Dataset
![molecular Image]()
electron ionisation mass spectrometry (EI-MS)
Chemical Info
| InChI | InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3 |
|---|---|
| SMILES | COCCOCCOCCOCCO |
| InChI Key | ZNYRFEPBTVGZDN-UHFFFAOYSA-N |
| Molecular Formula | C9H20O5 |
| Exact Mass | 208.252 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ZNYRFEPBTVGZDN-UHFFFAOYSA-N/Mass/EI.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ZNYRFEPBTVGZDN-UHFFFAOYSA-N/Mass/EI.1 |
| Version | |
| Author | Sylvia Vanderheiden-Schroen |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-06T21:23:50.267199 |
| MetadataModified | 2024-09-07T13:51:02.800166 |
| MetadataPublished | 2014-08-30 |
| Field | Value |
|---|---|
| Measurement Technique | electron ionisation mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 718484 | eMolecules |
| CHEMBL1232586 | ChEMBL |
| DB04332 | DrugBank |
| ETE | PDBe |
| HMDB0062236 | Human Metabolome Database |
| CB4712280 | ChemicalBook |
| MCULE-8343383217 | Mcule |
| 50302 | Brenda |
| 109641 | Brenda |
| HY-W018365 | MedChemExpress |
| DTXSID3027829 | EPA CompTox Dashboard |
| ZINC000001580161 | ZINC |
| 90263 | PubChem |
| 15121124 | PubChem: Thomson Pharma |
| 23783-42-8 | ACToR |
| PD006299 | ProbesDrugs |
| SCHEMBL64956 | SureChEMBL |
| 189796 | ChEBI |
| J97.011E | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |