Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2
SMILES C#CC(=O)OCC(COC(=O)C#C)(COC(=O)C#C)COC(=O)C#C
InChI Key XOTGTQGTNTVMPG-UHFFFAOYSA-N
Molecular Formula C17H12O8
Exact Mass 344.272 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XOTGTQGTNTVMPG-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/XOTGTQGTNTVMPG-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:34:54.823536
MetadataModified 2024-09-07T18:31:50.981079
MetadataPublished 2020-08-08
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12032629 eMolecules
J2.855.589J Nikkaji
13177825 PubChem
The data in this table is sourced from UniChem at EBI.