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4-OH-Bz353(4-OH-Bz)
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Drassodes sp. |
| Synonym | DR 456 |
| Molecular formula | C₂₅H₃₆N₄O₄ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCCNCCCNC(C1=CC=C(O)C=C1)=O)C2=CC=C(O)C=C2 |
| InChI | InChI=1S/C25H36N4O4/c30-22-10-6-20(7-11-22)24(32)28-18-4-16-26-14-2-1-3-15-27-17-5-19-29-25(33)21-8-12-23(31)13-9-21/h6-13,26-27,30-31H,1-5,14-19H2,(H,28,32)(H,29,33) |
| |
| Precursor 1 [M+H]⁺ | 457.28093 |
| Precursor 2 [M+2H]²⁺ | 229.14410 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 464.32487 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 233.16921 |
| 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 | 178.08626 | 161.05971 | 195.11280 |
| 2 | 263.17540 | 245.16484 | 246.14886 | 280.20195 | 263.17540 | 246.14886 | 280.20195 |
| 3 | 320.23325 | 302.22269 | 303.20670 | 457.28093 | 320.23325 | 303.20670 | 337.25980 |
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 456 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Drassodes sp. | Gnaphosidae | 2009 / S. Eichenberger |