Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C26H23IO4/c1-29-22-12-13-23(30-2)25-20(22)14-18(26(28)19-10-6-7-11-21(19)27)15-24(25)31-16-17-8-4-3-5-9-17/h3-15,26,28H,16H2,1-2H3
SMILES COc1ccc(c2c1c(OCc1ccccc1)cc(c2)C(c1ccccc1I)O)OC
InChI Key ZZMLAIHDFPOTNA-UHFFFAOYSA-N
Molecular Formula C26H23IO4
Exact Mass 526.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZZMLAIHDFPOTNA-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/ZZMLAIHDFPOTNA-UHFFFAOYSA-N/Mass/EI
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:05:39.009643
MetadataModified 2024-09-07T13:34:26.977046
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427510 PubChem
The data in this table is sourced from UniChem at EBI.