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4-OH-Bz343
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₁₇H₃₀N₄O₂ |
| CAS | 130210-44-5 |
| SMILES | NCCCNCCCCNCCCNC(C1=CC=C(O)C=C1)=O |
| InChI | InChI=1S/C17H30N4O2/c18-9-3-12-19-10-1-2-11-20-13-4-14-21-17(23)15-5-7-16(22)8-6-15/h5-8,19-20,22H,1-4,9-14,18H2,(H,21,23) |
| |
| Precursor 1 [M+H]⁺ | 323.24415 |
| Precursor 2 [M+2H]²⁺ | 162.12571 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 330.28809 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 166.15082 |
| Precursor HDX 3 | |
| |
| Rt | 3.18 |
| Rt HDX | 2.38 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 195.11280 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 249.15975 | 231.14919 | 232.13321 | 266.18630 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 306.21760 | 288.20704 | 289.19105 | 323.24415 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 323.24415 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 323.24415 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 323.24415 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Die Giftsekrete der Vogelspinnen | F. G. Fischer, H. Bohn, Justus Liebigs Annalen der Chemie 1957, 603, 232-250 | V. dubius | | first hints for APA, structure unproven | link |
| Antropod toxins as leads for novel insecticides: An assessment of polyamine amides as glutamate antagonists | I. S. Blagbrough, P. T. H. Brackley, M. Bruce, B. W. Bycroft, A. J. Mather, S. Millington, H. L. Sudan, P. N. R. Usherwood, Toxicon 1992, 30, 303-322 | | | 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 aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |