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2,4-(OH)₂-PhAcAsn5ßAla3Arg
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | ? / ? |
| Synonym | Arg 650 / NPTX 650E |
| Molecular formula | C₂₉H₅₀N₁₀O₇ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(CCNCCCNC(C(N)CCCNC(N)=N)=O)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C29H50N10O7/c30-21(6-4-13-38-29(32)33)27(45)36-14-5-10-34-15-9-25(43)35-11-2-1-3-12-37-28(46)22(18-24(31)42)39-26(44)16-19-7-8-20(40)17-23(19)41/h7-8,17,21-22,34,40-41H,1-6,9-16,18,30H2,(H2,31,42)(H,35,43)(H,36,45)(H,37,46)(H,39,44)(H4,32,33,38) |
| |
| Precursor 1 [M+H]⁺ | 651.39367 |
| Precursor 2 [M+2H]²⁺ | 326.20047 |
| Precursor 3 | |
| |
| HDX | 15 |
| Precursor HDX 1 [M(D₁₅)+D]⁺ | 667.49410 |
| Precursor HDX 2 [M(D₁₅)+2D]²⁺ | 334.75383 |
| Precursor HDX 3 | |
| |
| Rt | 7.19 |
| Rt HDX | 6.04 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 214.16624 | 197.13969 | 231.19279 |
| 2 | 350.17105 | 332.16048 | 333.14450 | 367.19760 | 285.20335 | 268.17680 | 302.22990 |
| 3 | 421.20816 | 403.19760 | 404.18161 | 438.23471 | 370.29250 | 353.26595 | 387.31905 |
| 4 | 478.26601 | 460.25545 | 461.23946 | 651.39367 | 484.33543 | 467.30888 | 501.36198 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 651.39367 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 326.20047 | | 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 |
|---|
| Polyamine toxins from spiders and wasps | A. Schäfer, H. Benz, W. Fiedler, A. Guggisberg, S. Bienz, M. Hesse, The Alkaloids 1994, 45, 1-125 | A. florida & A. trifasciata | Arg 650 | Review | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | | NPTX 650E | Review | Link |
| A natural combinatorial chemistry strategy in acylpolyamine toxins from Nephilinae orb-web spiders | M. S. Palma, T. Nakajima, Toxin Rev. 2005, 24, 209-234 | div. | NPTX 650E | LC-MS | 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 |
|---|
| Argiope florida | Araneidae | ? / ? |
| Argiope trifasciata | Araneidae | ? / ? |
| Nephila clavata | Araneidae | 2005 / S. M. Palma |
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |
| Trichonephila inaurata madagascariensis | Araneidae | 2005 / S. M. Palma |
| Nephilingis cruentata | Araneidae | 1997 / M. S. Palma |