19:01:57.576721
MetadataPublished 2015-12-04
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
65028 PubChem
70053790 NMRShiftDB
PD010174 ProbesDrugs
20O93L6F9H FDA SRS
14898934 PubChem: Thomson Pharma
PA450721 PharmGKB
14825762 PubChem: Thomson Pharma
196618-13-0 ACToR
6843587 eMolecules
SCHEMBL32035 SureChEMBL
MCULE-1441617774 Mcule
2796 Brenda
oseltamivir DailyMed
208337 Brenda
ZINC000003929508 ZINC
148611 Brenda
DB00198 DrugBank
CHEMBL1229 ChEMBL
7798 ChEBI
C08092 KEGG Ligand
CB1472402 ChemicalBook
208336 Brenda
HMDB0014343 Human Metabolome Database
J871.765F Nikkaji
RO-64-0796 clinicaltrials
GS 4104 clinicaltrials
GS-4104 clinicaltrials
GS4104 clinicaltrials
OSELTAMIVIR clinicaltrials
OSELTAMIVIR PHOSPHATE clinicaltrials
TAMIFLU clinicaltrials
DTXSID9044291 EPA CompTox Dashboard
2001 DrugCentral
5025 BindingDB
OSELTAMIVIR DailyMed
OSELTAMIVIR PHOSPHATE rxnorm
TAMIFLU rxnorm
OSELTAMIVIR CARBOXYLATE rxnorm
OSELTAMIVIR rxnorm
RO64-0796 clinicaltrials
The data in this table is sourced from UniChem at EBI.