Dataset

Stavudine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002176 contains the MS mass spectrum of Stavudine with the InChIkey XNKLLVCARDGLGL-JGVFFNPUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
SMILES OCC(C=2)OC(C2)N(C=1)C(=O)NC(=O)C(C)1
InChI Key XNKLLVCARDGLGL-JGVFFNPUSA-N
Molecular Formula C10H12N2O4
Exact Mass 224.080 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-Waters-WA002176
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00649 DrugBank
    C07312 KEGG Ligand
    CHEMBL991 ChEMBL
    SAM001246729 NIH Clinical Collection
    SAM002589948 NIH Clinical Collection
    12014136 PubChem: Drugs of the Future
    STAVUDINE DailyMed
    YACTEC CCDC
    50013111 BindingDB
    ZERIT rxnorm
    SANILVUDINE clinicaltrials
    STAVUDINE clinicaltrials
    ZERIT clinicaltrials
    HY-B0116 MedChemExpress
    MCULE-5741755105 Mcule
    DTXSID1023819 EPA CompTox Dashboard
    ZINC000000137884 ZINC
    J83.276F Nikkaji
    STAVUDINE rxnorm
    2478 DrugCentral
    CB4450928 ChemicalBook
    stavudine DailyMed
    HMDB0014787 Human Metabolome Database
    PA451494 PharmGKB
    11762 Brenda
    128098 Brenda
    28913 Brenda
    156695 Brenda
    8488 Brenda
    146954 Brenda
    MCULE-9252477726 Mcule
    18283 PubChem
    14822772 PubChem: Thomson Pharma
    14749176 PubChem: Thomson Pharma
    PD001676 ProbesDrugs
    63581 ChEBI
    LSM-5983 LINCS
    3056-17-5 ACToR
    132425-31-1 ACToR
    SCHEMBL38661 SureChEMBL
    BO9LE4QFZF FDA SRS
    739264 eMolecules
    536927 eMolecules
    The data in this table is sourced from UniChem at EBI.