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4-OH-IndAc353
General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2009 / O. lugubris |
| Synonym | OZ 389 |
| Molecular formula | C₂₁H₃₅N₅O₂ |
| CAS | 144923-47-7 |
| SMILES | O=C(NCCCNCCCCCNCCCN)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C21H35N5O2/c22-9-5-12-23-10-2-1-3-11-24-13-6-14-25-20(28)15-17-16-26-18-7-4-8-19(27)21(17)18/h4,7-8,16,23-24,26-27H,1-3,5-6,9-15,22H2,(H,25,28) |
| |
| Precursor 1 [M+H]⁺ | 390.28635 |
| Precursor 2 [M+2H]²⁺ | 195.64681 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 398.33657 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 200.17506 |
| Precursor HDX 3 | |
| |
| Rt | |
| Rt HDX | |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 248.13935 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 316.20195 | 298.19139 | 299.17540 | 333.22850 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 373.25980 | 355.24924 | 356.23325 | 390.28635 | 200.21212 | 183.18558 | 217.23867 |
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 | O. lugubris | OZ 389 | nLC-ESI-MS/MS | Link |
Spider species
| Spider species | Family | Discovered |
|---|
| Ozyptila lugubris | Thomisidae | 2009 / S. Eichenberger |