Navigation :
4-OH-IndAc3(OH)334Gu
334Gu.png)
334Gu_Ea.png?classes=border)
334Gu_Ea_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2000 / P. luctuosa |
| Synonym | PB 490 |
| Molecular formula | C₂₄H₄₂N₈O₃ |
| CAS | 333401-97-1 |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCN(O)CCCNCCCNCCCCNC(N)=N |
| InChI | InChI=1S/C24H42N8O3/c25-24(26)30-13-2-1-9-27-10-4-11-28-12-5-15-32(35)16-6-14-29-22(34)17-19-18-31-20-7-3-8-21(33)23(19)20/h3,7-8,18,27-28,31,33,35H,1-2,4-6,9-17H2,(H,29,34)(H4,25,26,30) |
| |
| Precursor 1 [M+H]⁺ | 491.34526 |
| Precursor 2 [M+2H]²⁺ | 246.17627 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX 1 [M(D₁₀)+D]⁺ | 502.41431 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 252.21393 |
| Precursor HDX 3 | |
| |
| Rt | 8.54 |
| Rt HDX | 6.67 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 321.19212 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 361.22342 | 343.21285 | 344.19687 | 378.24997 | 228.21827 | 211.19172 | 261.23974 |
| 4 | 432.29692 | 414.28635 | 415.27037 | 491.34526 | 301.27104 | 284.24449 | 318.29759 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 491.34526 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 246.17627 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 491.34526 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 246.17627 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| The spider Paracoelotes birulai: Detection and structural elucidation of new acylpolyamines by on-line coupled HPLC-APCI-MS and HPLC-APCI-MS/MS | S. Chesnov, L. Bigler, M. Hesse, Helv. Chim. Acta 2000, 83, 3295-3305 | P. luctuosa | PB 490 | APCI-MS/MS | Link |
| A template approach for the characterization of linear polyamines and derivatives in spider venom | M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Eur. J. Mass Spectrom. 2013, 19, 57-69 | P. luctuosa | PB 490 | APCI-MS/MS | Link |
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2000 / S. Chesnov |