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IndLacAsn3333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / L. cornutus |
| Synonym | — |
| Molecular formula | C₂₇H₄₆N₈O₄ |
| CAS | — |
| SMILES | O=C(NC(CC(N)=O)C(NCCCNCCCNCCCNCCCN)=O)C(O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C27H46N8O4/c28-9-3-10-30-11-4-12-31-13-5-14-32-15-6-16-33-26(38)23(18-25(29)37)35-27(39)24(36)17-20-19-34-22-8-2-1-7-21(20)22/h1-2,7-8,19,23-24,30-32,34,36H,3-6,9-18,28H2,(H2,29,37)(H,33,38)(H,35,39) |
| |
| Precursor 1 [M+H]⁺ | 547.37148 |
| Precursor 2 [M+2H]²⁺ | 274.18938 |
| Precursor 3 | |
| |
| HDX | 11 |
| Precursor HDX [M(D₁₁)+D]⁺ | 559.44680 |
| Precursor HDX 2 [M(D₁₁)+2D]²⁺ | 280.73018 |
| Precursor HDX 3 | |
| |
| Rt | 7.73 |
| Rt HDX | 6.36 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 302.11353 | 284.10297 | 285.08698 | 319.14008 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 359.17138 | 341.16082 | 342.14483 | 376.19793 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 416.22923 | 398.21867 | 399.20268 | 433.25578 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 473.28708 | 455.27652 | 456.26053 | 490.31363 | 229.23867 | 212.21212 | 246.26522 |
| 5 | 530.34493 | 512.33436 | 513.31838 | 547.37148 | 343.28160 | 326.25505 | 360.30815 |
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 | 547.37148 | | L. cornutus | Spider Pharm, USA | Y. M. Forster |
| Data | 274.18938 | | 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 |