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4-OH-Bz334
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₁₇H₃₀N₄O₂ |
| CAS | — |
| SMILES | NCCCCNCCCNCCCNC(C1=CC=C(O)C=C1)=O |
| InChI | InChI=1S/C17H30N4O2/c18-9-1-2-10-19-11-3-12-20-13-4-14-21-17(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 | 3.03 |
| Rt HDX | 2.29 |
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 | 306.21760 | 288.20704 | 289.19105 | 323.24415 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 121.02841 | a0 |
| 177.10224 | ta1-H₂O |
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 |
| Data | 323.24415 | | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |