Dataset

DL-beta-Aminobutyric acid, DL-3-Aminobutyric acid, (3S)-3-aminobutanoic acid, BABA, 3-Aminobutanoic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT107620 contains the MS2 mass spectrum of DL-beta-Aminobutyric acid, DL-3-Aminobutyric acid, (3S)-3-aminobutanoic acid, BABA, 3-Aminobutanoic acid with the InChIkey OQEBBZSWEGYTPG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
SMILES	CC(CC(=O)O)N
InChI Key	OQEBBZSWEGYTPG-UHFFFAOYSA-N
Molecular Formula	C4H9NO2
Exact Mass	103.121 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-PT107620
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:39.192087
MetadataModified	2024-01-11T21:07:39.371114
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
25201443	PubChem
15461803	PubChem: Thomson Pharma
10932	PubChem
PD158858	ProbesDrugs
CHEMBL1995111	ChEMBL
541-48-0	ACToR
167222-96-0	ACToR
476621	eMolecules
CB61119057	ChemicalBook
207368	Brenda
93254	Brenda
44086	Brenda
91367	Brenda
43289	Brenda
29964	Brenda
HMDB0031654	Human Metabolome Database
MTBLC37081	Metabolights
SCHEMBL44574	SureChEMBL
MCULE-7818257350	Mcule
37081	ChEBI
CB7164983	ChemicalBook
CB4164982	ChemicalBook
99683	Brenda
4282SA5CTS	FDA SRS
MTBLC150018	Metabolights
DTXSID4040975	EPA CompTox Dashboard
J2.640I	Nikkaji
150018	ChEBI
150018	Rhea
The data in this table is sourced from UniChem at EBI.