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2,4-(OH)₂-PhAcAsn4ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₃H₃₈N₆O₆ |
| CAS | — |
| SMILES | O=C(CC1=CC=C(O)C=C1O)NC(CC(N)=O)C(NCCCCNC(CCNCCCCN)=O)=O |
| InChI | InChI=1S/C23H38N6O6/c24-8-1-2-9-26-12-7-21(33)27-10-3-4-11-28-23(35)18(15-20(25)32)29-22(34)13-16-5-6-17(30)14-19(16)31/h5-6,14,18,26,30-31H,1-4,7-13,15,24H2,(H2,25,32)(H,27,33)(H,28,35)(H,29,34) |
| |
| Precursor 1 [M+H]⁺ | 495.29256 |
| Precursor 2 [M+2H]²⁺ | 248.14992 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX [M(D₁₀)+D]⁺ | 506.36160 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 254.18758 |
| Precursor HDX 3 | |
| |
| Rt | 5.37 |
| Rt HDX | 4.41 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 336.15540 | 318.14483 | 319.12885 | 353.18195 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 407.19251 | 389.18195 | 390.16596 | 424.21906 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 478.26601 | 460.25545 | 461.23946 | 495.29256 | 328.23432 | 311.20777 | 345.26087 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 495.29256 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | T. clavipes | Spider Pharm, USA | 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 |
|---|
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |