Dataset

Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 2'-Deoxyadenosine monohydrate, dA

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT101403 contains the MS2 mass spectrum of Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 2'-Deoxyadenosine monohydrate, dA with the InChIkey OLXZPDWKRNYJJZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
SMILES	C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O
InChI Key	OLXZPDWKRNYJJZ-UHFFFAOYSA-N
Molecular Formula	C10H13N5O3
Exact Mass	251.246 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT101403
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:14:47.330306
MetadataModified	2025-02-09T19:20:18.978805
MetadataPublished	2008-07-25

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-1894091442	Mcule
636	PubChem
60027271	NMRShiftDB
PD093862	ProbesDrugs
SCHEMBL12222478	SureChEMBL
958-09-8	ACToR
13276-53-4	ACToR
3413-66-9	ACToR
537473	eMolecules
DOXADM	CCDC
50025883	BindingDB
CHEMBL416340	ChEMBL
The data in this table is sourced from UniChem at EBI.