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2,5-(OH)₂-Bz4333Ac
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta |
| Synonym | — |
| Molecular formula | C₂₂H₃₉N₅O₄ |
| CAS | — |
| SMILES | O=C(C1=C(O)C=CC(O)=C1)NCCCCNCCCNCCCNCCCNC(C)=O |
| InChI | InChI=1S/C22H39N5O4/c1-18(28)26-16-6-14-25-13-5-12-24-11-4-10-23-9-2-3-15-27-22(31)20-17-19(29)7-8-21(20)30/h7-8,17,23-25,29-30H,2-6,9-16H2,1H3,(H,26,28)(H,27,31) |
| |
| Precursor 1 [M+H]⁺ | 438.30748 |
| Precursor 2 [M+2H]²⁺ | 219.65738 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 446.35770 |
| Precursor HDX 2 [M(D₇)+D]²⁺ | 224.18562 |
| Precursor HDX 3 | |
| |
| Rt | 7.90 |
| Rt HDX | 6.39 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 208.09682 | 190.08626 | 191.07027 | 225.12337 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 265.15467 | 247.14410 | 248.12812 | 282.18122 | 157.13354 | 140.10699 | 174.16009 |
| 3 | 322.21252 | 304.20195 | 305.18597 | 339.23907 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 379.27037 | 361.25980 | 362.24382 | 438.30748 | 285.26489 | 268.23834 | 302.29144 |
Additional MS/MS fragments
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 438.30748 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | 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 |