Dataset

2-(6-amino-8-sulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01424 contains the MS2 mass spectrum of 2-(6-amino-8-sulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol with the InChIkey QILZVYQRHGBEAR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13N5O4S/c11-7-4-8(13-2-12-7)15(10(20)14-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H,14,20)(H2,11,12,13)
SMILES C1=NC2=C(C(=N1)N)NC(=S)N2C3C(C(C(O3)CO)O)O
InChI Key QILZVYQRHGBEAR-UHFFFAOYSA-N
Molecular Formula C10H13N5O4S
Exact Mass 299.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01424
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:33.013965
MetadataModified 2024-01-11T22:24:33.190441
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1733591 ChEMBL
1344852 eMolecules
SCHEMBL20579589 SureChEMBL
SCHEMBL6672560 SureChEMBL
MCULE-7605164004 Mcule
2868728 PubChem
190961 ChEBI
15830-55-4 ACToR
15830-61-2 ACToR
3001-45-4 ACToR
The data in this table is sourced from UniChem at EBI.