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IndAcßAla353
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Lachesana sp. |
| Synonym | LH 444 |
| Molecular formula | C₂₄H₄₀N₆O₂ |
| CAS | — |
| SMILES | O=C(NCCC(NCCCNCCCCCNCCCN)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C24H40N6O2/c25-11-6-14-26-12-4-1-5-13-27-15-7-16-28-23(31)10-17-29-24(32)18-20-19-30-22-9-3-2-8-21(20)22/h2-3,8-9,19,26-27,30H,1,4-7,10-18,25H2,(H,28,31)(H,29,32) |
| |
| Precursor 1 [M+H]⁺ | 445.32855 |
| Precursor 2 [M+2H]²⁺ | 223.16791 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 453.37876 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 227.69616 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 229.09715 | 211.08659 | 212.07060 | 246.12370 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 286.15500 | 268.14444 | 269.12845 | 303.18155 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 371.24415 | 353.23359 | 354.21760 | 388.27070 | 200.21212 | 183.18558 | 217.23867 |
| 4 | 428.30200 | 410.29144 | 411.27545 | 445.32855 | 271.24924 | 254.22269 | 288.27579 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| | | | | |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxins | S. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156 | Lachesana sp. | LH 444 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Lachesana sp. | Zodariidae | 2009 / S. Eichenberger |