Ergosine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000333
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000333 contains the MS2 mass spectrum of Ergosine with the InChIkey NESVMZOPWPCFAU-ZPRCMDFASA-N.
Source: Ergosine
Chemical Info
| InChI | InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChI Key | NESVMZOPWPCFAU-ZPRCMDFASA-N |
| Molecular Formula | C30H37N5O5 |
| Exact Mass | 547.279 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 | e5b0d194-9d9c-4e21-af7f-bdf0e16ed181 |
| Package id | msbnk-aafc-ac000333 |
| Resource type | HTML |
| State | active |