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4-OH-Bz343(4-OH-Bz)
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Drassodes sp. |
| Synonym | DR 442 |
| Molecular formula | C₂₁H₂₇N₃O₄ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCNCCCNC(C1=CC=C(O)C=C1)=O)C2=CC=C(O)C=C2 |
| InChI | InChI=1S/C24H34N4O4/c29-21-9-5-19(6-10-21)23(31)27-17-3-15-25-13-1-2-14-26-16-4-18-28-24(32)20-7-11-22(30)12-8-20/h5-12,25-26,29-30H,1-4,13-18H2,(H,27,31)(H,28,32) |
| |
| Precursor 1 [M+H]⁺ | 443.26528 |
| Precursor 2 [M+2H]²⁺ | 222.13628 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 450.30922 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 226.16139 |
| 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 | 249.15975 | 231.14919 | 232.13321 | 266.18630 | 249.15975 | 232.13321 | 266.18630 |
| 3 | 306.21760 | 288.20704 | 289.19105 | 443.26528 | 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 442 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Drassodes sp. | Gnaphosidae | 2009 / S. Eichenberger |