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4-OH-Bz433
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₁₇H₃₀N₄O₂ |
| CAS | — |
| SMILES | NCCCNCCCNCCCCNC(C1=CC=C(O)C=C1)=O |
| InChI | InChI=1S/C17H30N4O2/c18-9-3-11-20-13-4-12-19-10-1-2-14-21-17(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 | 3.77 |
| Rt HDX | 2.87 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 192.10191 | 174.09134 | 175.07536 | 209.12845 | 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 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 112.11208 | y2’ |
| 121.02841 | a0 |
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 |