Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C18H18O6/c1-23-17(21)13-7-3-5-11(9-13)15(19)16(20)12-6-4-8-14(10-12)18(22)24-2/h3-10,15-16,19-20H,1-2H3
SMILES COC(=O)c1cccc(c1)C(C(c1cccc(c1)C(=O)OC)O)O
InChI Key GLZVKCQUWCAMPD-UHFFFAOYSA-N
Molecular Formula C18H18O6
Exact Mass 330.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GLZVKCQUWCAMPD-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GLZVKCQUWCAMPD-UHFFFAOYSA-N/CHMO0000470
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:45:14.426663
MetadataModified 2024-09-07T17:24:12.592917
MetadataPublished 2020-03-30
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
22601758 PubChem
The data in this table is sourced from UniChem at EBI.