Dataset

N2-Isobutyryl-2'-deoxyguanosine

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 Info

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
MetadataCreated 2024-01-11T22:18:21.184464
MetadataModified 2025-02-09T20:11:25.188136
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20206211 NMRShiftDB
20211284 NMRShiftDB
14944651 PubChem: Thomson Pharma
16147801 PubChem: Thomson Pharma
68892-42-2 ACToR
SCHEMBL264545 SureChEMBL
2741294 eMolecules
523526 eMolecules
29261259 eMolecules
DTXSID90218970 EPA CompTox Dashboard
ZINC000000056610 ZINC
J599.031I Nikkaji
CB2287368 ChemicalBook
135407017 PubChem
The data in this table is sourced from UniChem at EBI.