[Leu1]-microcystin-LY
8266
Reference
[Leu1]-microcystin-LY Structure
Systematic / IUPAC Name:
ID: Reference8266
Other Names:
Formula: C55H77N7O13
Class: Natural Toxins
Spectral Data
[Leu1]-microcystin-LY mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 613 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/23/2018 12:37:37 PM |
Identificators
| InChI | InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1 |
| InChI Key | ANDKUSLFYHFLNO-WVYYMHGOSA-N |
| Canonical SMILES | c1ccccc1C[C@@H]([C@H](/C=C(/C=C/[C@H]1[C@@H](C(=O)N[C@H](CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N1)C)C(=O)O)CC(C)C)CC(C)C)C)C(=O)O)C)\C)C)OC |
| CAS | |
| Splash | |
| Other Names |