Navigation :
Ac33343Ac
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2005 / H. curta |
| Synonym | — |
| Molecular formula | C₂₀H₄₄N₆O₂ |
| CAS | 864812-19-1 |
| SMILES | CC(NCCCNCCCNCCCNCCCCNCCCNC(C)=O)=O |
| InChI | InChI=1S/C20H44N6O2/c1-19(27)25-17-7-15-22-10-4-3-9-21-11-5-12-23-13-6-14-24-16-8-18-26-20(2)28/h21-24H,3-18H2,1-2H3,(H,25,27)(H,26,28) |
| |
| Precursor 1 [M+H]⁺ | 401.35985 |
| Precursor 2 [M+2H]²⁺ | 201.18356 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 408.40379 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 205.20867 |
| Precursor HDX 3 | |
| |
| Rt | 1.41 |
| Rt HDX | 1.25 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 100.07569 | 82.06513 | 83.04914 | 117.10224 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 157.13354 | 139.12297 | 140.10699 | 174.16009 | 171.14919 | 154.12264 | 188.17574 |
| 3 | 214.19139 | 196.18082 | 197.16484 | 231.21794 | 228.20704 | 211.18049 | 245.23359 |
| 4 | 285.26489 | 267.25432 | 268.23834 | 302.29144 | 285.26489 | 268.23834 | 302.29144 |
| 5 | 342.32274 | 324.31217 | 325.29619 | 401.35985 | 342.32274 | 325.29619 | 359.34929 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 112.11208 | y2’ |
| 169.16993 | y3’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 401.35985 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 401.35985 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 401.35985 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 401.35985 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 201.18356 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
References
| Titlev | 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 | 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 | 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 | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2005 / M. Tzouros |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |