Dataset

3'-Adenylic acid; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80365 contains the MS mass spectrum of 3'-Adenylic acid with the InChIkey LNQVTSROQXJCDD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
SMILES C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)OP(=O)(O)O)O
InChI Key LNQVTSROQXJCDD-UHFFFAOYSA-N
Molecular Formula C10H14N5O7P
Exact Mass 347.063 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-BML80365
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MetadataPublished 2016-01-19
Related Molecule
  • [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD070004 ProbesDrugs
    256105 PubChem
    84-21-9 ACToR
    HMDB0258140 Human Metabolome Database
    SCHEMBL17346493 SureChEMBL
    The data in this table is sourced from UniChem at EBI.