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4-OH-Bz3433
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2002 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₀H₃₇N₅O₂ |
| CAS | 480437-06-7 |
| SMILES | O=C(NCCCNCCCCNCCCNCCCN)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C20H37N5O2/c21-10-3-13-24-15-4-14-22-11-1-2-12-23-16-5-17-25-20(27)18-6-8-19(26)9-7-18/h6-9,22-24,26H,1-5,10-17,21H2,(H,25,27) |
| |
| Precursor 1 [M+H]⁺ | 380.30200 |
| Precursor 2 [M+2H]²⁺ | 190.65464 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 388.35222 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 195.18288 |
| Precursor HDX 3 | |
| |
| Rt | 3.23 |
| Rt HDX | 2.36 |
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 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 306.21760 | 288.20704 | 289.19105 | 323.24415 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 363.27545 | 345.26489 | 346.24890 | 380.30200 | 243.25432 | 226.22777 | 260.28087 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 112.11208 | y2’ |
| 121.02841 | a0 |
| 129.13862 | z2’ |
| 177.10224 | ta1-H₂O |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 380.30200 | | synth. 4-OH-Bz3433 | UZH Bienz lab, CHE | Y. M. Forster |
| Data | 190.65464 | | synth. 4-OH-Bz3433 | UZH Bienz lab, CHE | Y. M. Forster |
| Data | 380.30200 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 380.30200 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 380.30200 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
References
| Titel | Reference | Spider | Name | Content | Link |
|---|
| Solid-phase synthesis of polyamine spider toxins and correlation with natural products by HPLC-MS/MS | N. Manov, M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Helv. Chim. Acta 2002, 85, 2827-2846 | A. aperta | | Synthesis, NMR, 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 | 2002 / N. Manov |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |