Dataset

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate, 2'-Deoxyadenosine-5'-monophosphate, 2'-Deoxyadenylic acid, 2'-Deoxy-AMP, dAMP

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT201420 contains the MS2 mass spectrum of [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate, 2'-Deoxyadenosine-5'-monophosphate, 2'-Deoxyadenylic acid, 2'-Deoxy-AMP, dAMP with the InChIkey KHWCHTKSEGGWEX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)
SMILES	C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)O
InChI Key	KHWCHTKSEGGWEX-UHFFFAOYSA-N
Molecular Formula	C10H14N5O6P
Exact Mass	331.227 g/mol

Data and Resources

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxol...HTML
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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-PT201420
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:14:46.843426
MetadataModified	2025-02-09T19:06:11.683284
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
537531	eMolecules
SCHEMBL11927745	SureChEMBL
653-63-4	ACToR
PD025765	ProbesDrugs
MCULE-8669931858	Mcule
621	PubChem
The data in this table is sourced from UniChem at EBI.