Dataset

Artemisinin; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA001448 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 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA001448
Version
Author
Maintainer
Language
MetadataPublished 2019-07-31
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
    DB13132 drugbank
    CHEBI:223316 chebi
    LMPR0103190003 lipidmaps
    CHEMBL269671 chembl
    60304 surechembl
    68827 pubchem
    9RMU91N5K2 fdasrs
    QNGHSU CCDC
    169885 brenda
    229174 brenda
    229175 brenda
    DTXSID2040652 comptox
    DTXSID501045125 comptox
    Molport-006-069-257 molport
    3871 drugcentral
    50088447 bindingdb
    The data in this table is sourced from UniChem at EBI.