Navigation :
4-OH-PhAcAsn433
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 450E |
| Molecular formula | C₂₂H₃₈N₆O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCNCCCNCCCN)=O)CC1=CC=C(O)C=C1 |
| InChI | InChI=1S/C22H38N6O4/c23-9-3-11-26-13-4-12-25-10-1-2-14-27-22(32)19(16-20(24)30)28-21(31)15-17-5-7-18(29)8-6-17/h5-8,19,25-26,29H,1-4,9-16,23H2,(H2,24,30)(H,27,32)(H,28,31) |
| |
| Precursor 1 [M+H]⁺ | 451.30273 |
| Precursor 2 [M+2H]²⁺ | 226.15500 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 461.36550 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 231.68953 |
| Precursor HDX 3 | |
| |
| Rt | 3.13 |
| Rt HDX | 2.54 |
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 | 320.16048 | 302.14992 | 303.13393 | 337.18703 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 377.21833 | 359.20777 | 360.19178 | 394.24488 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 434.27618 | 416.26562 | 417.24963 | 451.30273 | 300.23940 | 283.21285 | 317.26595 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 451.30328 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 226.15555 | | 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 450E | 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 |