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IndAc3333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₂H₃₈N₆O |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCNCCCNCCCNCCCN |
| InChI | InChI=1S/C22H38N6O/c23-9-3-10-24-11-4-12-25-13-5-14-26-15-6-16-27-22(29)17-19-18-28-21-8-2-1-7-20(19)21/h1-2,7-8,18,24-26,28H,3-6,9-17,23H2,(H,27,29) |
| |
| Precursor 1 [M+H]⁺ | 403.31799 |
| Precursor 2 [M+2H]²⁺ | 202.16263 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 411.36820 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 206.69088 |
| Precursor HDX 3 | |
| |
| Rt | 7.55 |
| Rt HDX | 6.17 |
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 | 272.17574 | 254.16517 | 255.14919 | 289.20229 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 329.23359 | 311.22302 | 312.20704 | 346.26014 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 386.29144 | 368.28087 | 369.26489 | 403.31799 | 229.23867 | 212.21212 | 246.26522 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 214.13387 | ta1-H₂O |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 403.31799 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 403.31799 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 403.31799 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | 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 |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |