Dataset

Citrulline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80963 contains the MS mass spectrum of Citrulline with the InChIkey RHGKLRLOHDJJDR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
SMILES	C(CC(C(=O)O)N)CNC(=O)N
InChI Key	RHGKLRLOHDJJDR-UHFFFAOYSA-N
Molecular Formula	C6H13N3O3
Exact Mass	175.096 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-BML80963
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:25:57.075749
MetadataModified	2024-01-11T22:25:57.282215
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL187855	ChEMBL
18211	ChEBI
884088	eMolecules
16935971	PubChem: Thomson Pharma
145802	Brenda
833	PubChem
PD001552	ProbesDrugs
372-75-8	ACToR
25244873	PubChem
J3.054.119G	Nikkaji
MCULE-9892421890	Mcule
HMDB0250742	Human Metabolome Database
FIFGOQ	CCDC
SCHEMBL20587	SureChEMBL
10009014	NMRShiftDB
HY-W016734	MedChemExpress
1OYO2NV4NM	FDA SRS
CB7478532	ChemicalBook
MTBLC18211	Metabolights
93273	Brenda
1464	Brenda
LSM-45926	LINCS
The data in this table is sourced from UniChem at EBI.