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IndAc34(OH)33
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. potteri |
| Synonym | — |
| Molecular formula | C₂₃H₄₀N₆O₂ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCNCCCCN(O)CCCNCCCN |
| InChI | InChI=1S/C23H40N6O2/c24-10-5-12-26-14-7-17-29(31)16-4-3-11-25-13-6-15-27-23(30)18-20-19-28-22-9-2-1-8-21(20)22/h1-2,8-9,19,25-26,28,31H,3-7,10-18,24H2,(H,27,30) |
| |
| Precursor 1 [M+H]⁺ | 433.32855 |
| Precursor 2 [M+2H]²⁺ | 217.16791 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 441.37876 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 221.69616 |
| Precursor HDX 3 | |
| |
| Rt | 9.96 |
| Rt HDX | 8.29 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 286.19139 | 268.18082 | 269.16484 | 319.21285 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 359.24415 | 341.23359 | 342.21760 | 376.27070 | 202.19139 | 185.16484 | 219.21794 |
| 4 | 416.30200 | 398.29144 | 399.27545 | 433.32855 | 259.24924 | 242.22269 | 276.27579 |
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 | 433.32855 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | 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 |