Dataset

Artemisinin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00416 contains the MS2 mass spectrum of Artemisinin with the InChIkey BLUAFEHZUWYNDE-NNWCWBAJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
SMILES O=C(O1)[C@H](C)[C@]([H])(C4)[C@](O2)([C@@]([H])3[C@H](C)C4)[C@]([H])1O[C@@](C)(CC3)O2
InChI Key BLUAFEHZUWYNDE-NNWCWBAJSA-N
Molecular Formula C15H22O5
Exact Mass 282.147 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-Fiocruz-FIO00416
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HY-B0094 MedChemExpress
    229175 Brenda
    20253147 NMRShiftDB
    DTXSID2040652 EPA CompTox Dashboard
    QNGHSU CCDC
    3871 DrugCentral
    J86.051D Nikkaji
    LMPR0103190003 LipidMaps
    229174 Brenda
    68827 PubChem
    50088447 BindingDB
    12013016 PubChem: Drugs of the Future
    CHEMBL269671 ChEMBL
    223316 ChEBI
    C09538 KEGG Ligand
    LSM-6546 LINCS
    Artemisinin Selleck
    14873071 PubChem: Thomson Pharma
    PD012296 ProbesDrugs
    9RMU91N5K2 FDA SRS
    500899 eMolecules
    12642552 eMolecules
    SCHEMBL60304 SureChEMBL
    MCULE-9877817795 Mcule
    PA165111696 PharmGKB
    169885 Brenda
    9954 Guide to Pharmacology
    MTBLC223316 Metabolights
    ZINC000008143788 ZINC
    DB13132 DrugBank
    The data in this table is sourced from UniChem at EBI.