Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H16O9/c1-8(17)22-7-13(21)12-5-14(23-9(2)18)16(25-11(4)20)15(6-12)24-10(3)19/h5-6H,7H2,1-4H3
SMILES CC(=O)OCC(=O)c1cc(OC(=O)C)c(c(c1)OC(=O)C)OC(=O)C
InChI Key YBPOUYKRSJRDEC-UHFFFAOYSA-N
Molecular Formula C16H16O9
Exact Mass 352.293 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBPOUYKRSJRDEC-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/YBPOUYKRSJRDEC-UHFFFAOYSA-N/Mass/EI.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:22:10.222806
MetadataModified 2024-09-07T13:48:49.471600
MetadataPublished 2014-08-26
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
85117-87-9 ACToR
CB0909150 ChemicalBook
J309.737D Nikkaji
97308 PubChem
ZINC000001704822 ZINC
DTXSID50234232 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.