Dataset

N2-Isobutyryl-2'-deoxyguanosine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01797 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-BML01797
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:07.934474
MetadataModified 2024-01-11T22:27:08.094093
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID90218970 EPA CompTox Dashboard
ZINC000000056610 ZINC
CB2287368 ChemicalBook
135407017 PubChem
20206211 NMRShiftDB
20211284 NMRShiftDB
J599.031I Nikkaji
14944651 PubChem: Thomson Pharma
16147801 PubChem: Thomson Pharma
68892-42-2 ACToR
SCHEMBL264545 SureChEMBL
29261259 eMolecules
523526 eMolecules
2741294 eMolecules
The data in this table is sourced from UniChem at EBI.