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4-OH-IndAc3(OH)35(NMe₃)⁺
35(NMe3).png)
35(NMe3)_Aa.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₄H₄₂N₅O₃⁺ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCN(O)CCCNCCCCC[N+](C)(C)C |
| InChI | InChI=1S/C24H41N5O3/c1-29(2,3)17-6-4-5-12-25-13-8-15-28(32)16-9-14-26-23(31)18-20-19-27-21-10-7-11-22(30)24(20)21/h7,10-11,19,25,27,32H,4-6,8-9,12-18H2,1-3H3,(H-,26,30,31)/p+1 |
| |
| Precursor 1 M⁺ | 448.32822 |
| Precursor 2 [M+H]²⁺ | 224.66775 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 562.32108 |
| |
| HDX | 5 |
| Precursor HDX 1 M(D₅)⁺ | 453.35960 |
| Precursor HDX 2 [M(D₅)+D]²⁺ | 227.68658 |
| Precursor HDX 3 [(M(D₅)+D)+CF₃CO₂]⁺ | 568.35874 |
| |
| Rt | 8.67 |
| Rt HDX | 6.87 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 321.19212 | 185.20123 | 167.16685 | 219.23051 |
| 3 | 389.25472 | 371.24415 | 372.22817 | 448.32822 | 258.25399 | 239.21179 | 276.28836 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 126.12773 | z2-NMe₃ |
| 146.06004 | a’ |
| 159.14919 | tz2-NMe₃ |
| 174.05495 | a0 |
| 191.08150 | ta0 |
| 216.20704 | tz3-NMe₃ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 448.32822 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 448.32822 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 448.32822 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 448.32822 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 224.66775 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 448.32822 | | 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 |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |