Vecuronium
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001758
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001758 contains the MS mass spectrum of Vecuronium with the InChIkey BGSZAXLLHYERSY-XQIGCQGXSA-N.
Source: Vecuronium
Chemical Info
| InChI | InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 |
|---|---|
| SMILES | C([N+1]1(C(C2)C(C(C3)(C)C([H])2C(C6)([H])C(C(C4(C6)[H])(CC(N(C5)CCCC5)C(C4)OC(C)=O)C)([H])C3)OC(C)=O)C)CCCC1 |
| InChI Key | BGSZAXLLHYERSY-XQIGCQGXSA-N |
| Molecular Formula | [C34H57N2O4]+ |
| Exact Mass | 557.432 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 | 5f240d16-cb7b-4a38-ad30-a7b8c1c36cf3 |
| Package id | msbnk-waters-wa001758 |
| Resource type | HTML |
| State | active |