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2,4-(OH)₂-PhAcAsn53
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 423F |
| Molecular formula | C₂₀H₃₃N₅O₅ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCN)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C20H33N5O5/c21-7-4-9-23-8-2-1-3-10-24-20(30)16(13-18(22)28)25-19(29)11-14-5-6-15(26)12-17(14)27/h5-6,12,16,23,26-27H,1-4,7-11,13,21H2,(H2,22,28)(H,24,30)(H,25,29) |
| |
| Precursor 1 [M+H]⁺ | 424.25545 |
| Precursor 2 [M+2H]²⁺ | 212.63136 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 434.31821 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 218.16588 |
| Precursor HDX 3 | |
| |
| Rt | 4.36 |
| Rt HDX | 3.54 |
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 | 350.17105 | 332.16048 | 333.14450 | 367.19760 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 407.22890 | 389.21833 | 390.20235 | 424.25545 | 257.19720 | 240.17065 | 274.22375 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 424.25545 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 424.25545 | | 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 |
|---|
| Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxins | S. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156 | L. patagiatus | LF 423F | nLC-ESI-MS/MS, Amino acid analysis | 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 |
|---|
| Larinioides cornutus | Araneidae | 2020 / Y. M. Forster |
| Larinioides patagiatus | Araneidae | 2009 / S. Eichenberger |
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |