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PhAcAsn433
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 434E |
| Molecular formula | C₂₂H₃₈N₆O₃ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNCCCNCCCN)=O)CC1=CC=CC=C1 |
| InChI | InChI=1S/C22H38N6O3/c23-10-6-12-26-14-7-13-25-11-4-5-15-27-22(31)19(17-20(24)29)28-21(30)16-18-8-2-1-3-9-18/h1-3,8-9,19,25-26H,4-7,10-17,23H2,(H2,24,29)(H,27,31)(H,28,30) |
| |
| Precursor 1 [M+H]⁺ | 435.30782 |
| Precursor 2 [M+2H]²⁺ | 218.15755 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 444.36431 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 223.18893 |
| Precursor HDX 3 | |
| |
| Rt | 5.52 |
| Rt HDX | 4.74 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 233.09207 | 215.08150 | 216.06552 | 250.11862 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 321.19212 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 361.22342 | 343.21285 | 344.19687 | 378.24997 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 418.28127 | 400.27070 | 401.25472 | 435.30782 | 300.23940 | 283.21285 | 317.26595 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 435.30782 | | 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 434E | 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 |