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4-OH-IndAcAsn3(Me)43
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2006 / L. patagiatus |
| Synonym | LF 503A |
| Molecular formula | C₂₅H₄₁N₇O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCN(C)CCCCNCCCN)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C25H41N7O4/c1-32(13-3-2-10-28-11-5-9-26)14-6-12-29-25(36)20(16-22(27)34)31-23(35)15-18-17-30-19-7-4-8-21(33)24(18)19/h4,7-8,17,20,28,30,33H,2-3,5-6,9-16,26H2,1H3,(H2,27,34)(H,29,36)(H,31,35) |
| |
| Precursor 1 [M+H]⁺ | 504.32928 |
| Precursor 2 [M+2H]²⁺ | 252.66828 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 514.39205 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 258.20280 |
| Precursor HDX 3 | |
| |
| Rt | 5.19 |
| Rt HDX | 4.19 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 345.15573 | 327.14517 | 328.12918 | 376.19793 | 129.13862 | 112.11208 | 160.18082 |
| 3 | 430.24488 | 412.23432 | 413.21833 | 447.27143 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 487.30273 | 469.29217 | 470.27618 | 504.32928 | 314.25505 | 297.22850 | 331.28160 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 504.32928 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 252.66828 | | 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 |
|---|
| Structure elucidation of polyamine toxins in the venom of the spider Larinioides folium | S. Eichenberger, L. Bigler, S. Bienz, Helv. Chim. Acta 2007, 61, 161-164 | L. patagiatus | LF 503A | ESI-MS/MS | 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 503A | nLC-ESI-MS/MS, Amino acid anlaysis | 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 | 2006 / S. Eichenberger |