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2,5-(OH)₂-Bz5333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta |
| Synonym | — |
| Molecular formula | C₂₁H₃₉N₅O₃ |
| CAS | — |
| SMILES | O=C(C1=C(O)C=CC(O)=C1)NCCCCCNCCCNCCCNCCCN |
| InChI | InChI=1S/C21H39N5O3/c22-9-4-11-24-13-6-15-25-14-5-12-23-10-2-1-3-16-26-21(29)19-17-18(27)7-8-20(19)28/h7-8,17,23-25,27-28H,1-6,9-16,22H2,(H,26,29) |
| |
| Precursor 1 [M+H]⁺ | 410.31257 |
| Precursor 2 [M+2H]²⁺ | 205.65992 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 419.36906 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 210.69131 |
| Precursor HDX 3 | |
| |
| Rt | 8.17 |
| Rt HDX | 6.50 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 222.11247 | 204.10191 | 205.08592 | 239.13902 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 279.17032 | 261.15975 | 262.14377 | 296.19687 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 336.22817 | 318.21760 | 319.20162 | 353.25472 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 393.28602 | 375.27545 | 376.25947 | 410.31257 | 257.26997 | 240.24342 | 274.29652 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 410.31257 | | 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 |
|---|
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |