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2,4-(OH)₂-PhAcAsn5Gly4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 494 / NPTX 494C |
| Molecular formula | C₂₃H₃₈N₆O₆ |
| CAS | — |
| SMILES | O=C(CC1=CC=C(O)C=C1O)NC(CC(N)=O)C(NCCCCCNC(CNCCCCN)=O)=O |
| InChI | InChI=1S/C23H38N6O6/c24-8-2-5-9-26-15-22(34)27-10-3-1-4-11-28-23(35)18(14-20(25)32)29-21(33)12-16-6-7-17(30)13-19(16)31/h6-7,13,18,26,30-31H,1-5,8-12,14-15,24H2,(H2,25,32)(H,27,34)(H,28,35)(H,29,33) |
| |
| Precursor 1 [M+H]⁺ | 495.29256 |
| Precursor 2 [M+2H]²⁺ | 248.14992 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX 1 [M(D₁₀)+D]⁺ | 506.36160 |
| Precursor HDX 2 [M(D₁₀)+D]²⁺ | 254.18758 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 350.17105 | 332.16048 | 333.14450 | 367.19760 | 129.10224 | 112.07569 | 146.12879 |
| 3 | 407.19251 | 389.18195 | 390.16596 | 424.21906 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 478.26601 | 460.25545 | 461.23946 | 495.29256 | 328.23432 | 311.20777 | 345.26087 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Detection of new spider toxins from a Nephilengys borbonica venom gland using on-line µ-column HPLC continuous flow (FRIT) FAB LC/MS and MS/MS | Y. Itagaki, T. Fujita, H. Naoki, T. Yasuhara, M. Andriantsiferana, T. Nakajima, Nat. Toxins 1997, 5, 1-13 | N. borbonica | NPTX 494 | LC-FAB-MS | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | N. borbonica | NPTX 494C | 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 494C | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephila clavata | Araneidae | 2005 / M. S. Palma |
| Trichonephila inaurata madagascariensis | Araneidae | 2005 / M. S. Palma |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |
| Nephilingis cruentata | Araneidae | 2005 / M. S. Palma |