Dataset

Thioguanine

This MassBank record with Accession MSBNK-Waters-WA002776 contains the MS mass spectrum of Thioguanine with the InChIkey WYWHKKSPHMUBEB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
SMILES C1=NC2=C(N1)C(=S)N=C(N2)N
InChI Key WYWHKKSPHMUBEB-UHFFFAOYSA-N
Molecular Formula C5H5N5S
Exact Mass 167.027 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-Waters-WA002776
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:46.883509
MetadataModified 2024-01-11T22:49:47.047994
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables