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IndLac4333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₄H₄₂N₆O₂ |
| CAS | — |
| SMILES | O=C(NCCCCNCCCNCCCNCCCN)C(O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C24H42N6O2/c25-10-5-12-27-14-7-16-28-15-6-13-26-11-3-4-17-29-24(32)23(31)18-20-19-30-22-9-2-1-8-21(20)22/h1-2,8-9,19,23,26-28,30-31H,3-7,10-18,25H2,(H,29,32) |
| |
| Precursor 1 [M+H]⁺ | 447.34420 |
| Precursor 2 [M+2H]²⁺ | 224.17574 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 456.40069 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 229.20712 |
| Precursor HDX 3 | |
| |
| Rt | 8.44 |
| Rt HDX | 7.06 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 259.14410 | 241.13354 | 242.11756 | 276.17065 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 316.20195 | 298.19139 | 299.17540 | 333.22850 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 373.25980 | 355.24924 | 356.23325 | 390.28635 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 430.31765 | 412.30709 | 413.29110 | 447.34420 | 243.25432 | 226.22777 | 260.28087 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 112.11208 | y2’ |
| 130.06513 | “indol” |
| 160.07569 | a’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 447.34420 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 447.34420 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 224.17574 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 447.34420 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 224.17574 | | 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 |