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4-OH-PhAcAsn3(Me)43
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 464A |
| Molecular formula | C₂₃H₄₀N₆O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCN(C)CCCCNCCCN)=O)CC1=CC=C(O)C=C1 |
| InChI | InChI=1S/C23H40N6O4/c1-29(14-3-2-11-26-12-4-10-24)15-5-13-27-23(33)20(17-21(25)31)28-22(32)16-18-6-8-19(30)9-7-18/h6-9,20,26,30H,2-5,10-17,24H2,1H3,(H2,25,31)(H,27,33)(H,28,32) |
| |
| Precursor 1 [M+H]⁺ | 465.31838 |
| Precursor 2 [M+2H]²⁺ | 233.16283 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 474.37487 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 238.19421 |
| Precursor HDX 3 | |
| |
| Rt | 2.78 |
| Rt HDX | 2.25 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 249.08698 | 231.07642 | 232.06043 | 266.11353 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 306.14483 | 288.13427 | 289.11828 | 337.18703 | 129.13862 | 112.11208 | 160.18082 |
| 3 | 391.23398 | 373.22342 | 374.20743 | 408.26053 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 448.29183 | 430.28127 | 431.26528 | 465.31838 | 314.25505 | 297.22850 | 331.28160 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 465.31838 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | 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 464A | 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 |