4-OH-IndAcAsn5ßAla43ßAla4
General Description
| Name | Value |
|---|---|
| Level | S-4 / C-3 |
| Discovered | 1997 / N. borbonica |
| Synonym | NPTX 730 / NPTX 730A |
| Molecular formula | C₃₆H₆₂N₁₀O₆ |
| CAS | 195884-66-3 |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NC(CC(N)=O)C(NCCCCCNC(CCNCCCCNCCCNC(CCNCCCCN)=O)=O)=O |
| InChI | InChI=1S/C36H62N10O6/c37-14-2-5-15-40-22-13-33(50)43-21-9-18-39-16-6-7-17-41-23-12-32(49)42-19-3-1-4-20-44-36(52)29(25-31(38)48)46-34(51)24-27-26-45-28-10-8-11-30(47)35(27)28/h8,10-11,26,29,39-41,45,47H,1-7,9,12-25,37H2,(H2,38,48)(H,42,49)(H,43,50)(H,44,52)(H,46,51) |
| Precursor 1 [M+H]⁺ | 731.49266 |
| Precursor 2 [M+2H]²⁺ | 366.24997 |
| Precursor 3 | |
| HDX | 13 |
| Precursor HDX 1 [M(D₁₃)+D]⁺ | 745.58053 |
| Precursor HDX 2 [M(D₁₃)+2D]²⁺ | 373.79704 |
| Precursor HDX 3 | |
| Rt | |
| Rt HDX |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|---|---|---|---|---|---|---|
| 1 | 288.09788 | 270.08732 | 271.07133 | 305.12443 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 373.18703 | 355.17647 | 356.16048 | 390.21358 | 143.11789 | 126.09134 | 160.14444 |
| 3 | 444.22415 | 426.21358 | 427.19760 | 461.25069 | 200.17574 | 183.14919 | 217.20229 |
| 4 | 515.29764 | 497.28708 | 498.27110 | 532.32419 | 271.24924 | 254.22269 | 288.27579 |
| 5 | 572.35549 | 554.34493 | 555.32894 | 589.38204 | 342.28635 | 325.25980 | 359.31290 |
| 6 | 643.39261 | 625.38204 | 626.36606 | 660.41916 | 427.37550 | 410.34895 | 444.40205 |
| 7 | 714.46611 | 696.45554 | 697.43956 | 731.49266 | 541.41843 | 524.39188 | 558.44498 |
Additional MS/MS fragments
| m/z | Annotation |
|---|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| 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 730 | Fab-MS/MS (ns) | Link |
| Mass spectrometric structure determination of spider toxins: Arginine-containing acylpolyamines from venoms of Brazilian garden spider Nephilengys cruentata | M. S. Palma, Y. Itagaki, T. Fujita, M. Hisada, H. Naoki, T. Nakajima, Nat. Toxins 1997, 5, 47-57 | N. cruentata | MS/MS (ns) | Link | |
| Structures of spider toxins: Hydroxyindole-3-acetylpolyamines and a new generalized structure of type-E compounds obtained from the venom of the Joro spider, Nephila clavata | M. Hisada, T. Fujita, H. Naoki, Y. Itagaki, H. Irie, M. Miyashita, T. Nakajima, Toxicon 1998, 36, 1115-1125 | N. clavata | NPTX 730 | CID (ns) | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | div. | NPTX 730A | 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 730A | LC-MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|---|---|
| Nephila clavata | Araneidae | 1998 / M. Hisada |
| Trichonephila inaurata madagascariensis | Araneidae | 2005 / M. S. Palma |
| Nephilingis borbonica | Araneidae | 1997 / Y. Itagaki |
| Nephilingis cruentata | Araneidae | 1997 / M. S. Palma |