Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C14H22O6/c15-5-7-17-9-11-19-13-3-1-2-4-14(13)20-12-10-18-8-6-16/h1-4,15-16H,5-12H2 |
---|---|
SMILES | OCCOCCOc1ccccc1OCCOCCO |
InChI Key | RNPJMMIXCCKRRD-UHFFFAOYSA-N |
Molecular Formula | C14H22O6 |
Exact Mass | 286.321 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/RNPJMMIXCCKRRD-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RNPJMMIXCCKRRD-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:40:02.010255 |
MetadataModified | 2024-09-07T12:02:34.250650 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
3310659 | PubChem |
SCHEMBL3336500 | SureChEMBL |
6176672 | eMolecules |
CHEMBL1733549 | ChEMBL |
J1.483.733G | Nikkaji |
MCULE-2283153983 | Mcule |
MolPort-000-255-097 | MolPort |
ZINC000003157017 | ZINC |
The data in this table is sourced from UniChem at EBI. |