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IndAcAsn5ßAla4ßAla4ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 941 / NPTX 941D |
| Molecular formula | C₄₇H₈₃N₁₃O₇ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNC(CCNCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C47H83N13O7/c48-20-4-7-21-50-30-16-43(63)55-26-11-9-23-52-32-18-45(65)57-28-13-10-24-53-33-19-44(64)56-27-12-8-22-51-31-17-42(62)54-25-5-1-6-29-58-47(67)40(35-41(49)61)60-46(66)34-37-36-59-39-15-3-2-14-38(37)39/h2-3,14-15,36,40,50-53,59H,1,4-13,16-35,48H2,(H2,49,61)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,67)(H,60,66) |
| |
| Precursor 1 [M+H]⁺ | 942.66112 |
| Precursor 2 [M+2H]²⁺ | 471.83420 |
| Precursor 3 | |
| |
| HDX | 15 |
| Precursor HDX 1 [M(D₁₅)+D]⁺ | 958.76155 |
| Precursor HDX 2 [M(D₁₅)+2D]²⁺ | 480.38755 |
| Precursor HDX 3 | |
| |
| Rt | 12.79 |
| Rt HDX | 11.52 |
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 | 498.41261 | 481.38607 | 515.43916 |
| 8 | 783.52396 | 765.51339 | 766.49741 | 800.55051 | 569.44973 | 552.42318 | 586.47628 |
| 9 | 854.56107 | 836.55051 | 837.53452 | 871.58762 | 654.53888 | 637.51233 | 671.56543 |
| 10 | 925.63457 | 907.62400 | 908.60802 | 942.66112 | 768.58181 | 751.55526 | 785.60835 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 942.66112 | | T. clavipes | Spider Pharm, USA | Y. M. Forster |
| Data | 471.83420 | | 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 |
|---|
| 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 941 | 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 941D | 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 941D | 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 |
|---|
| Nephila clavata | Araneidae | 2005 / M. S. Palma |
| Trichonephila clavipes | Araneidae | 2020 / Y. M. Forster |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |
| Nephilingis cruentata | Araneidae | 2005 / M. S. Palma |