Dataset

Emtricitabine; LC-ESI-QTOF; MS2; 20 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107206 contains the MS2 mass spectrum of Emtricitabine with the InChIkey XQSPYNMVSIKCOC-NTSWFWBYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
SMILES NC1=NC(=O)N(C=C1F)[C@@H]2CS[C@H](CO)O2
InChI Key XQSPYNMVSIKCOC-NTSWFWBYSA-N
Molecular Formula C8H10FN3O3S
Exact Mass 247.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107206
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    BW-524W91 clinicaltrials
    COVIRACIL clinicaltrials
    EMTRIVA clinicaltrials
    HY-17427 MedChemExpress
    ULS8902U4O FDA SRS
    MCULE-7141046266 Mcule
    DTXSID0040129 EPA CompTox Dashboard
    1003 DrugCentral
    J523.685A Nikkaji
    HAKJIM CCDC
    11244 Guide to Pharmacology
    524-W-91 clinicaltrials
    524W91 clinicaltrials
    CB71378240 ChemicalBook
    EMTRICITABINE clinicaltrials
    BIKTARVY rxnorm
    EMTRIVA rxnorm
    EMTRICITABINE rxnorm
    EMTRICITABINE DailyMed
    12014747 PubChem: Drugs of the Future
    50107843 BindingDB
    C12599 KEGG Ligand
    CHEMBL885 ChEMBL
    ETV PDBe
    DB00879 DrugBank
    ZINC000003629271 ZINC
    CB5266199 ChemicalBook
    18182 Brenda
    135620 Brenda
    HMDB0015017 Human Metabolome Database
    PA10069 PharmGKB
    LSM-45730 LINCS
    emtricitabine DailyMed
    31536 ChEBI
    PD009667 ProbesDrugs
    14847619 PubChem: Thomson Pharma
    143491-54-7 ACToR
    143491-57-0 ACToR
    SCHEMBL39708 SureChEMBL
    60877 PubChem
    14749730 PubChem: Thomson Pharma
    G70B4ETF4S FDA SRS
    6719178 eMolecules
    The data in this table is sourced from UniChem at EBI.