Dataset

1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS023407 contains the MS2 mass spectrum of 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid with the InChIkey JFCQEDHGNNZCLN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
SMILES	C(CC(=O)O)CC(=O)O
InChI Key	JFCQEDHGNNZCLN-UHFFFAOYSA-N
Molecular Formula	C5H8O4
Exact Mass	132.115 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-PS023407
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:14:45.178478
MetadataModified	2025-02-09T19:28:16.896563
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
515060	eMolecules
23322899	PubChem
743	PubChem
PD006818	ProbesDrugs
H849F7N00B	FDA SRS
15213255	PubChem: Thomson Pharma
110-94-1	ACToR
68937-69-9	ACToR
68603-87-2	ACToR
51734	Brenda
3471	Brenda
545	Brenda
109405	Brenda
94669	Brenda
HMDB0000661	Human Metabolome Database
CB7852828	ChemicalBook
MTBLC17859	Metabolights
107010	Brenda
10016798	NMRShiftDB
MCULE-4286022994	Mcule
SCHEMBL7414	SureChEMBL
ZINC000000388706	ZINC
HY-W008820	MedChemExpress
DTXSID2021654	EPA CompTox Dashboard
GLUTARIC ACID	rxnorm
GLURAC	CCDC
50485550	BindingDB
J40.077G	Nikkaji
CHEMBL1162495	ChEMBL
17859	ChEBI
GUA	PDBe
C00489	KEGG Ligand
DB03553	DrugBank
The data in this table is sourced from UniChem at EBI.