Dataset

Artemisinin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA01732 contains the MS2 mass spectrum of Artemisinin with the InChIkey BLUAFEHZUWYNDE-JNZKJBQJSA-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]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CCC1[C@@]24OO3
InChI Key BLUAFEHZUWYNDE-JNZKJBQJSA-N
Molecular Formula C15H22O5
Exact Mass 282.340 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-RIKEN_NPDepo-NGA01732
Version
Author
Maintainer
Language
MetadataPublished 2018-04-04
Related Molecule
  • (1R,4S,5R,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
    49796325 pubchem
    DTXSID901045127 comptox
    The data in this table is sourced from UniChem at EBI.