Dataset

CYTOSINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P200201_F638 contains the MS2 mass spectrum of CYTOSINE with the InChIkey OPTASPLRGRRNAP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
SMILES	NC1=CC=NC(=O)N1
InChI Key	OPTASPLRGRRNAP-UHFFFAOYSA-N
Molecular Formula	C4H5N3O
Exact Mass	111.043 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_P200201_F638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:36:18.595627
MetadataModified	2024-01-11T09:36:18.778186
MetadataPublished	2021-12-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
8490	Guide to Pharmacology
ZINC000000895210	ZINC
DTXSID4044456	EPA CompTox Dashboard
CYTOSINE	rxnorm
CYTOSINE	clinicaltrials
HY-I0626	MedChemExpress
16040	Rhea
MTBLC16040	Metabolights
489	Brenda
HMDB0000630	Human Metabolome Database
CB3746093	ChemicalBook
CYT	PDBe
J9.343B	Nikkaji
10016336	NMRShiftDB
CYTSIN	CCDC
MCULE-4426252594	Mcule
20096819	NMRShiftDB
SCHEMBL4059	SureChEMBL
15412737	PubChem: Thomson Pharma
597	PubChem
PD013768	ProbesDrugs
8J337D1HZY	FDA SRS
16918494	PubChem: Thomson Pharma
118511-36-7	ACToR
15297057	PubChem: Thomson Pharma
csn	Recon
C00380	KEGG Ligand
CHEMBL15913	ChEMBL
16040	ChEBI
496404	eMolecules
1971016	eMolecules
7351983	eMolecules
The data in this table is sourced from UniChem at EBI.