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4-OH-IndAc3(OH)335(NMe₂)
335(NMe2).png)
335(NMe2)_Aa.png?classes=border)
335(NMe2)_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₆H₄₆N₆O₃ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCCCN(C)C)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C26H46N6O3/c1-31(2)17-5-3-4-12-27-13-7-14-28-15-8-18-32(35)19-9-16-29-25(34)20-22-21-30-23-10-6-11-24(33)26(22)23/h6,10-11,21,27-28,30,33,35H,3-5,7-9,12-20H2,1-2H3,(H,29,34) |
| |
| Precursor 1 [M+H]⁺ | 491.37042 |
| Precursor 2 [M+2H]²⁺ | 246.18885 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 498.41435 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 250.21395 |
| Precursor HDX 3 | |
| |
| Rt | 8.32 |
| Rt HDX | 6.61 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 114.12773 | 97.10118 | 131.15428 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 321.19212 | 171.18558 | 154.15903 | 188.21212 |
| 3 | 361.22342 | 343.21285 | 344.19687 | 378.24997 | 228.24342 | 211.21688 | 261.26489 |
| 4 | 446.31257 | 428.30200 | 429.28602 | 491.37042 | 301.29619 | 284.26964 | 318.32274 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 86.09643 | tz1-NHMe₂ |
| 98.09643 | y2’ |
| 126.12773 | z2-NHMe₂ |
| 143.15428 | tz2-NHMe₂ |
| 146.06004 | a’ |
| 174.05495 | a0 |
| 183.18558 | z3-NHMe₂ |
| 191.08150 | ta0 |
| 216.20704 | tz3-NHMe₂ |
| 273.26489 | tz4-NHMe₂ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 491.37042 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 246.18885 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 491.37042 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 246.18885 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 491.37042 | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | E. agrestis | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 491.37042 | | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Eratigena agrestis | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |