Dataset

Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS003907 contains the MS2 mass spectrum of Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon with the InChIkey GFFGJBXGBJISGV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
SMILES C1=NC2=C(N1)C(=NC=N2)N
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
Exact Mass 135.130 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-RIKEN_ReSpect-PS003907
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:04.268268
MetadataModified 2024-01-11T21:07:04.469773
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PA448048 PharmGKB
adenine Selleck
14747713 PubChem: Thomson Pharma
ade Recon
JAC85A2161 FDA SRS
22051-90-7 ACToR
PD001577 ProbesDrugs
15970681 PubChem: Thomson Pharma
190 PubChem
533977 eMolecules
27677487 eMolecules
474936 eMolecules
214750 Brenda
adenine DailyMed
CB0406220 ChemicalBook
CB1323708 ChemicalBook
16708 Rhea
13045 Brenda
144 Brenda
HMDB0000034 Human Metabolome Database
MTBLC16708 Metabolights
10016329 NMRShiftDB
SCHEMBL8110 SureChEMBL
MCULE-6556342774 Mcule
CHEMBL226345 ChEMBL
16708 ChEBI
ADE PDBe
C00147 KEGG Ligand
DB00173 DrugBank
4788 Guide to Pharmacology
J5.257D Nikkaji
181146 BindingDB
33218 BindingDB
ADENINE DailyMed
ADENINE rxnorm
ADENINE clinicaltrials
HY-B0152 MedChemExpress
DTXSID6022557 EPA CompTox Dashboard
89 DrugCentral
ZINC000000000882 ZINC
KOBFUD CCDC
50228485 BindingDB
The data in this table is sourced from UniChem at EBI.