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4-OH-Bz3333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / div. |
| Synonym | — |
| Molecular formula | C₁₉H₃₅N₅O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCNCCCN)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C19H35N5O2/c20-9-1-10-21-11-2-12-22-13-3-14-23-15-4-16-24-19(26)17-5-7-18(25)8-6-17/h5-8,21-23,25H,1-4,9-16,20H2,(H,24,26) |
| |
| Precursor 1 [M+H]⁺ | 366.28635 |
| Precursor 2 [M+2H]²⁺ | 183.64681 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 374.33657 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 188.17506 |
| Precursor HDX 3 | |
| |
| Rt | 3.00 |
| Rt HDX | 2.21 |
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 | 235.14410 | 217.13354 | 218.11756 | 252.17065 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 292.20195 | 274.19139 | 275.17540 | 309.22850 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 349.25980 | 331.24924 | 332.23325 | 366.28635 | 229.23867 | 212.21212 | 246.26522 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 366.28635 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 366.28635 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 366.28635 | | 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 |
|---|
| 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 |
|---|
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |