Indomethacin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001440
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001440 contains the MS mass spectrum of Indomethacin with the InChIkey CGIGDMFJXJATDK-UHFFFAOYSA-N.
Source: Indomethacin
Chemical Info
| 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 |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 5dc6d848-9313-4f47-b07f-c17d0a6a9f22 |
| Package id | msbnk-waters-wa001440 |
| Resource type | HTML |
| State | active |