Dataset

Oseltamivir

This MassBank record with Accession MSBNK-Athens_Univ-AU206804 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-AU206804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:24.397265
MetadataModified 2024-01-11T09:48:24.548771
MetadataPublished 2015-12-04
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
SCHEMBL32035 SureChEMBL
MCULE-1441617774 Mcule
oseltamivir DailyMed
148611 Brenda
208337 Brenda
CB1472402 ChemicalBook
2796 Brenda
J871.765F Nikkaji
HMDB0014343 Human Metabolome Database
208336 Brenda
5025 BindingDB
ZINC000003929508 ZINC
2001 DrugCentral
DTXSID9044291 EPA CompTox Dashboard
OSELTAMIVIR clinicaltrials
OSELTAMIVIR PHOSPHATE clinicaltrials
GS4104 clinicaltrials
GS-4104 clinicaltrials
GS 4104 clinicaltrials
OSELTAMIVIR DailyMed
TAMIFLU rxnorm
OSELTAMIVIR PHOSPHATE rxnorm
OSELTAMIVIR CARBOXYLATE rxnorm
OSELTAMIVIR rxnorm
RO-64-0796 clinicaltrials
RO64-0796 clinicaltrials
TAMIFLU clinicaltrials
DB00198 DrugBank
CHEMBL1229 ChEMBL
7798 ChEBI
C08092 KEGG Ligand
6843587 eMolecules
The data in this table is sourced from UniChem at EBI.