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IndLacAsn34
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus |
| Synonym | — |
| Molecular formula | C₂₂H₃₄N₆O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCNCCCCN)=O)C(O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C22H34N6O4/c23-8-3-4-9-25-10-5-11-26-21(31)18(13-20(24)30)28-22(32)19(29)12-15-14-27-17-7-2-1-6-16(15)17/h1-2,6-7,14,18-19,25,27,29H,3-5,8-13,23H2,(H2,24,30)(H,26,31)(H,28,32) |
| |
| Precursor 1 [M+H]⁺ | 447.27143 |
| Precursor 2 [M+2H]²⁺ | 224.13935 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX [M(D₉)+D]⁺ | 457.33420 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 229.67388 |
| Precursor HDX 3 | |
| |
| Rt | 8.79 |
| Rt HDX | 6.08 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 302.11353 | 284.10297 | 285.08698 | 319.14008 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 430.24488 | 412.23432 | 413.21833 | 447.27143 | 243.18155 | 226.15500 | 260.20810 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | “indol” |
| 160.07569 | a’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 447.27143 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | L. cornutus | 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 |
|---|
| Larinioides cornutus | Araneidae | 2020 / Y. M. Forster |