Navigation :
IndAc3(OH)3334Gu
3334Gu.png)
3334Gu_Ea_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / E. agrestis |
| Synonym | — |
| Molecular formula | C₂₇H₄₉N₉O₂ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCN(O)CCCNCCCNCCCNCCCCNC(N)=N |
| InChI | InChI=1S/C27H49N9O2/c28-27(29)34-17-4-3-11-30-12-5-13-31-14-6-15-32-16-7-19-36(38)20-8-18-33-26(37)21-23-22-35-25-10-2-1-9-24(23)25/h1-2,9-10,22,30-32,35,38H,3-8,11-21H2,(H,33,37)(H4,28,29,34) |
| |
| Precursor 1 [M+H]⁺ | 532.40820 |
| Precursor 2 [M+2H]²⁺ | 266.70774 |
| Precursor 3 | |
| |
| HDX | 10 |
| Precursor HDX [M(D₁₀)+D]⁺ | 543.47724 |
| Precursor HDX 2 [M(D₁₀)+2D]²⁺ | 272.74540 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 248.13935 | 114.10257 | 97.07602 | 131.12912 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 171.16042 | 154.13387 | 188.18697 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 228.21827 | 211.19172 | 245.24482 |
| 4 | 402.28635 | 384.27579 | 385.25980 | 419.31290 | 285.27612 | 268.24957 | 318.29759 |
| 5 | 473.35985 | 455.34929 | 456.33330 | 532.40820 | 358.32889 | 341.30234 | 375.35543 |
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 | 266.70774 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| | | | | |
Spider species
| Spider species | Family | Discovered |
|---|
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |