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4-OH-IndAc335(NMe₃)⁺
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₄H₄₂N₅O₂⁺ |
| CAS | — |
| SMILES | O=C(NCCCNCCCNCCCCC[N+](C)(C)C)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C24H41N5O2/c1-29(2,3)17-6-4-5-12-25-13-8-14-26-15-9-16-27-23(31)18-20-19-28-21-10-7-11-22(30)24(20)21/h7,10-11,19,25-26,28H,4-6,8-9,12-18H2,1-3H3,(H-,27,30,31)/p+1 |
| |
| Precursor 1 M⁺ | 432.33330 |
| Precursor 2 [M+H]²⁺ | 216.67029 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 546.32617 |
| |
| HDX | 5 |
| Precursor HDX M(D₅)⁺ | 437.36469 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 219.68912 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 552.36383 |
| |
| Rt | 7.02 |
| Rt HDX | 5.70 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 248.13935 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 185.20123 | 167.16685 | 203.23560 |
| 3 | 373.25980 | 355.24924 | 356.23325 | 432.33330 | 242.25907 | 223.21688 | 260.29345 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 432.33330 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | 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 |
|---|
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |