Dataset

ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS010901 contains the MS2 mass spectrum of ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt with the InChIkey XTWYTFMLZFPYCI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)
SMILES C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
InChI Key XTWYTFMLZFPYCI-UHFFFAOYSA-N
Molecular Formula C10H15N5O10P2
Exact Mass 427.207 g/mol

Data and Resources

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-PS010901
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:52.593593
MetadataModified 2024-01-11T21:06:52.747909
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL14180716 SureChEMBL
70111623 NMRShiftDB
PD055899 ProbesDrugs
1985333 eMolecules
60363-09-9 ACToR
2092-65-1 ACToR
72696-48-1 ACToR
197 PubChem
HMDB0247869 Human Metabolome Database
ADENDP CCDC
50013703 BindingDB
177051 ChEBI
102263 Brenda
The data in this table is sourced from UniChem at EBI.