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2,5-(OH)₂-Bz3334Gu
General Description
| Name | Value |
|---|
| Level | S-2 / C-3 |
| Discovered | 2008 / C. pastoralis |
| Synonym | APA 6 |
| Molecular formula | C₂₁H₃₉N₇O₃ |
| CAS | 1084610-59-2 |
| SMILES | O=C(C1=C(O)C=CC(O)=C1)NCCCNCCCNCCCNCCCCNC(N)=N |
| InChI | InChI=1S/C21H39N7O3/c22-21(23)28-14-2-1-8-24-9-3-10-25-11-4-12-26-13-5-15-27-20(31)18-16-17(29)6-7-19(18)30/h6-7,16,24-26,29-30H,1-5,8-15H2,(H,27,31)(H4,22,23,28) |
| |
| Precursor 1 [M+H]⁺ | 438.31871 |
| Precursor 2 [M+2H]²⁺ | 219.66300 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX 1 [M(D₁₀)+D]⁺ | 449.38776 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 225.70066 |
| 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 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 268.16557 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 308.19687 | 290.18630 | 291.17032 | 325.22342 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 379.27037 | 361.25980 | 362.24382 | 438.31871 | 285.27612 | 268.24957 | 302.30267 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| NMR-spectroscopic screening of spider venom reveals sulfated nucleosides as major components for the brown recluse and related species | F. C. Schroeder, A. E. Taggi, M. Gronquist, R. U. Malik, J. B. Grant, T. Eisner, J. Meinwald, PNAS 2008, 105, 14283-14287 | C. pastoralis | APA 6 | NMR, ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Coelotes pastoralis | Agelenidae | 2008 / F. C. Schroeder |