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IndAcAsn5ßAla43ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 856 / NPTX 856A |
| Molecular formula | C₄₃H₇₆N₁₂O₆ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O |
| InChI | InChI=1S/C43H76N12O6/c44-18-4-7-19-47-28-15-40(58)51-25-11-10-22-49-30-17-41(59)52-27-12-23-46-20-8-9-21-48-29-16-39(57)50-24-5-1-6-26-53-43(61)37(32-38(45)56)55-42(60)31-34-33-54-36-14-3-2-13-35(34)36/h2-3,13-14,33,37,46-49,54H,1,4-12,15-32,44H2,(H2,45,56)(H,50,57)(H,51,58)(H,52,59)(H,53,61)(H,55,60) |
| |
| Precursor 1 [M+H]⁺ | 857.60835 |
| Precursor 2 [M+2H]²⁺ | 429.30782 |
| Precursor 3 | |
| |
| HDX | 14 |
| Precursor HDX 1 [M(D₁₄)+D]⁺ | 872.70251 |
| Precursor HDX 2 [M(D₁₄)+2D]²⁺ | 437.35803 |
| 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 | 556.36058 | 538.35001 | 539.33403 | 573.38713 | 342.28635 | 325.25980 | 359.31290 |
| 6 | 627.39769 | 609.38713 | 610.37114 | 644.42424 | 413.35985 | 396.33330 | 430.38640 |
| 7 | 698.47119 | 680.46063 | 681.44464 | 715.49774 | 484.39696 | 467.37042 | 501.42351 |
| 8 | 769.50831 | 751.49774 | 752.48176 | 786.53486 | 569.48611 | 552.45957 | 586.51266 |
| 9 | 840.58181 | 822.57124 | 823.55526 | 857.60835 | 683.52904 | 666.50249 | 700.55559 |
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 856 | LC-FAB-MS/MS | 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 856A | 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 |