Dataset

METHYLTHIOADENOSINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102201_F638 contains the MS2 mass spectrum of METHYLTHIOADENOSINE with the InChIkey WUUGFSXJNOTRMR-IOSLPCCCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N
InChI Key WUUGFSXJNOTRMR-IOSLPCCCSA-N
Molecular Formula C11H15N5O3S
Exact Mass 297.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P102201_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:42.624811
MetadataModified 2024-01-11T09:30:42.823549
MetadataPublished 2021-12-13
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
400 Brenda
101846 Brenda
118314 Brenda
DB02282 DrugBank
5113 Brenda
3648 Brenda
136183 Brenda
CB9392566 ChemicalBook
MTBLC17509 Metabolights
40205 Brenda
2937 Brenda
1578 Brenda
34847 Brenda
50531 Brenda
HMDB0001173 Human Metabolome Database
113296 Brenda
17509 Rhea
30958 Brenda
HY-16938 MedChemExpress
22111 BindingDB
20231623 NMRShiftDB
DTXSID20179308 EPA CompTox Dashboard
TMSADS CCDC
ZINC000004228245 ZINC
439176 PubChem
PD018550 ProbesDrugs
634Z2VK3UQ FDA SRS
14898241 PubChem: Thomson Pharma
14825100 PubChem: Thomson Pharma
5mta Recon
SCHEMBL160358 SureChEMBL
J419.054H Nikkaji
CHEMBL277041 ChEMBL
MTA PDBe
C00170 KEGG Ligand
17509 ChEBI
497047 eMolecules
The data in this table is sourced from UniChem at EBI.