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4-OH-IndAc5(OH)33
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₁H₃₅N₅O₃ |
| CAS | — |
| SMILES | NCCCNCCCN(O)CCCCCNC(CC1=CNC2=C1C(O)=CC=C2)=O |
| InChI | InChI=1S/C21H35N5O3/c22-9-5-10-23-11-6-14-26(29)13-3-1-2-12-24-20(28)15-17-16-25-18-7-4-8-19(27)21(17)18/h4,7-8,16,23,25,27,29H,1-3,5-6,9-15,22H2,(H,24,28) |
| |
| Precursor 1 [M+H]⁺ | 406.28127 |
| Precursor 2 [M+2H]²⁺ | 203.64427 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 414.33148 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 208.17252 |
| Precursor HDX 3 | |
| |
| Rt | 10.16 |
| Rt HDX | 8.37 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 259.14410 | 241.13354 | 242.11756 | 292.16557 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 332.19687 | 314.18630 | 315.17032 | 349.22342 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 389.25472 | 371.24415 | 372.22817 | 406.28127 | 216.20704 | 199.18049 | 233.23359 |
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 | 406.28127 | | 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 |