Dataset

GUANINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100706_FB57 contains the MS2 mass spectrum of GUANINE with the InChIkey UYTPUPDQBNUYGX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
SMILES NC1=NC(=O)C2=C(N1)N=CN2
InChI Key UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula C5H5N5O
Exact Mass 151.049 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100706_FB57
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:08.410218
MetadataModified 2024-01-11T09:32:08.580755
MetadataPublished 2021-12-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
GUN PDBe
CHEMBL219568 ChEMBL
C00242 KEGG Ligand
16235 ChEBI
1944819 eMolecules
515658 eMolecules
27678147 eMolecules
6217528 eMolecules
628576 eMolecules
16020045 PubChem: Thomson Pharma
16105542 PubChem: Thomson Pharma
14891624 PubChem: Thomson Pharma
11006-44-3 ACToR
gua Recon
5Z93L87A1R FDA SRS
PD039221 ProbesDrugs
MCULE-7938010131 Mcule
J9.344K Nikkaji
SCHEMBL5259 SureChEMBL
10025984 NMRShiftDB
SCHEMBL16389311 SureChEMBL
4556 Guide to Pharmacology
ZINC000000895129 ZINC
KEMDOW CCDC
50200094 BindingDB
228482 Brenda
DTXSID9052476 EPA CompTox Dashboard
GUANINE rxnorm
GUANINE clinicaltrials
HY-Y1055 MedChemExpress
228483 Brenda
199 Brenda
135398634 PubChem
CB3259805 ChemicalBook
16235 Rhea
HMDB0000132 Human Metabolome Database
DB02377 DrugBank
49097 Brenda
51287 Brenda
102124 Brenda
49098 Brenda
MTBLC16235 Metabolights
The data in this table is sourced from UniChem at EBI.