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IndAc3335(NMe₃)⁺
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₇H₄₉N₆O⁺ |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCNCCCCC[N+](C)(C)C)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C27H48N6O/c1-33(2,3)21-8-4-7-14-28-15-9-16-29-17-10-18-30-19-11-20-31-27(34)22-24-23-32-26-13-6-5-12-25(24)26/h5-6,12-13,23,28-30,32H,4,7-11,14-22H2,1-3H3/p+1 |
| |
| Precursor 1 M⁺ | 473.39624 |
| Precursor 2 [M+H]²⁺ | 237.20176 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 587.38910 |
| |
| HDX | 5 |
| Precursor HDX 1 M(D₅)⁺ | 478.42762 |
| Precursor HDX 2 [M(D₅)+D]⁺²⁺ | 240.22059 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 593.42676 |
| |
| Rt | 8.61 |
| Rt HDX | 7.19 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 272.17574 | 254.16517 | 255.14919 | 289.20229 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 329.23359 | 311.22302 | 312.20704 | 346.26014 | 242.25907 | 223.21688 | 260.29345 |
| 4 | 414.32274 | 396.31217 | 397.29619 | 473.39624 | 299.31692 | 279.26690 | 317.35130 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 86.09643 | tz1-NMe₃ |
| 98.09643 | y2’ |
| 130.06513 | a’ |
| 126.12773 | z2-NMe₃ |
| 143.15428 | tz2-NMe₃ |
| 183.18558 | z3-NMe₃ |
| 200.21212 | tz3-NMe₃ |
| 214.13387 | ta1-H₂O |
| 257.26997 | tz4-NMe₃ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 473.39624 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 237.20176 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 473.39624 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 237.20176 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 473.39624 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 237.20176 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 473.39624 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 237.20176 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 473.39624 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | 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 |
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |