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2,5-(OH)₂-Bz353(4-OH-Bz)
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Drassodes sp. |
| Synonym | DR 472 |
| Molecular formula | C₂₅H₃₆N₄O₅ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCCNCCCNC(C1=CC=C(O)C=C1)=O)C2=C(O)C=CC(O)=C2 |
| InChI | InChI=1S/C25H36N4O5/c30-20-8-6-19(7-9-20)24(33)28-16-4-14-26-12-2-1-3-13-27-15-5-17-29-25(34)22-18-21(31)10-11-23(22)32/h6-11,18,26-27,30-32H,1-5,12-17H2,(H,28,33)(H,29,34) |
| |
| Precursor 1 [M+H]⁺ | 473.27585 |
| Precursor 2 [M+2H]²⁺ | 237.14156 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 481.32606 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 241.66981 |
| 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 | 279.17032 | 261.15975 | 262.14377 | 296.19687 | 263.17540 | 246.14886 | 280.20195 |
| 3 | 336.22817 | 318.21760 | 319.20162 | 473.27585 | 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 472 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Drassodes sp. | Gnaphosidae | 209 / S. Eichenberger |