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IndAcAsn533
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 487C |
| Molecular formula | C₂₅H₄₁N₇O₃ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNCCCNCCCN)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C25H41N7O3/c26-10-6-12-29-14-7-13-28-11-4-1-5-15-30-25(35)22(17-23(27)33)32-24(34)16-19-18-31-21-9-3-2-8-20(19)21/h2-3,8-9,18,22,28-29,31H,1,4-7,10-17,26H2,(H2,27,33)(H,30,35)(H,32,34) |
| |
| Precursor 1 [M+H]⁺ | 488.33436 |
| Precursor 2 [M+2H]²⁺ | 244.67082 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 498.39713 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 250.20534 |
| Precursor HDX 3 | |
| |
| Rt | 9.53 |
| Rt HDX | 8.25 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 272.10297 | 254.09240 | 255.07642 | 289.12952 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 357.19212 | 339.18155 | 340.16557 | 374.21867 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 414.24997 | 396.23940 | 397.22342 | 431.27652 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 471.30782 | 453.29725 | 454.28127 | 488.33436 | 314.25505 | 297.22850 | 331.28160 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 488.33436 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 244.67082 | | 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 487C | 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 |