Dataset

5-METHYLCYTOSINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P200101_EF88 contains the MS2 mass spectrum of 5-METHYLCYTOSINE with the InChIkey LRSASMSXMSNRBT-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
SMILES	CC1=C(N)NC(=O)N=C1
InChI Key	LRSASMSXMSNRBT-UHFFFAOYSA-N
Molecular Formula	C5H7N3O
Exact Mass	125.059 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_P200101_EF88
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:31:18.635934
MetadataModified	2024-01-11T09:31:18.809844
MetadataPublished	2021-12-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
27551	ChEBI
C02376	KEGG Ligand
17405465	eMolecules
883847	eMolecules
65040	PubChem
SCHEMBL22008	SureChEMBL
15218922	PubChem: Thomson Pharma
16165904	PubChem: Thomson Pharma
137281341	PubChem: Thomson Pharma
6R795CQT4H	FDA SRS
17E	PDBe
554-01-8	ACToR
60021740	NMRShiftDB
PD123960	ProbesDrugs
J9.416A	Nikkaji
MCULE-3789550079	Mcule
ZINC000000394712	ZINC
DTXSID50203948	EPA CompTox Dashboard
MECYTS	CCDC
HY-W008091	MedChemExpress
CB5154906	ChemicalBook
27551	Rhea
125211	Brenda
HMDB0002894	Human Metabolome Database
MTBLC27551	Metabolights
6461	Brenda
The data in this table is sourced from UniChem at EBI.