Dataset

1,3-Dihydroxyacetone dimer

This MassBank record with Accession MSBNK-RIKEN-PR100844 contains the MS2 mass spectrum of 1,3-Dihydroxyacetone dimer with the InChIkey KEQUNHIAUQQPAC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
SMILES OCC(O)(C1)OCC(O)(CO)O1
InChI Key KEQUNHIAUQQPAC-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-RIKEN-PR100844
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:03:29.416820
MetadataModified 2025-02-09T18:35:08.093277
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1159449164 Mcule
4180364 PubChem
502407 eMolecules
15322062 PubChem: Thomson Pharma
62147-49-3 ACToR
SCHEMBL229379 SureChEMBL
173855 ChEBI
CB1492044 ChemicalBook
DTXSID6040165 EPA CompTox Dashboard
J208.317E Nikkaji
HMDB0032222 Human Metabolome Database
CB4492045 ChemicalBook
The data in this table is sourced from UniChem at EBI.