Dataset

2'-Deoxycytidine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80258 contains the MS mass spectrum of 2'-Deoxycytidine with the InChIkey CKTSBUTUHBMZGZ-SHYZEUOFSA-N.

Chemical Info

InChI	InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
SMILES	C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI Key	CKTSBUTUHBMZGZ-SHYZEUOFSA-N
Molecular Formula	C9H13N3O4
Exact Mass	227.091 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-BML80258
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:28:57.203429
MetadataModified	2024-01-11T22:28:57.372702
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL23178	SureChEMBL
MCULE-2040549804	Mcule
13711	PubChem
901292	eMolecules
537205	eMolecules
72303	Brenda
CB4452977	ChemicalBook
DTXSID70883620	EPA CompTox Dashboard
CB7452978	ChemicalBook
LSM-45794	LINCS
15698	Rhea
173329	Brenda
HMDB0000014	Human Metabolome Database
48264	Brenda
486	Brenda
451	Brenda
51612	Brenda
155254	Brenda
MTBLC15698	Metabolights
ZINC000018286013	ZINC
14822820	PubChem: Thomson Pharma
70119663	NMRShiftDB
PD016190	ProbesDrugs
0W860991D6	FDA SRS
dcyt	Recon
56905-41-0	ACToR
207121-53-7	ACToR
14822821	PubChem: Thomson Pharma
C00881	KEGG Ligand
DCZ	PDBe
15698	ChEBI
CHEMBL66115	ChEMBL
DEOXYCYTIDINE	clinicaltrials
HY-D0184	MedChemExpress
50367094	BindingDB
DB02594	DrugBank
J14.406A	Nikkaji
DXCYTD	CCDC
The data in this table is sourced from UniChem at EBI.