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4-OH-Bz5
General Description
| Name | Value |
|---|
| Level | S-1 / C-3 |
| Discovered | 2009 / Drassodes sp. |
| Synonym | DR 222 |
| Molecular formula | C₁₂H₁₈N₂O₂ |
| CAS | 857263-12-8 |
| SMILES | O=C(NCCCCCN)C1=CC=C(O)C=C1 |
| InChI | InChI=1S/C12H18N2O2/c13-8-2-1-3-9-14-12(16)10-4-6-11(15)7-5-10/h4-7,15H,1-3,8-9,13H2,(H,14,16) |
| |
| Precursor 1 [M+H]⁺ | 223.14410 |
| Precursor 2 [M+2H]²⁺ | 112.07569 |
| Precursor 3 | |
| |
| HDX | 4 |
| Precursor HDX 1 [M(D₄)+D]⁺ | 228.17549 |
| Precursor HDX 2 [M(D₄)+2D]²⁺ | 115.09452 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 206.11756 | 188.10699 | 189.09101 | 206.11810 | 86.09643 | 69.06988 | 103.12297 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| 1,3-Dimethyllumazine derivatives from Limnatis nilotica | G. Voerman, S. Cavalli, G. A. van der Marel, W. Pfleiderer, J. H. van Boom, D. V. Filippov, J. Nat. Prod. 2005, 68, 938 | | (9) | Synthesis, NMR | 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 222 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Drassodes sp. | Gnaphosidae | 2009 / S. Eichenberger |