Dataset

Arginine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80772 contains the MS mass spectrum of Arginine with the InChIkey ODKSFYDXXFIFQN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
SMILES	C(CC(C(=O)O)N)CN=C(N)N
InChI Key	ODKSFYDXXFIFQN-UHFFFAOYSA-N
Molecular Formula	C6H14N4O2
Exact Mass	174.112 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-BML80772
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:58.620406
MetadataModified	2024-01-11T22:26:58.771903
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
232	PubChem
15195065	PubChem: Thomson Pharma
PD074299	ProbesDrugs
96061478	PubChem: Thomson Pharma
7200-25-1	ACToR
157-06-2	ACToR
74-79-3	ACToR
7004-12-8	ACToR
SCHEMBL1790	SureChEMBL
20096896	NMRShiftDB
ARGIND	CCDC
J1.284J	Nikkaji
MCULE-3125760737	Mcule
59119146	PubChem
5246487	PubChem
HMDB0251511	Human Metabolome Database
10009013	NMRShiftDB
DTXSID8022618	EPA CompTox Dashboard
FL26NTK3EP	FDA SRS
HY-N0454	MedChemExpress
ARGININE, DL-	rxnorm
CB0693158	ChemicalBook
93270	Brenda
MTBLC29016	Metabolights
C02385	KEGG Ligand
29016	ChEBI
10311512	eMolecules
478568	eMolecules
The data in this table is sourced from UniChem at EBI.