Dataset

Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS023202 contains the MS2 mass spectrum of Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid with the InChIkey DGMPVYSXXIOGJY-UHFFFAOYSA-N.

Chemical Info

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	179.219 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS023202
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:27:43.739753
MetadataModified	2025-02-09T19:06:42.428011
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL24510	ChEMBL
C10146	KEGG Ligand
WIPXAY	CCDC
HMDB0252556	Human Metabolome Database
J12.987I	Nikkaji
ZINC000001531682	ZINC
DTXSID5023085	EPA CompTox Dashboard
5199	ChEBI
MCULE-2488661517	Mcule
HY-128483	MedChemExpress
224590	Brenda
50000439	BindingDB
CB4689029	ChemicalBook
513892	eMolecules
CQV	PDBe
20128770	NMRShiftDB
3442	PubChem
PD002714	ProbesDrugs
JWJ963070N	FDA SRS
15219650	PubChem: Thomson Pharma
536-69-6	ACToR
SCHEMBL178006	SureChEMBL
LSM-3944	LINCS
The data in this table is sourced from UniChem at EBI.