Navigation :
IndAcAsn433ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 757 / NPTX 757B |
| Molecular formula | C₃₈H₆₇N₁₁O₅ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCNCCCNCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O |
| InChI | InChI=1S/C38H67N11O5/c39-15-3-4-16-43-25-13-35(51)45-22-7-5-18-44-26-14-36(52)46-24-10-21-42-20-9-19-41-17-6-8-23-47-38(54)33(28-34(40)50)49-37(53)27-30-29-48-32-12-2-1-11-31(30)32/h1-2,11-12,29,33,41-44,48H,3-10,13-28,39H2,(H2,40,50)(H,45,51)(H,46,52)(H,47,54)(H,49,53) |
| |
| Precursor 1 [M+H]⁺ | 758.53994 |
| Precursor 2 [M+2H]²⁺ | 379.77361 |
| Precursor 3 | |
| |
| HDX | 13 |
| Precursor HDX 1 [M(D₁₃)+D]⁺ | 772.62782 |
| Precursor HDX 2 [[M(D₁₃)+2D]²⁺ | 387.32068 |
| 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 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 457.29217 | 439.28160 | 440.26562 | 474.31871 | 285.22850 | 268.20195 | 302.25505 |
| 5 | 528.32928 | 510.31871 | 511.30273 | 545.35583 | 342.28635 | 325.25980 | 359.31290 |
| 6 | 599.40278 | 581.39221 | 582.37623 | 616.42933 | 399.34420 | 382.31765 | 416.37075 |
| 7 | 670.43989 | 652.42933 | 653.41334 | 687.46644 | 470.41770 | 453.39115 | 487.44425 |
| 8 | 741.51339 | 723.50283 | 724.48684 | 758.53994 | 584.46063 | 567.43408 | 601.48718 |
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 757 | 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 757B | Review | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |