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4-OH-Bz35(4-OH-Bz)
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Drassodes sp. |
| Synonym | DR 399 |
| Molecular formula | C₂₂H₂₉N₃O₄ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCCNC(C1=CC=C(O)C=C1)=O)C2=CC=C(O)C=C2 |
| InChI | InChI=1S/C22H29N3O4/c26-19-9-5-17(6-10-19)21(28)24-15-3-1-2-13-23-14-4-16-25-22(29)18-7-11-20(27)12-8-18/h5-12,23,26-27H,1-4,13-16H2,(H,24,28)(H,25,29) |
| |
| Precursor 1 [M+H]⁺ | 400.22308 |
| Precursor 2 [M+2H]²⁺ | 200.61518 |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX 1 [M(D₅)+D]⁺ | 406.26074 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 204.13715 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 195.11280 | 206.11756 | 189.09101 | 223.14410 |
| 2 | 263.17540 | 245.16484 | 246.14886 | 400.22308 | 263.17540 | 246.14886 | 280.20195 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxins | S. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156 | Drassodes sp. | DR 399 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Drassodes sp. | Gnaphosidae | 2009 / S. Eichenberger |