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2,5-(OH)₂-Bz335(NMe₃)⁺
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta & Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₁H₃₉N₄O₃⁺ |
| CAS | — |
| SMILES | C[N+](C)(C)CCCCCNCCCNCCCNC(C1=C(O)C=CC(O)=C1)=O |
| InChI | InChI=1S/C21H38N4O3/c1-25(2,3)16-6-4-5-11-22-12-7-13-23-14-8-15-24-21(28)19-17-18(26)9-10-20(19)27/h9-10,17,22-23H,4-8,11-16H2,1-3H3,(H2-,24,26,27,28)/p+1 |
| |
| Precursor 1 M⁺ | 395.30167 |
| Precursor 2 [M+H]²⁺ | 198.15447 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 509.29453 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 400.33305 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 201.17330 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 515.33219 |
| |
| Rt | 5.69 |
| Rt HDX | 4.34 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 194.08117 | 176.07060 | 177.05462 | 211.10772 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 268.16557 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 336.22817 | 318.21760 | 319.20162 | 395.30167 | 242.25907 | 223.21688 | 260.29345 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 395.30167 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 395.30167 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Low molecular mass compounds in spider venom | Y. M. Forster, S. Bienz, L. Bigler, 2020, in preparation | div. | | | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |