Dataset

N2-Isobutyryl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01760 contains the MS2 mass spectrum of N2-Isobutyryl-5'-O-(4,4'-dimethoxytrityl)-2'-deoxyguanosine with the InChIkey RMQXDNUKLIDXOS-ZGIBFIJWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1
SMILES CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI Key RMQXDNUKLIDXOS-ZGIBFIJWSA-N
Molecular Formula C35H37N5O7
Exact Mass 639.269 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-BML01760
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:21:40.150049
MetadataModified 2024-01-11T22:21:40.338384
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-W010702 MedChemExpress
J236.464F Nikkaji
SCHEMBL2281663 SureChEMBL
10969589 eMolecules
PD131006 ProbesDrugs
127263-01-8 ACToR
14863428 PubChem: Thomson Pharma
492617 eMolecules
ZINC000004261984 ZINC
DTXSID1074965 EPA CompTox Dashboard
CB6192118 ChemicalBook
135445746 PubChem
The data in this table is sourced from UniChem at EBI.