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IndAc4333Ac
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. potteri & H. curta |
| Synonym | — |
| Molecular formula | C₂₅H₄₂N₆O₂ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCCNCCCNCCCNCCCNC(C)=O |
| InChI | InChI=1S/C25H42N6O2/c1-21(32)29-18-8-16-28-15-7-14-27-13-6-12-26-11-4-5-17-30-25(33)19-22-20-31-24-10-3-2-9-23(22)24/h2-3,9-10,20,26-28,31H,4-8,11-19H2,1H3,(H,29,32)(H,30,33) |
| |
| Precursor 1 [M+H]⁺ | 459.34420 |
| Precursor 2 [M+2H]²⁺ | 230.17574 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 466.38814 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 234.20085 |
| Precursor HDX 3 | |
| |
| Rt | 10.88 |
| Rt HDX | 9.44 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 229.13354 | 211.12297 | 212.10699 | 246.16009 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 286.19139 | 268.18082 | 269.16484 | 303.21794 | 157.13354 | 140.10699 | 174.16009 |
| 3 | 343.24924 | 325.23867 | 326.22269 | 360.27579 | 214.19139 | 197.16484 | 231.21794 |
| 4 | 400.30709 | 382.29652 | 383.28054 | 459.34420 | 285.26489 | 268.23834 | 302.29144 |
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 | 459.34420 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 459.34420 | | 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 |