Dataset

Argininosuccinic acid disodium salt, Argininosuccinate

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS017302 contains the MS2 mass spectrum of Argininosuccinic acid disodium salt, Argininosuccinate with the InChIkey KDZOASGQNOPSCU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)
SMILES C(CC(C(=O)O)N)CN=C(N)NC(CC(=O)O)C(=O)O
InChI Key KDZOASGQNOPSCU-UHFFFAOYSA-N
Molecular Formula C10H18N4O6
Exact Mass 290.276 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-PS017302
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:16:19.078403
MetadataModified 2025-02-09T19:20:27.765949
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
828 PubChem
60023413 NMRShiftDB
14849124 PubChem: Thomson Pharma
PD023440 ProbesDrugs
SCHEMBL12620849 SureChEMBL
HMDB0248585 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.