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2,4-(OH)₂-PhAcAsn533
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 480C |
| Molecular formula | C₂₃H₄₀N₆O₅ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCNCCCN)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C23H40N6O5/c24-8-4-10-27-12-5-11-26-9-2-1-3-13-28-23(34)19(16-21(25)32)29-22(33)14-17-6-7-18(30)15-20(17)31/h6-7,15,19,26-27,30-31H,1-5,8-14,16,24H2,(H2,25,32)(H,28,34)(H,29,33) |
| |
| Precursor 1 [M+H]⁺ | 481.31329 |
| Precursor 2 [M+2H]²⁺ | 241.16029 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX 1 [M(D₁₀)+D]⁺ | 492.38234 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 247.19795 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
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 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 407.22890 | 389.21833 | 390.20235 | 424.25545 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 464.28675 | 446.27618 | 447.26020 | 481.31329 | 314.25505 | 297.22850 | 331.28160 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
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 480C | nLC-ESI-MS/MS, Amino acid analysis | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Larinioides patagiatus | Araneidae | 2009 / S. Eichenberger |