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2,4-(OH)₂-PhAcAsn5ßAla43ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 707 / NPTX 707A |
| Molecular formula | C₃₄H₆₁N₉O₇ |
| CAS | — |
| SMILES | O=C(CC1=CC=C(O)C=C1O)NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNCCCNC(CCNCCCCN)=O)=O)=O |
| InChI | InChI=1S/C34H61N9O7/c35-13-2-5-14-38-21-12-32(48)41-20-8-17-37-15-6-7-16-39-22-11-31(47)40-18-3-1-4-19-42-34(50)28(25-30(36)46)43-33(49)23-26-9-10-27(44)24-29(26)45/h9-10,24,28,37-39,44-45H,1-8,11-23,25,35H2,(H2,36,46)(H,40,47)(H,41,48)(H,42,50)(H,43,49) |
| |
| Precursor 1 [M+H]⁺ | 708.47667 |
| Precursor 2 [M+2H]²⁺ | 354.74197 |
| Precursor 3 | |
| |
| HDX | 13 |
| Precursor HDX 1 [M(D₁₃)+D]⁺ | 722.56455 |
| Precursor HDX 2 [M(D₁₃)+2D]²⁺ | 362.28905 |
| 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 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 421.20816 | 403.19760 | 404.18161 | 438.23471 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 492.28166 | 474.27110 | 475.25511 | 509.30821 | 271.24924 | 254.22269 | 288.27579 |
| 5 | 549.33951 | 531.32894 | 532.31296 | 566.36606 | 342.28635 | 325.25980 | 359.31290 |
| 6 | 620.37662 | 602.36606 | 603.35007 | 637.40317 | 427.37550 | 410.34895 | 444.40205 |
| 7 | 691.45012 | 673.43956 | 674.42357 | 708.47667 | 541.41843 | 524.39188 | 558.44498 |
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 707 | 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 707A | 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 707A | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephila clavata | Araneidae | 2005 / M. S. Palma |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |
| Nephilingis cruentata | Araneidae | 2005 / M. S. Palma |