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4-OH-IndAc3(OH)335(NMe)
335(NMe).png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₅H₄₄N₆O₃ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCCCNC)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C25H44N6O3/c1-26-11-3-2-4-12-27-13-6-14-28-15-7-17-31(34)18-8-16-29-24(33)19-21-20-30-22-9-5-10-23(32)25(21)22/h5,9-10,20,26-28,30,32,34H,2-4,6-8,11-19H2,1H3,(H,29,33) |
| |
| Precursor 1 [M+H]⁺ | 477.35477 |
| Precursor 2 [M+2H]²⁺ | 239.18102 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 485.40498 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 243.70927 |
| Precursor HDX 3 | |
| |
| Rt | 8.10 |
| Rt HDX | 6.36 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 100.11208 | 83.08553 | 117.13862 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 321.19212 | 157.16993 | 140.14338 | 174.19647 |
| 3 | 361.22342 | 343.21285 | 344.19687 | 378.24997 | 214.22777 | 197.20123 | 247.24924 |
| 4 | 446.31257 | 428.30200 | 429.28602 | 477.35477 | 287.28054 | 270.25399 | 304.30709 |
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 | 477.35477 | | 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 |