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4-OH-Bz3(OH)3
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / div. |
| Synonym | — |
| Molecular formula | C₁₃H₂₁N₃O₃ |
| CAS | — |
| SMILES | NCCCN(O)CCCNC(C1=CC=C(O)C=C1)=O |
| InChI | InChI=1S/C13H21N3O3/c14-7-1-9-16(19)10-2-8-15-13(18)11-3-5-12(17)6-4-11/h3-6,17,19H,1-2,7-10,14H2,(H,15,18) |
| |
| precursor 1 [M+H]⁺ | 268.16557 |
| precursor 2 [M+2H]²⁺ | 134.58642 |
| precursor 3 | |
| |
| HDX | 5 |
| precursor HDX [M(D₅)+D]⁺ | 274.20323 |
| precursor HDX 2 [M(D₅)+2D]²⁺ | 138.10839 |
| precursor HDX 3 | |
| |
| Rt | 4.23 |
| Rt HDX | 3.14 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 211.10772 | 58.06513 | 41.03858 | 91.08659 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 268.16557 | 131.11789 | 114.09134 | 148.14444 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 268.16557 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 268.16557 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 268.16557 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | 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 potteri | Agelenidae | 2020 / Y. M. Forster |
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |