LID_180.1018_12.9
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET080506
Dataset description:
This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET080506 contains the MS2 mass spectrum of LID_180.1018_12.9 with the InChIkey LUIJJBHAVXGCTP-UHFFFAOYSA-N.
Source: LID_180.1018_12.9
Chemical Info
| InChI | InChI=1S/C10H13NO2/c1-7-4-3-5-8(2)10(7)11-9(13)6-12/h3-5,12H,6H2,1-2H3,(H,11,13) |
|---|---|
| SMILES | CC1=CC=CC(C)=C1NC(=O)CO |
| InChI Key | LUIJJBHAVXGCTP-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.095 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 4.0 International (CC BY 4.0) |
| Id | 6bb7e261-5885-40ab-b6f7-f0b8b28a8606 |
| Package id | msbnk-eawag_additional_specs-et080506 |
| Resource type | HTML |
| State | active |