Dataset

ALLANTOIN

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008299 contains the MS mass spectrum of ALLANTOIN with the InChIkey POJWUDADGALRAB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
SMILES	NC(=O)NC(N1)C(=O)NC(=O)1
InChI Key	POJWUDADGALRAB-UHFFFAOYSA-N
Molecular Formula	C4H6N4O3
Exact Mass	158.044 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008299
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:59.596272
MetadataModified	2024-01-11T15:56:59.765390
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C01551	KEGG Ligand
CHEMBL593429	ChEMBL
15676	ChEBI
476195	eMolecules
204	PubChem
PD001580	ProbesDrugs
LSM-5190	LINCS
alltn	Recon
14747998	PubChem: Thomson Pharma
37305-69-4	ACToR
SCHEMBL3208	SureChEMBL
97-59-6	ACToR
MCULE-1008326286	Mcule
10016341	NMRShiftDB
J3.978K	Nikkaji
DTXSID3020043	EPA CompTox Dashboard
4268	DrugCentral
ALLANTOIN	DailyMed
ALLANTOIN	rxnorm
344S277G0Z	FDA SRS
ALLANTOIN	clinicaltrials
CB51177281	ChemicalBook
SD 101	clinicaltrials
HY-N0543	MedChemExpress
ALWEXTIN	clinicaltrials
15676	Rhea
allantoin	DailyMed
MTBLC15676	Metabolights
CB3215461	ChemicalBook
DB11100	DrugBank
HMDB0000462	Human Metabolome Database
143704	Brenda
3983	Brenda
The data in this table is sourced from UniChem at EBI.