Dataset

Glutamic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81310 contains the MS mass spectrum of Glutamic acid with the InChIkey WHUUTDBJXJRKMK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
SMILES	C(CC(=O)O)C(C(=O)O)N
InChI Key	WHUUTDBJXJRKMK-UHFFFAOYSA-N
Molecular Formula	C5H9NO4
Exact Mass	147.053 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81310
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:27:42.952876
MetadataModified	2024-01-11T22:27:43.114034
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
611	PubChem
57397101	PubChem
PD074297	ProbesDrugs
15146799	PubChem: Thomson Pharma
19285-83-7	ACToR
617-65-2	ACToR
56-86-0	ACToR
6893-26-1	ACToR
CADVUY	CCDC
J5.177B	Nikkaji
SCHEMBL2201	SureChEMBL
10016967	NMRShiftDB
MCULE-4203507491	Mcule
50002371	BindingDB
DTXSID0046987	EPA CompTox Dashboard
61LJO5I15S	FDA SRS
HY-W041895	MedChemExpress
CB5116317	ChemicalBook
HMDB0060475	Human Metabolome Database
96319	Brenda
56960	Brenda
48295	Brenda
MTBLC18237	Metabolights
C00302	KEGG Ligand
18237	ChEBI
498263	eMolecules
The data in this table is sourced from UniChem at EBI.