Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C17H22O8/c18-16-13-17(19)25-12-8-21-6-10-23-15-4-2-1-3-14(15)22-9-5-20-7-11-24-16/h1-4H,5-13H2 |
---|---|
SMILES | O=C1OCCOCCOc2ccccc2OCCOCCOC(=O)C1 |
InChI Key | YYWXZDMWPQSJKL-UHFFFAOYSA-N |
Molecular Formula | C17H22O8 |
Exact Mass | 354.352 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/YYWXZDMWPQSJKL-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YYWXZDMWPQSJKL-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:40:30.233644 |
MetadataModified | 2024-09-07T12:03:12.363262 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
73427280 | PubChem |
The data in this table is sourced from UniChem at EBI. |