Dataset

D-Altrulose, D-Psicose, Psi, (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, Erythrohexulose, Pseudofructose, D-ribo-2-Ketohexulose; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS078804 contains the MS2 mass spectrum of D-Altrulose, D-Psicose, Psi, (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, Erythrohexulose, Pseudofructose, D-ribo-2-Ketohexulose with the InChIkey LKDRXBCSQODPBY-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2
SMILES	C1C(C(C(C(O1)(CO)O)O)O)O
InChI Key	LKDRXBCSQODPBY-UHFFFAOYSA-N
Molecular Formula	C6H12O6
Exact Mass	180.156 g/mol

Data and Resources

D-Altrulose, D-Psicose, Psi,...HTML

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Related Molecule ⌄

2-(hydroxymethyl)oxane-2,3,4,5-tetrol

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-PS078804
Version
Author
Maintainer
Language
MetadataPublished	2009-02-09
Related Molecule	2-(hydroxymethyl)oxane-2,3,4,5-tetrol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-3989562945	Mcule
FRUCTO	CCDC
HMDB0250793	Human Metabolome Database
60000015	NMRShiftDB
60000014	NMRShiftDB
CHEMBL23954	ChEMBL
3426	PubChem
PD065439	ProbesDrugs
SCHEMBL6671797	SureChEMBL
6347-01-9	ACToR
57-48-7	ACToR
1939895	eMolecules
The data in this table is sourced from UniChem at EBI.