Simetryn
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF402104
Dataset description:
This MassBank record with Accession MSBNK-UFZ-UF402104 contains the MS2 mass spectrum of Simetryn with the InChIkey MGLWZSOBALDPEK-UHFFFAOYSA-N.
Source: Simetryn
Chemical Info
| InChI | InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) |
|---|---|
| SMILES | CCNC1=NC(SC)=NC(NCC)=N1 |
| InChI Key | MGLWZSOBALDPEK-UHFFFAOYSA-N |
| Molecular Formula | C8H15N5S |
| Exact Mass | 213.105 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 | b3b2be05-f745-4d8a-aa80-d33bb64b2eb3 |
| Package id | msbnk-ufz-uf402104 |
| Resource type | HTML |
| State | active |