Avermectin B1b
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ02310
Dataset description:
This MassBank record with Accession MSBNK-MSSJ-MSJ02310 contains the MS2 mass spectrum of Avermectin B1b with the InChIkey ZFUKERYTFURFGA-PVVXTEPVSA-N.
Source: Avermectin B1b; LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 30 V
Chemical Info
| InChI | InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1 |
|---|---|
| SMILES | CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O |
| InChI Key | ZFUKERYTFURFGA-PVVXTEPVSA-N |
| Exact Mass | 858.477 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 | 6d9315b4-b21d-4ee1-8a5a-ce28cfe146e0 |
| Package id | msbnk-mssj-msj02310 |
| Resource type | HTML |
| State | active |