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PA3(OH)3334
3334.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2005 / A. aperta & H. curta |
| Synonym | — |
| Molecular formula | C₁₆H₄₀N₆O |
| CAS | 864812-17-9 |
| SMILES | NCCCN(O)CCCNCCCNCCCNCCCCN |
| InChI | InChI=1S/C16H40N6O/c17-7-1-2-9-19-10-4-11-20-12-5-13-21-14-6-16-22(23)15-3-8-18/h19-21,23H,1-18H2 |
| |
| Precursor 1 [M+H]⁺ | 333.33364 |
| Precursor 2 [M+2H]²⁺ | 167.17046 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 342.39013 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 172.20184 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 58.06513 | 40.05456 | 41.03858 | 91.08659 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 131.11789 | 113.10732 | 114.09134 | 148.14444 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 188.17574 | 170.16517 | 171.14919 | 205.20229 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 245.23359 | 227.22302 | 228.20704 | 262.26014 | 243.25432 | 226.22777 | 276.27579 |
| 5 | 316.30709 | 298.29652 | 299.28054 | 333.33364 | 316.30709 | 299.28054 | 333.33364 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | 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 |
Spider species
| Spider species | Family | Discovered |
|---|
| Agelenopsis aperta | Agelenidae | 2005 / M. Tzouros |
| Hololena curta | Agelenidae | 2005 / M. Tzouros |