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4-OH-IndAcßAla343
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / Lachesana sp. |
| Synonym | LH 446 |
| Molecular formula | C₂₃H₃₈N₆O₃ |
| CAS | — |
| SMILES | O=C(NCCC(NCCCNCCCCNCCCN)=O)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C23H38N6O3/c24-9-4-12-25-10-1-2-11-26-13-5-14-27-21(31)8-15-28-22(32)16-18-17-29-19-6-3-7-20(30)23(18)19/h3,6-7,17,25-26,29-30H,1-2,4-5,8-16,24H2,(H,27,31)(H,28,32) |
| |
| Precursor 1 [M+H]⁺ | 447.30782 |
| Precursor 2 [M+2H]²⁺ | 224.15755 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 456.36431 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 229.18893 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 245.09207 | 227.08150 | 228.06552 | 262.11862 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 302.14992 | 284.13935 | 285.12337 | 319.17647 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 373.22342 | 355.21285 | 356.19687 | 390.24997 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 430.28127 | 412.27070 | 413.25472 | 447.30782 | 257.23359 | 240.20704 | 274.26014 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | 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 446 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Lachesana sp. | Zodariidae | 2009 / S. Eichenberger |