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4-OH-IndAcAsn343
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2009 / L. patagiatus |
| Synonym | LF 489D |
| Molecular formula | C₂₄H₃₉N₇O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCNCCCCNCCCN)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C24H39N7O4/c25-8-4-11-27-9-1-2-10-28-12-5-13-29-24(35)19(15-21(26)33)31-22(34)14-17-16-30-18-6-3-7-20(32)23(17)18/h3,6-7,16,19,27-28,30,32H,1-2,4-5,8-15,25H2,(H2,26,33)(H,29,35)(H,31,34) |
| |
| Precursor 1 [M+H]⁺ | 490.31363 |
| Precursor 2 [M+2H]²⁺ | 245.66045 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX 1 [M(D₁₀)+D]⁺ | 501.38267 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 251.69811 |
| Precursor HDX 3 | |
| |
| Rt | 5.24 |
| Rt HDX | 4.18 |
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 | 362.18228 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 416.22923 | 398.21867 | 399.20268 | 433.25578 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 473.28708 | 455.27652 | 456.26053 | 490.31363 | 300.23940 | 283.21285 | 317.26595 |
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 | 490.31363 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 245.66045 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 490.31363 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | T. clavipes | 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 489D | 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 |
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |