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2,4-(OH)₂-PhAcAsn4ßAla43
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₆H₄₅N₇O₆ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNC(CCNCCCCNCCCN)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C26H45N7O6/c27-9-5-12-29-10-1-2-11-30-15-8-24(37)31-13-3-4-14-32-26(39)21(18-23(28)36)33-25(38)16-19-6-7-20(34)17-22(19)35/h6-7,17,21,29-30,34-35H,1-5,8-16,18,27H2,(H2,28,36)(H,31,37)(H,32,39)(H,33,38) |
| |
| Precursor 1 [M+H]⁺ | 552.35041 |
| Precursor 2 [M+2H]²⁺ | 276.67884 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX [M(D₁₁)+D]⁺ | 564.42573 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 283.21964 |
| Precursor HDX 3 | |
| |
| Rt | 4.55 |
| Rt HDX | 3.57 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 336.15540 | 318.14483 | 319.12885 | 353.18195 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 407.19251 | 389.18195 | 390.16596 | 424.21906 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 478.26601 | 460.25545 | 461.23946 | 495.29256 | 271.24924 | 254.22269 | 288.27579 |
| 5 | 535.32386 | 517.31329 | 518.29731 | 552.35041 | 385.29217 | 368.26562 | 402.31871 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 552.35041 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 276.67884 | | 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 |