Dataset

3-Acetyl-2,5-dimethylfuran

This MassBank record with Accession MSBNK-Eawag-EQ00063501 contains the MS2 mass spectrum of 3-Acetyl-2,5-dimethylfuran with the InChIkey KBSVBCHYXYXDAG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
SMILES CC1=CC(=C(O1)C)C(=O)C
InChI Key KBSVBCHYXYXDAG-UHFFFAOYSA-N
Molecular Formula C8H10O2
Exact Mass 138.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00063501
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:07:13.271662
MetadataModified 2025-02-09T10:07:13.461036
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1894194 ChEMBL
ZINC000001602945 ZINC
MTBLC167367 Metabolights
167367 ChEBI
DTXSID1030317 EPA CompTox Dashboard
J207.975E Nikkaji
CB8110437 ChemicalBook
46534866 PubChem: Thomson Pharma
10599-70-9 ACToR
798V2T7ZBV FDA SRS
61527 PubChem
496208 eMolecules
20032734 NMRShiftDB
SCHEMBL873084 SureChEMBL
HMDB0029563 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.