Dataset

D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS079201 contains the MS2 mass spectrum of D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate with the InChIkey GACTWZZMVMUKNG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)
SMILES C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
InChI Key GACTWZZMVMUKNG-UHFFFAOYSA-N
Molecular Formula C6H15O9P
Exact Mass 262.153 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-PS079201
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:43.277277
MetadataModified 2024-01-11T21:06:43.443646
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.739.720D Nikkaji
CHEMBL1161480 ChEMBL
C00644 KEGG Ligand
C01096 KEGG Ligand
C02810 KEGG Ligand
HMDB0005831 Human Metabolome Database
50036 Brenda
1986406 eMolecules
60023442 NMRShiftDB
PD042486 ProbesDrugs
618 PubChem
SCHEMBL1403636 SureChEMBL
The data in this table is sourced from UniChem at EBI.