Ac334
General Description
| Name | Value |
|---|---|
| Level | S-1 / C-1 |
| Discovered | 2020 / A. potteri |
| Synonym | N-acetylthermospermine |
| Molecular formula | C₁₂H₂₈N₄O |
| CAS | 1014606-69-9 |
| SMILES | CC(NCCCNCCCNCCCCN)=O |
| InChI | InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-9-4-8-14-7-3-2-6-13/h14-15H,2-11,13H2,1H3,(H,16,17) |
| Precursor 1 [M+H]⁺ | 245.23359 |
| Precursor 2 [M+2H]²⁺ | 123.12043 |
| Precursor 3 | |
| HDX | 5 |
| Precursor HDX 1 [M(D₅)+D]⁺ | 251.27125 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 126.64240 |
| Precursor HDX 3 | |
| Rt | 1.17 |
| Rt HDX | 1.11 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|---|---|---|---|---|---|---|
| 1 | 100.07569 | 82.06513 | 83.04914 | 117.10224 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 157.13354 | 139.12297 | 140.10699 | 174.16009 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 228.20704 | 210.19647 | 211.18049 | 245.23359 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
| m/z | Annotation |
|---|---|
Recorded MS/MS spectra
| Precursor | Co-eluting | Spider | Source | Author | |
|---|---|---|---|---|---|
| Data | 245.23359 | Ac343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | Ac343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|---|---|---|---|---|
| Formation of spermidine or norspermidine from synthethic diacetylpolyamines by acetylpolyamine oxidase in cultured cells | K. Takao, T. Ozawa, S. Shibata, M. Wada, Y. Sugita, A. Shirahata, K. Samejima, Biol. Pharm. Bull. 2007, 30, 2389-2393 | Synthesis, Activity-studies | Link | ||
| Identification of a new endogenous metabolite and the characterization of its protein interactions through an immobilization approach | J. Kalisiak, S. A. Trauger, E. Kalisiak, H. Morita, V. V. Fokin, M. W. W. Adams, K. B. Sharpless, G. Siuzdak, JACS 2009, 131, 378-386 | N-acetylthermospermine (18) | Synthesis, NMR, ESI-MS/MS | Link | |
| A conceptual model of the polyamine binding site of N1-acetylpolyamine oxidase developed from a study of polyamine derivatives | K. Takao, S. Shibata, T. Ozawa, M. Wada, Y. Sugitia, K. Samejima, A. Shirahata, Amino acids 2009, 37, 401-405 | Activity-studies | 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 potteri | Agelenidae | 2020 / Y. M. Forster |