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2,4-(OH)₂-PhAcAsn34ßAla3
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / T. clavipes |
| Synonym | — |
| Molecular formula | C₂₅H₄₃N₇O₆ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCNCCCCNC(CCNCCCN)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C25H43N7O6/c26-8-3-10-29-14-7-23(36)30-12-2-1-9-28-11-4-13-31-25(38)20(17-22(27)35)32-24(37)15-18-5-6-19(33)16-21(18)34/h5-6,16,20,28-29,33-34H,1-4,7-15,17,26H2,(H2,27,35)(H,30,36)(H,31,38)(H,32,37) |
| |
| Precursor 1 [M+H]⁺ | 538.33476 |
| Precursor 2 [M+2H]²⁺ | 269.67102 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX [M(D₁₁)+D]⁺ | 550.41008 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 276.21182 |
| Precursor HDX 3 | |
| |
| Rt | 3.89 |
| Rt HDX | 3.01 |
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 | 322.13975 | 304.12918 | 305.11320 | 339.16630 | 129.10224 | 112.07569 | 146.12879 |
| 3 | 393.21325 | 375.20268 | 376.18670 | 410.23980 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 464.25036 | 446.23980 | 447.22381 | 481.27691 | 257.23359 | 240.20704 | 274.26014 |
| 5 | 521.30821 | 503.29764 | 504.28166 | 538.33476 | 371.27652 | 354.24997 | 388.30306 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 38.33476 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 269.67102 | | 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 |