Molinate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000044
Dataset description:
This MassBank record with Accession MSBNK-AGILENT-AG000044 contains the MS2 mass spectrum of Molinate with the InChIkey DEDOPGXGGQYYMW-UHFFFAOYSA-N.
Source: Molinate
Chemical Info
| InChI | InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 |
|---|---|
| SMILES | CCSC(=O)N1CCCCCC1 |
| InChI Key | DEDOPGXGGQYYMW-UHFFFAOYSA-N |
| Molecular Formula | C9H17NOS |
| Exact Mass | 187.103 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 | No License Provided |
| Id | b3e4d9cb-a923-48be-8c57-3852f9320669 |
| Package id | msbnk-agilent-ag000044 |
| Resource type | HTML |
| State | active |