PA3334
General Description
| Name | Value |
|---|---|
| Level | S-1 / C-1 |
| Discovered | 2005 / A. aperta & H. curta |
| Synonym | Homocaldopentamine |
| Molecular formula | C₁₃H₃₃N₅ |
| CAS | 864812-09-9 |
| SMILES | NCCCNCCCNCCCNCCCCN |
| InChI | InChI=1S/C13H33N5/c14-6-1-2-8-16-10-4-12-18-13-5-11-17-9-3-7-15/h16-18H,1-15H2 |
| Precursor 1 [M+H]⁺ | 260.28087 |
| Precursor 2 [M+2H]²⁺ | 130.64407 |
| Precursor 3 | |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 268.33109 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 135.17232 |
| Precursor HDX 3 | |
| Rt | 1.03 |
| Rt HDX | 0.99 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|---|---|---|---|---|---|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 75.09167 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 115.12297 | 97.11241 | 98.09643 | 132.14952 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 172.18082 | 154.17026 | 155.15428 | 189.20737 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 243.25432 | 225.24376 | 226.22777 | 260.28087 | 243.25432 | 226.22777 | 260.28087 |
Additional MS/MS fragments
| m/z | Annotation |
|---|---|
Recorded MS/MS spectra
| Precursor | Co-eluting | Spider | Source | Author | |
|---|---|---|---|---|---|
| Data | 260.28087 | synth. PA3334 | UZH Bienz lab, CHE | Y. M. Forster | |
| Data | 260.28087 | PA3343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | PA3343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 260.28087 | PA3343 | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | PA3343 | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 260.28087 | PA3343 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | PA3343 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 260.28087 | PA3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | PA3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|---|---|---|---|---|
| Novel linear and branched polyamines in the extremely thermophilic eubacteria Thermoleophilum, Bacillus and Hydrogenobacter | K. Hamana, M. Niitsu, S. Matsuzaki, K. Samejima, Y. Igarashi, T. Kodama, Biochem. J. 1992, 284, 741-747 | — | HPLC, GC | Link | |
| Polyamine analysis for chemotaxonomy of thermophilic eubacteria: Polyamine distribution profiles within the orders Aquificales, Thermotogales, Thermodesulfobacteriales, Thermales, Thermoanaerobacteriales, Clostridiales and Bacillales | R. Hosoya, K. Hamana, M. Niitsu, T. Itho, J. Gen. Appl. Microbiol. 2004, 50, 271-287 | — | HPLC, GC | Link | |
| New linear polyamine derivatives in spider venoms | M. Tzouros, S. Chesnov, S. Bienz, M. Hesse, L. Bigler, Toxicon 2005, 46, 350-354 | A. aperta & H. curta | APCI-MS/MS (ns) | 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 | A. aperta & H. curta | 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 |
|---|---|---|
| Agelenopsis aperta | Agelenidae | 2005 / M. Tzouros |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2005 / M. Tzouros |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |