Dataset

Hexose + C13H17O3

This MassBank record with Accession MSBNK-RIKEN-PR308945 contains the MS2 mass spectrum of Hexose + C13H17O3 with the InChIkey FUXBESIRIBMOMU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H28O9/c1-10-6-12(22)7-18(2,3)19(10,26)5-4-11(21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,13-17,20,23-26H,7-9H2,1-3H3
SMILES O=C(C=CC1(O)(C(=CC(=O)CC1(C)(C))C))COC2OC(CO)C(O)C(O)C2(O)
InChI Key FUXBESIRIBMOMU-UHFFFAOYSA-N
Molecular Formula C19H28O9
Exact Mass 400.424 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308945
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:20:03.102725
MetadataModified 2025-02-09T18:28:49.399255
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
85081135 PubChem
The data in this table is sourced from UniChem at EBI.