Dataset
![molecular Image]()
Indomethacin; LC-ESI-Q; MS; POS; 30 V
Chemical Information
| InChI | InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
|---|---|
| SMILES | COc(c3)cc(c(CC(O)=O)1)c(c3)n(C(=O)c(c2)ccc(Cl)c2)c(C)1 |
| InChI Key | CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Molecular Formula | C19H16ClNO4 |
| Exact Mass | 357.077 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001441 |
| 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 |
|---|---|
| DB00328 | drugbank |
| CHEBI:49662 | chebi |
| IMN | rcsb_pdb |
| CHEMBL6 | chembl |
| 29353712 | surechembl |
| 9300 | surechembl |
| 3715 | pubchem |
| XXE1CET956 | fdasrs |
| 1909 | gtopdb |
| PD002292 | probes_and_drugs |
| INDMET | CCDC |
| 125887 | brenda |
| 127068 | brenda |
| 217119 | brenda |
| 546 | brenda |
| 98002 | brenda |
| HMDB0014473 | hmdb |
| 1218797 | bindingdb |
| 1218798 | bindingdb |
| 1336951 | bindingdb |
| 1336952 | bindingdb |
| 176652 | bindingdb |
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| 178948 | bindingdb |
| 179003 | bindingdb |
| 179004 | bindingdb |
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| Molport-000-917-894 | molport |
| 1440 | drugcentral |
| The data in this table is sourced from UniChem at EBI. | |