Dataset
M-METHOXYBENZALDEHYDE; EI-B; MS
Chemical Information
| InChI | InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3 |
|---|---|
| SMILES | O=Cc(c1)cc(OC)cc1 |
| InChI Key | WMPDAIZRQDCGFH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.052 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008710 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 11569 | PubChem |
| PD158250 | ProbesDrugs |
| 591-31-1 | ACToR |
| 14891543 | PubChem: Thomson Pharma |
| 5991-31-1 | ACToR |
| SCHEMBL23188 | SureChEMBL |
| 480395 | eMolecules |
| 137005 | Brenda |
| 11137 | Brenda |
| HMDB0031459 | Human Metabolome Database |
| CB9729111 | ChemicalBook |
| 136805 | ChEBI |
| MTBLC136805 | Metabolights |
| 91497 | Brenda |
| 32673 | Brenda |
| 124430 | Brenda |
| 1856 | Brenda |
| 34541 | Brenda |
| 140996 | Brenda |
| 10024789 | NMRShiftDB |
| 8ZAO7S0IVH | FDA SRS |
| MCULE-4954380096 | Mcule |
| CHEMBL22585 | ChEMBL |
| HY-W007346 | MedChemExpress |
| J6.757A | Nikkaji |
| ZINC000001676373 | ZINC |
| DTXSID5044447 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |