Navigation :
4-OH-IndAc4(OH)3333
3333.png)
3333_Ea.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₂₆H₄₇N₇O₃ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCCN(O)CCCNCCCNCCCNCCCN |
| InChI | InChI=1S/C26H47N7O3/c27-10-4-11-28-12-5-13-29-14-6-15-30-16-7-19-33(36)18-2-1-17-31-25(35)20-22-21-32-23-8-3-9-24(34)26(22)23/h3,8-9,21,28-30,32,34,36H,1-2,4-7,10-20,27H2,(H,31,35) |
| |
| Precursor 1 [M+H]⁺ | 506.38131 |
| Precursor 2 [M+2H]²⁺ | 253.69430 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX [M(D₉)+D]⁺ | 516.44408 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 259.22882 |
| Precursor HDX 3 | |
| |
| Rt | 8.48 |
| Rt HDX | 6.64 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 245.12845 | 227.11789 | 228.10191 | 278.14992 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 318.18122 | 300.17065 | 301.15467 | 335.20777 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 375.23907 | 357.22850 | 358.21252 | 392.26562 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 432.29692 | 414.28635 | 415.27037 | 449.32347 | 229.23867 | 212.21212 | 262.26014 |
| 5 | 489.35477 | 471.34420 | 472.32822 | 506.38131 | 316.30709 | 299.28054 | 333.33364 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 506.38131 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |