Dataset

1-Methylguanine; LC-ESI-QTOF; MS2; 20 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095901 contains the MS2 mass spectrum of 1-Methylguanine with the InChIkey RFLVMTUMFYRZCB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
SMILES CN1C(=Nc2nc[nH]c2C1=O)N
InChI Key RFLVMTUMFYRZCB-UHFFFAOYSA-N
Molecular Formula C6H7N5O
Exact Mass 165.065 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095901
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
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    HMDB0003282 Human Metabolome Database
    ZINC000012496101 ZINC
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    CHEMBL2396855 ChEMBL
    1ATY0M8242 FDA SRS
    SCHEMBL20866 SureChEMBL
    938-85-2 ACToR
    70315 PubChem
    528936 eMolecules
    J128.126G Nikkaji
    DTXSID4049377 EPA CompTox Dashboard
    CB5709632 ChemicalBook
    14992407 PubChem: Thomson Pharma
    21803 ChEBI
    The data in this table is sourced from UniChem at EBI.