Dataset

THYMIDINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102104_FB57 contains the MS2 mass spectrum of THYMIDINE with the InChIkey IQFYYKKMVGJFEH-XLPZGREQSA-N.

Chemical Info

InChI	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
SMILES	CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
InChI Key	IQFYYKKMVGJFEH-XLPZGREQSA-N
Molecular Formula	C10H14N2O5
Exact Mass	242.090 g/mol

Data and Resources

THYMIDINEHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P102104_FB57
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:59.705820
MetadataModified	2024-01-11T09:32:59.895898
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
532057	eMolecules
28206777	eMolecules
C00214	KEGG Ligand
CHEMBL52609	ChEMBL
THM	PDBe
17748	ChEBI
MCULE-7680226016	Mcule
THYDIN	CCDC
SCHEMBL19894	SureChEMBL
J4.548I	Nikkaji
5789	PubChem
60020903	NMRShiftDB
PD049699	ProbesDrugs
1455	Brenda
VC2W18DGKR	FDA SRS
15196472	PubChem: Thomson Pharma
50-88-4	ACToR
35902-13-7	ACToR
thymd	Recon
THYMIDINE	clinicaltrials
HY-N1150	MedChemExpress
THYMIDINE	rxnorm
ZINC000000025672	ZINC
DTXSID5023661	EPA CompTox Dashboard
1	BindingDB
173330	Brenda
14935	Brenda
3070	Brenda
4718	Guide to Pharmacology
166	Brenda
63029	Brenda
DB04485	DrugBank
HMDB0000273	Human Metabolome Database
17748	Rhea
CB6134417	ChemicalBook
MTBLC17748	Metabolights
The data in this table is sourced from UniChem at EBI.