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IndAcAsn433ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 615 / NPTX 615B |
| Molecular formula | C₃₁H₅₃N₉O₄ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCNCCCNCCCNC(CCNCCCCN)=O)=O |
| InChI | InChI=1S/C31H53N9O4/c32-12-3-4-13-36-20-11-29(42)37-19-8-17-35-16-7-15-34-14-5-6-18-38-31(44)27(22-28(33)41)40-30(43)21-24-23-39-26-10-2-1-9-25(24)26/h1-2,9-10,23,27,34-36,39H,3-8,11-22,32H2,(H2,33,41)(H,37,42)(H,38,44)(H,40,43) |
| |
| Precursor 1 [M+H]⁺ | 616.42933 |
| Precursor 2 [M+2H]²⁺ | 308.71830 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX 1 [M(D₁₁)+D]⁺ | 628.50465 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 315.25910 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 272.10297 | 254.09240 | 255.07642 | 289.12952 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 343.17647 | 325.16590 | 326.14992 | 360.20302 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 400.23432 | 382.22375 | 383.20777 | 417.26087 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 457.29217 | 439.28160 | 440.26562 | 474.31871 | 257.23359 | 240.20704 | 274.26014 |
| 5 | 528.32928 | 510.31871 | 511.30273 | 545.35583 | 328.30709 | 311.28054 | 345.33364 |
| 6 | 599.40278 | 581.39221 | 582.37623 | 616.42933 | 442.35001 | 425.32347 | 459.37656 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
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 615 | 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 615B | 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-615B | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Trichonephila clavipes | 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 |