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IndAc4(OH)333Ac
333Ac.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. potteri & H. curta |
| Synonym | — |
| Molecular formula | C₂₅H₄₂N₆O₃ |
| CAS | — |
| SMILES | O=C(NCCCCN(O)CCCNCCCNCCCNC(C)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C25H42N6O3/c1-21(32)28-16-7-13-26-11-6-12-27-14-8-18-31(34)17-5-4-15-29-25(33)19-22-20-30-24-10-3-2-9-23(22)24/h2-3,9-10,20,26-27,30,34H,4-8,11-19H2,1H3,(H,28,32)(H,29,33) |
| |
| Precursor 1 [M+H]⁺ | 475.33912 |
| Precursor 2 [M+2H]²⁺ | 238.17320 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 482.38305 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 242.19830 |
| Precursor HDX 3 | |
| |
| Rt | 12.19 |
| Rt HDX | 10.56 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 229.13354 | 211.12297 | 212.10699 | 262.15500 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 302.18630 | 284.17574 | 285.15975 | 319.21285 | 157.13354 | 140.10699 | 174.16009 |
| 3 | 359.24415 | 341.23359 | 342.21760 | 376.27070 | 214.19139 | 197.16484 | 247.21285 |
| 4 | 416.30200 | 398.29144 | 399.27545 | 475.33912 | 301.25980 | 284.23325 | 318.28635 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 475.33912 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 475.33912 | | 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 |
|---|
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |