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2,5-(OH)₂-Bz343(4-OH-Bz)
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Drassodes sp. |
| Synonym | DR 458 |
| Molecular formula | C₂₄H₃₄N₄O₅ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCNCCCNC(C1=CC=C(O)C=C1)=O)C2=C(O)C=CC(O)=C2 |
| InChI | InChI=1S/C24H34N4O5/c29-19-7-5-18(6-8-19)23(32)27-15-3-13-25-11-1-2-12-26-14-4-16-28-24(33)21-17-20(30)9-10-22(21)31/h5-10,17,25-26,29-31H,1-4,11-16H2,(H,27,32)(H,28,33) |
| |
| Precursor 1 [M+H]⁺ | 459.26020 |
| Precursor 2 [M+2H]²⁺ | 230.13374 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 467.31041 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 234.66198 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 194.08117 | 176.07060 | 177.05462 | 211.10772 | 178.08626 | 161.05971 | 195.11280 |
| 2 | 265.15467 | 247.14410 | 248.12812 | 282.18122 | 249.15975 | 232.13321 | 266.18630 |
| 3 | 322.21252 | 304.20195 | 305.18597 | 459.26020 | 306.21760 | 289.19105 | 323.24415 |
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 458 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Drassodes sp. | Gnaphosidae | 2009 / S. Eichenberger |