Dataset

Fusaric acid

This MassBank record with Accession MSBNK-AAFC-AC000890 contains the MS2 mass spectrum of Fusaric acid with the InChIkey DGMPVYSXXIOGJY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
SMILES CCCCC1=CN=C(C=C1)C(=O)O
InChI Key DGMPVYSXXIOGJY-UHFFFAOYSA-N
Molecular Formula C10H13NO2
Exact Mass 179.095 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-AAFC-AC000890
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:55.544030
MetadataModified 2024-01-11T09:22:55.705604
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3442 PubChem
20128770 NMRShiftDB
CQV PDBe
513892 eMolecules
CB4689029 ChemicalBook
SCHEMBL178006 SureChEMBL
536-69-6 ACToR
15219650 PubChem: Thomson Pharma
JWJ963070N FDA SRS
PD002714 ProbesDrugs
LSM-3944 LINCS
CHEMBL24510 ChEMBL
C10146 KEGG Ligand
50000439 BindingDB
224590 Brenda
HY-128483 MedChemExpress
5199 ChEBI
MCULE-2488661517 Mcule
WIPXAY CCDC
ZINC000001531682 ZINC
J12.987I Nikkaji
HMDB0252556 Human Metabolome Database
DTXSID5023085 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.