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4-OH-Bz3334
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2001 / A. aperta |
| Synonym | AG 379 |
| Molecular formula | C₂₀H₃₇N₅O₂ |
| CAS | 389872-48-4 |
| SMILES | O=C(NCCCNCCCNCCCNCCCCN)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C20H37N5O2/c21-10-1-2-11-22-12-3-13-23-14-4-15-24-16-5-17-25-20(27)18-6-8-19(26)9-7-18/h6-9,22-24,26H,1-5,10-17,21H2,(H,25,27) |
| |
| Precursor [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 | 3.02 |
| Rt HDX | 2.25 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 195.11280 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 235.14410 | 217.13354 | 218.11756 | 252.17065 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 292.20195 | 274.19139 | 275.17540 | 309.22850 | 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 |
|---|
| 98.09643 | y2’ |
| 115.12297 | z2’ |
| 121.02841 | a0 |
| 177.10224 | ta1-H₂O |
| 291.21794 | ta3-H₂O |
| 362.29144 | bw |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 380.30200 | | synth. 4-OH-Bz3334 | UZH Bienz lab, CHE | Y. M. Forster |
| Data | 190.65464 | | synth. 4-OH-Bz3334 | UZH Bienz lab, CHE | Y. M. Forster |
| Data | 380.30200 | 4-OH-Bz3343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 190.65464 | 4-OH-Bz3343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-Bz3343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 380.30200 | 4-OH-Bz3343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 190.65464 | 4-OH-Bz3343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-Bz3343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 380.30200 | 4-OH-Bz3343 | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 190.65464 | 4-OH-Bz3343 | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-Bz3343 | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 380.30200 | 4-OH-Bz3343 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 190.65464 | 4-OH-Bz3343 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-Bz3343 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 380.30200 | 4-OH-Bz3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 190.65464 | 4-OH-Bz3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | 4-OH-Bz3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 380.30200 | 4-OH-Bz3343 | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-Bz3343 | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| The acylpolyamines from the venom of the spider Agelenopsis aperta | S. Chesnov, L. Bigler, M. Hesse, Helv. Chim. Acta 2001, 84, 2178-2197 | A. aperta | AG 379 | APCI-MS/MS | 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 | 2001 / S. Chesnov |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |