Dataset

ADENOSINEDIPHOSPHATERIBOSE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100501_EF88 contains the MS2 mass spectrum of ADENOSINEDIPHOSPHATERIBOSE with the InChIkey SRNWOUGRCWSEMX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)
SMILES NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1
InChI Key SRNWOUGRCWSEMX-UHFFFAOYSA-N
Molecular Formula C15H23N5O14P2
Exact Mass 559.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100501_EF88
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:17.003371
MetadataModified 2024-01-11T09:31:17.223211
MetadataPublished 2021-12-23
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15408655 PubChem: Thomson Pharma
60020385 NMRShiftDB
PD042773 ProbesDrugs
SCHEMBL19997377 SureChEMBL
HMDB0001178 Human Metabolome Database
192 PubChem
The data in this table is sourced from UniChem at EBI.