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Ac3334Gu
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2005 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₁₆H₃₇N₇O |
| CAS | 864812-15-7 |
| SMILES | NC(NCCCCNCCCNCCCNCCCNC(C)=O)=N |
| InChI | InChI=1S/C16H37N7O/c1-15(24)22-14-6-12-21-11-5-10-20-9-4-8-19-7-2-3-13-23-16(17)18/h19-21H,2-14H2,1H3,(H,22,24)(H4,17,18,23) |
| |
| Precursor 1 [M+H]⁺ | 344.31324 |
| Precursor 2 [M+2H]²⁺ | 172.66026 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 353.36973 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 177.69164 |
| Precursor HDX 3 | |
| |
| Rt | 1.27 |
| Rt HDX | 1.18 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 100.07569 | 82.06513 | 83.04914 | 117.10224 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 157.13354 | 139.12297 | 140.10699 | 174.16009 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 214.19139 | 196.18082 | 197.16484 | 231.21794 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 285.26489 | 267.25432 | 268.23834 | 344.31324 | 285.27612 | 268.24957 | 302.30267 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 344.31324 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 172.66026 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 344.31324 | | 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 |
|---|
| New linear polyamine derivatives in spider venoms | M. Tzouros, S. Chesnov, S. Bienz, M. Hesse, L. Bigler, Toxicon 2005, 46, 350-354 | P. luctuosa | | 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 | P. luctuosa | | 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 | 2005 / M. Tzouros |