Dataset

D-ORNITHINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100602_FB57 contains the MS2 mass spectrum of D-ORNITHINE with the InChIkey AHLPHDHHMVZTML-SCSAIBSYSA-N.

Chemical Info

InChI	InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
SMILES	NCCC[C@@H](N)C(O)=O
InChI Key	AHLPHDHHMVZTML-SCSAIBSYSA-N
Molecular Formula	C5H12N2O2
Exact Mass	132.090 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100602_FB57
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:34:20.808226
MetadataModified	2025-02-08T18:50:08.045185
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60021003	NMRShiftDB
PD050994	ProbesDrugs
15170686	PubChem: Thomson Pharma
33960-23-5	ACToR
2H368YCK0U	FDA SRS
31239565	eMolecules
SCHEMBL43724	SureChEMBL
71082	PubChem
DTXSID30883368	EPA CompTox Dashboard
5960	Brenda
MTBLC16176	Metabolights
2550	Brenda
HMDB0003374	Human Metabolome Database
CB7880919	ChemicalBook
MCULE-2602820298	Mcule
J9.191J	Nikkaji
4682	Guide to Pharmacology
ZINC000001532678	ZINC
CHEMBL103686	ChEMBL
C00515	KEGG Ligand
ORD	PDBe
16176	ChEBI
The data in this table is sourced from UniChem at EBI.