Dataset

Fructose (Generic Ketohexose)

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81268 contains the MS mass spectrum of Fructose (Generic Ketohexose) with the InChIkey LKDRXBCSQODPBY-UHFFFAOYSA-N.

Chemical Info

molecular Image
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 180.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81268
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:55.664477
MetadataModified 2024-01-11T22:27:55.817767
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL23954 ChEMBL
1939895 eMolecules
60000014 NMRShiftDB
60000015 NMRShiftDB
MCULE-3989562945 Mcule
FRUCTO CCDC
HMDB0250793 Human Metabolome Database
3426 PubChem
PD065439 ProbesDrugs
SCHEMBL6671797 SureChEMBL
6347-01-9 ACToR
57-48-7 ACToR
The data in this table is sourced from UniChem at EBI.