Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H18O6/c1-5-22-17(19)11-8-12-13(20-3)6-7-14(21-4)16(12)15(9-11)23-10(2)18/h6-9H,5H2,1-4H3
SMILES CCOC(=O)c1cc(OC(=O)C)c2c(c1)c(OC)ccc2OC
InChI Key PTDZJPKRIGERKK-UHFFFAOYSA-N
Molecular Formula C17H18O6
Exact Mass 318.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PTDZJPKRIGERKK-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/PTDZJPKRIGERKK-UHFFFAOYSA-N/Mass/EI
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:05:51.060400
MetadataModified 2024-09-07T13:34:44.906421
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000095937536 ZINC
J1.831.244A Nikkaji
16402311 PubChem: Thomson Pharma
11313167 PubChem
SCHEMBL10394316 SureChEMBL
The data in this table is sourced from UniChem at EBI.