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IndAcAsn5ßAla43ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 714 / NPTX 714A |
| Molecular formula | C₃₆H₆₂N₁₀O₅ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNCCCNC(CCNCCCCN)=O)=O)=O |
| InChI | InChI=1S/C36H62N10O5/c37-15-4-7-16-40-23-14-34(49)43-22-10-19-39-17-8-9-18-41-24-13-33(48)42-20-5-1-6-21-44-36(51)31(26-32(38)47)46-35(50)25-28-27-45-30-12-3-2-11-29(28)30/h2-3,11-12,27,31,39-41,45H,1,4-10,13-26,37H2,(H2,38,47)(H,42,48)(H,43,49)(H,44,51)(H,46,50) |
| |
| Precursor 1 [M+H]⁺ | 715.49774 |
| Precursor 2 [M+2H]²⁺ | 358.25251 |
| Precursor 3 | |
| |
| HDX | 12 |
| Precursor HDX 1 [M(D₁₂)+D]⁺ | 728.57934 |
| Precursor HDX 2 [M(D₁₂)+2D]²⁺ | 365.29645 |
| 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 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 499.30273 | 481.29217 | 482.27618 | 516.32928 | 271.24924 | 254.22269 | 288.27579 |
| 5 | 556.36058 | 538.35001 | 539.33403 | 573.38713 | 342.28635 | 325.25980 | 359.31290 |
| 6 | 627.39769 | 609.38713 | 610.37114 | 644.42424 | 427.37550 | 410.34895 | 444.40205 |
| 7 | 698.47119 | 680.46063 | 681.44464 | 715.49774 | 541.41843 | 524.39188 | 558.44498 |
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 714 | FAB-MS/MS (ns) | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | N. borbonica | NPTX 714A | 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 714A | 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 |