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IndAc3(OH)33433
33433.png)
33433_Aa.png?classes=border)
33433_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₉H₅₄N₈O₂ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCCNCCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C29H54N8O2/c30-12-5-15-33-18-6-16-31-13-3-4-14-32-17-7-19-34-20-8-22-37(39)23-9-21-35-29(38)24-26-25-36-28-11-2-1-10-27(26)28/h1-2,10-11,25,31-34,36,39H,3-9,12-24,30H2,(H,35,38) |
| |
| Precursor 1 [M+H]⁺ | 547.44425 |
| Precursor 2 [M+2H]²⁺ | 274.22576 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 557.50702 |
| Precursor HDX 2 [[M(D₉)+2D]²⁺ | 279.76029 |
| Precursor HDX 3 | |
| |
| Rt | 9.31 |
| Rt HDX | 7.49 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 248.13935 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 416.30200 | 398.29144 | 399.27545 | 433.32855 | 243.25432 | 226.22777 | 260.28087 |
| 5 | 473.35985 | 455.34929 | 456.33330 | 490.38640 | 300.31217 | 283.28562 | 333.33364 |
| 6 | 530.41770 | 512.40714 | 513.39115 | 547.44425 | 373.36494 | 356.33839 | 390.39149 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 112.11208 | y2’ |
| 128.10699 | y2’ |
| 130.06513 | a’ |
| 169.16993 | y3’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 547.44425 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 274.22576 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 547.44425 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 274.22576 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 547.44425 | | 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 aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |