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4-OH-Bz34(4-OH-Bz)
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Drassodes sp. |
| Synonym | DR 385 |
| Molecular formula | C₂₁H₂₇N₃O₄ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCNC(C1=CC=C(O)C=C1)=O)C2=CC=C(O)C=C2 |
| InChI | InChI=1S/C21H27N3O4/c25-18-8-4-16(5-9-18)20(27)23-14-2-1-12-22-13-3-15-24-21(28)17-6-10-19(26)11-7-17/h4-11,22,25-26H,1-3,12-15H2,(H,23,27)(H,24,28) |
| |
| Precursor 1 [M+H]⁺ | 386.20743 |
| Precursor 2 [M+2H]²⁺ | 193.60735 |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX 1 [M(D₅)+D]⁺ | 392.24509 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 197.12932 |
| 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 | 192.10191 | 175.07536 | 209.12845 |
| 2 | 249.15975 | 231.14919 | 232.13321 | 386.20743 | 249.15975 | 232.13321 | 266.18630 |
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 385 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Drassodes sp. | Gnaphosidae | 2009 / S. Eichenberger |