Dataset

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT107100 contains the MS2 mass spectrum of [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid with the InChIkey IERHLVCPSMICTF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
SMILES	C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
InChI Key	IERHLVCPSMICTF-UHFFFAOYSA-N
Molecular Formula	C9H14N3O8P
Exact Mass	323.200 g/mol

Data and Resources

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-...HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT107100
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:44.604330
MetadataModified	2024-01-11T21:06:44.773206
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
30811-80-4	ACToR
7075-11-8	ACToR
63-37-6	ACToR
181445	ChEBI
PD033874	ProbesDrugs
SCHEMBL6115643	SureChEMBL
314	PubChem
29549664	eMolecules
HMDB0243501	Human Metabolome Database
NUJNEL	CCDC
MCULE-5499577546	Mcule
CHEMBL296272	ChEMBL
The data in this table is sourced from UniChem at EBI.