Dataset

Aspartic Acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80793 contains the MS mass spectrum of Aspartic Acid with the InChIkey CKLJMWTZIZZHCS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
SMILES	C(C(C(=O)O)N)C(=O)O
InChI Key	CKLJMWTZIZZHCS-UHFFFAOYSA-N
Molecular Formula	C4H7NO4
Exact Mass	133.038 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-BML80793
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:15.096961
MetadataModified	2024-01-11T22:26:15.372745
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
478747	eMolecules
C16433	KEGG Ligand
22660	ChEBI
DLASPA	CCDC
28XF4669EP	FDA SRS
DTXSID30859003	EPA CompTox Dashboard
92996	Brenda
105981	Brenda
CB7233502	ChemicalBook
MTBLC22660	Metabolights
16465	Brenda
137269	Brenda
J1.278E	Nikkaji
10016965	NMRShiftDB
MCULE-9328817309	Mcule
SCHEMBL3230	SureChEMBL
424	PubChem
23443619	PubChem
57397078	PubChem
15321388	PubChem: Thomson Pharma
617-45-8	ACToR
56-84-8	ACToR
PD074298	ProbesDrugs
The data in this table is sourced from UniChem at EBI.