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2,4-(OH)₂-PhAcAsn5Gly4ßAla4
General Description
| Name | Value |
|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 636 / NPTX 636C |
| Molecular formula | C₃₀H₅₂N₈O₇ |
| CAS | — |
| SMILES | O=C(CC1=CC=C(O)C=C1O)NC(CC(N)=O)C(NCCCCCNC(CNCCCCNC(CCNCCCCN)=O)=O)=O |
| InChI | InChI=1S/C30H52N8O7/c31-11-2-5-12-33-17-10-27(42)35-15-7-6-13-34-21-29(44)36-14-3-1-4-16-37-30(45)24(20-26(32)41)38-28(43)18-22-8-9-23(39)19-25(22)40/h8-9,19,24,33-34,39-40H,1-7,10-18,20-21,31H2,(H2,32,41)(H,35,42)(H,36,44)(H,37,45)(H,38,43) |
| |
| Precursor 1 [M+H]⁺ | 637.40317 |
| Precursor 2 [M+2H]²⁺ | 319.20522 |
| Precursor 3 | |
| |
| HDX | 12 |
| Precursor HDX 1 [M(D₁₂)+D]⁺ | 650.48477 |
| Precursor HDX 2 [M(D₁₂)+2D]²⁺ | 326.24916 |
| 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 | 271.21285 | 254.18630 | 288.23940 |
| 5 | 549.30312 | 531.29256 | 532.27658 | 566.32967 | 356.30200 | 339.27545 | 373.32855 |
| 6 | 620.37662 | 602.36606 | 603.35007 | 637.40317 | 470.34493 | 453.31838 | 487.37148 |
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 636 | 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 636C | 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 636C | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Nephila clavata | Araneidae | 2005 / M. S. Palma |
| Trichonephila inaurata madagascariensis | Araneidae | 2005 / M. S. Palma |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |
| Nephilingis cruentata | Araneidae | 2005 / M. S. Palma |