ASP_p_416.1486_12.8
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET400101
Dataset description:
This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET400101 contains the MS2 mass spectrum of ASP_p_416.1486_12.8 with the InChIkey KJELOTPSGOPMRQ-UHFFFAOYSA-N.
Source: ASP_p_416.1486_12.8
Chemical Info
| InChI | InChI=1S/C17H25N3O7S/c1-4-20(24)8-6-7-12(20)11-18-17(21)13-9-16(28(25,26)5-2)14(19(22)23)10-15(13)27-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21) |
|---|---|
| SMILES | [O-][N+]1(CCCC1CNC(C2=C(OC)C=C([N+]([O-])=O)C(S(=O)(CC)=O)=C2)=O)CC |
| InChI Key | KJELOTPSGOPMRQ-UHFFFAOYSA-N |
| Molecular Formula | C17H25N3O7S |
| Exact Mass | 415.141 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 481b77e1-b765-476a-9465-3b158f4c47fe |
| Package id | msbnk-eawag_additional_specs-et400101 |
| Resource type | HTML |
| State | active |