Dataset

2-Mercaptopurine

This MassBank record with Accession MSBNK-Waters-WA002767 contains the MS mass spectrum of 2-Mercaptopurine with the InChIkey HDBQZGJWHMCXIL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)
SMILES S=C(N1)NC(=N2)C(N=C2)=C1
InChI Key HDBQZGJWHMCXIL-UHFFFAOYSA-N
Molecular Formula C5H4N4S
Exact Mass 152.016 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-WA002767
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:10.453117
MetadataModified 2024-01-11T22:49:10.639377
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6880663 eMolecules
592146 eMolecules
15243108 PubChem: Thomson Pharma
SCHEMBL3896 SureChEMBL
28128-19-0 ACToR
DTXSID60878767 EPA CompTox Dashboard
ZINC000012955987 ZINC
16902 Brenda
J250.658K Nikkaji
81XK02929C FDA SRS
3015569 PubChem
The data in this table is sourced from UniChem at EBI.