Dataset

7-ACETYL-4-UMBELLIFERONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005266 contains the MS mass spectrum of 7-ACETYL-4-UMBELLIFERONE with the InChIkey WZOMQVFUPMLOGT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3
SMILES CC(=O)c(c(O)2)c(O1)c(cc2)C(C)=CC(=O)1
InChI Key WZOMQVFUPMLOGT-UHFFFAOYSA-N
Molecular Formula C12H10O4
Exact Mass 218.058 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-Fac_Eng_Univ_Tokyo-JP005266
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:58:17.068944
MetadataModified 2025-02-09T12:09:09.336517
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2555-29-5 ACToR
16545903 PubChem: Thomson Pharma
487129 eMolecules
0084XV5Z4C FDA SRS
MCULE-5481362994 Mcule
SCHEMBL4383562 SureChEMBL
20039293 NMRShiftDB
CHEMBL1784035 ChEMBL
WOKNUG CCDC
DTXSID30180243 EPA CompTox Dashboard
J187.043B Nikkaji
ZINC000000040588 ZINC
CB7481107 ChemicalBook
5324648 PubChem
The data in this table is sourced from UniChem at EBI.