Dataset

N2-Isobutyryl-2'-deoxyguanosine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01774 contains the MS2 mass spectrum of N2-Isobutyryl-2'-deoxyguanosine with the InChIkey SIDXEQFMTMICKG-DJLDLDEBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1
SMILES CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI Key SIDXEQFMTMICKG-DJLDLDEBSA-N
Molecular Formula C14H19N5O5
Exact Mass 337.139 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-BML01774
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MetadataPublished 2016-01-19
Related Molecule
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    264545 surechembl
    135407017 pubchem
    PD213229 probes_and_drugs
    Molport-003-937-372 molport
    Molport-009-753-638 molport
    Molport-047-354-512 molport
    The data in this table is sourced from UniChem at EBI.