Dataset

NORVALINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100503_FB57 contains the MS2 mass spectrum of NORVALINE with the InChIkey SNDPXSYFESPGGJ-SCSAIBSYSA-N.

Chemical Info

InChI	InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
SMILES	CCC[C@@H](N)C(O)=O
InChI Key	SNDPXSYFESPGGJ-SCSAIBSYSA-N
Molecular Formula	C5H11NO2
Exact Mass	117.079 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100503_FB57
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:35:26.446461
MetadataModified	2024-01-11T09:35:26.609674
MetadataPublished	2021-12-23

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
16710625	PubChem: Thomson Pharma
93005	Brenda
CB8462680	ChemicalBook
HMDB0013716	Human Metabolome Database
5538	Brenda
ZINC000000391822	ZINC
BERQEU	CCDC
EE0	PDBe
50357223	BindingDB
J9.206A	Nikkaji
253804	Brenda
SCHEMBL197812	SureChEMBL
6950515	PubChem
439575	PubChem
2013-12-9	ACToR
6600-40-4	ACToR
102E6YF9W5	FDA SRS
CHEMBL1916081	ChEMBL
C01799	KEGG Ligand
28804	ChEBI
530043	eMolecules
The data in this table is sourced from UniChem at EBI.