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IndAcAsn5ßAla4ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 799 / NPTX 799D |
| Molecular formula | C₄₀H₆₉N₁₁O₆ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C40H69N11O6/c41-17-4-7-18-43-25-14-37(54)47-22-10-9-20-45-27-16-38(55)48-23-11-8-19-44-26-15-36(53)46-21-5-1-6-24-49-40(57)34(29-35(42)52)51-39(56)28-31-30-50-33-13-3-2-12-32(31)33/h2-3,12-13,30,34,43-45,50H,1,4-11,14-29,41H2,(H2,42,52)(H,46,53)(H,47,54)(H,48,55)(H,49,57)(H,51,56) |
| |
| Precursor 1 [M+H]⁺ | 800.55051 |
| Precursor 2 [M+2H]²⁺ | 400.77889 |
| Precursor 3 | |
| |
| HDX | 13 |
| Precursor HDX 1 [M(D₁₃)+D]⁺ | 814.63838 |
| Precursor HDX 2 [M(D₁₃)+2D]²⁺ | 408.32597 |
| 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 | 357.19212 | 339.18155 | 340.16557 | 374.21867 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 428.22923 | 410.21867 | 411.20268 | 445.25578 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 499.30273 | 481.29217 | 482.27618 | 516.32928 | 285.22850 | 268.20195 | 302.25505 |
| 5 | 570.33984 | 552.32928 | 553.31329 | 587.36639 | 356.30200 | 339.27545 | 373.32855 |
| 6 | 641.41334 | 623.40278 | 624.38679 | 658.43989 | 427.33912 | 410.31257 | 444.36566 |
| 7 | 712.45046 | 694.43989 | 695.42391 | 729.47701 | 512.42827 | 495.40172 | 529.45481 |
| 8 | 783.52396 | 765.51339 | 766.49741 | 800.55051 | 626.47119 | 609.44464 | 643.49774 |
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 799 | 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 799D | 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 799D | 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 |