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2,4-(OH)₂-PhAcAsn5Gly4ßAla4ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 778 / NPTX 778C |
| Molecular formula | C₃₇H₆₆N₁₀O₈ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCCCNC(CNCCCCNC(CCNCCCCNC(CCNCCCCN)=O)=O)=O)=O)CC1=CC=C(O)C=C1O |
| InChI | InChI=1S/C37H66N10O8/c38-14-2-5-15-40-22-12-33(51)43-19-8-6-16-41-23-13-34(52)44-20-9-7-17-42-27-36(54)45-18-3-1-4-21-46-37(55)30(26-32(39)50)47-35(53)24-28-10-11-29(48)25-31(28)49/h10-11,25,30,40-42,48-49H,1-9,12-24,26-27,38H2,(H2,39,50)(H,43,51)(H,44,52)(H,45,54)(H,46,55)(H,47,53) |
| |
| Precursor 1 [M+H]⁺ | 779.51379 |
| Precursor 2 [M+2H]²⁺ | 390.26053 |
| Precursor 3 | |
| |
| HDX | 14 |
| Precursor HDX 1 [M(D₁₄)+D]⁺ | 794.60794 |
| Precursor HDX 2 [M(D₁₄)+2D]²⁺ | 398.31074 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 265.08190 | 247.07133 | 248.05535 | 282.10845 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 350.17105 | 332.16048 | 333.14450 | 367.19760 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 407.19251 | 389.18195 | 390.16596 | 424.21906 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 478.26601 | 460.25545 | 461.23946 | 495.29256 | 285.22850 | 268.20195 | 302.25505 |
| 5 | 549.30312 | 531.29256 | 532.27658 | 566.32967 | 356.30200 | 339.27545 | 373.32855 |
| 6 | 620.37662 | 602.36606 | 603.35007 | 637.40317 | 413.32347 | 396.29692 | 430.35001 |
| 7 | 691.41374 | 673.40317 | 674.38719 | 708.44029 | 498.41261 | 481.38607 | 515.43916 |
| 8 | 762.48724 | 744.47667 | 745.46069 | 779.51379 | 612.45554 | 595.42899 | 629.48209 |
Additional MS/MS fragments
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 778 | 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 778C | 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 778C | 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 |