Dataset

GUANINE; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100706_EF88 contains the MS2 mass spectrum of GUANINE with the InChIkey UYTPUPDQBNUYGX-UHFFFAOYSA-N.

Chemical Information

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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100706_EF88
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MetadataPublished 2021-12-14
Related Molecule
  • 2-amino-3,7-dihydropurin-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02377 drugbank
    CHEBI:16235 chebi
    GUN rcsb_pdb
    CHEMBL219568 chembl
    122461 surechembl
    16389311 surechembl
    2216795 surechembl
    31714144 surechembl
    342789 surechembl
    5259 surechembl
    5260 surechembl
    6126257 surechembl
    135398634 pubchem
    5Z93L87A1R fdasrs
    4556 gtopdb
    PD039221 probes_and_drugs
    KEMDOW CCDC
    102124 brenda
    199 brenda
    228482 brenda
    228483 brenda
    49097 brenda
    49098 brenda
    51287 brenda
    HMDB0000132 hmdb
    1334387 bindingdb
    50036359 bindingdb
    50089816 bindingdb
    50525568 bindingdb
    50746684 bindingdb
    50805044 bindingdb
    50961465 bindingdb
    50961466 bindingdb
    51209603 bindingdb
    Molport-000-757-423 molport
    Molport-000-891-035 molport
    Molport-002-507-335 molport
    Molport-003-895-684 molport
    Molport-003-941-450 molport
    Molport-006-724-705 molport
    Molport-047-941-157 molport
    The data in this table is sourced from UniChem at EBI.