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
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    68892-42-2 ACToR
    SCHEMBL264545 SureChEMBL
    2741294 eMolecules
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    DTXSID90218970 EPA CompTox Dashboard
    ZINC000000056610 ZINC
    J599.031I Nikkaji
    CB2287368 ChemicalBook
    135407017 PubChem
    The data in this table is sourced from UniChem at EBI.