Dataset

Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS035805 contains the MS2 mass spectrum of Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP with the InChIkey GYOZYWVXFNDGLU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)
SMILES CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
InChI Key GYOZYWVXFNDGLU-UHFFFAOYSA-N
Molecular Formula C10H15N2O8P
Exact Mass 322.212 g/mol

Data and Resources

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-PS035805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:08:09.904865
MetadataModified 2025-02-09T19:10:01.577613
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1139 PubChem
70114698 NMRShiftDB
365-07-1 ACToR
181566 ChEBI
SCHEMBL16092807 SureChEMBL
PD042974 ProbesDrugs
The data in this table is sourced from UniChem at EBI.