Dataset

Eupatilin

This MassBank record with Accession MSBNK-BS-BS003605 contains the MS2 mass spectrum of Eupatilin with the InChIkey DRRWBCNQOKKKOL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])OC([H])([H])[H])O[H])[H])[H])OC([H])([H])[H])([H])([H])[H]
InChI Key DRRWBCNQOKKKOL-UHFFFAOYSA-N
Molecular Formula C18H16O7
Exact Mass 344.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:41:30.704831
MetadataModified 2025-02-09T08:50:50.153362
MetadataPublished 2017-12-01
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.