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4-OH-IndAc3333
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / P. luctuosa |
| Synonym | — |
| Molecular formula | C₂₂H₃₈N₆O₂ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCNCCCNCCCNCCCN |
| InChI | InChI=1S/C22H38N6O2/c23-8-2-9-24-10-3-11-25-12-4-13-26-14-5-15-27-21(30)16-18-17-28-19-6-1-7-20(29)22(18)19/h1,6-7,17,24-26,28-29H,2-5,8-16,23H2,(H,27,30) |
| |
| Precursor 1 [M+H]⁺ | 419.31290 |
| Precursor 2 [M+2H]²⁺ | 210.16009 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX [M(D₈)+D]⁺ | 428.36939 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 215.19147 |
| Precursor HDX 3 | |
| |
| Rt | 5.57 |
| Rt HDX | 4.33 |
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 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 402.28635 | 384.27579 | 385.25980 | 419.31290 | 229.23867 | 212.21212 | 246.26522 |
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 | 419.31290 | | 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 |