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IndAc334
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₀H₃₃N₅O |
| CAS | — |
| SMILES | NCCCCNCCCNCCCNC(CC1=CNC2=C1C=CC=C2)=O |
| InChI | InChI=1S/C20H33N5O/c21-9-3-4-10-22-11-5-12-23-13-6-14-24-20(26)15-17-16-25-19-8-2-1-7-18(17)19/h1-2,7-8,16,22-23,25H,3-6,9-15,21H2,(H,24,26) |
| |
| Precursor 1 [M+H]⁺ | 360.27579 |
| Precursor 2 [M+2H]²⁺ | 180.64153 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 367.31972 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 184.66664 |
| Precursor HDX 3 | |
| |
| Rt | 7.78 |
| Rt HDX | 6.45 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 272.17574 | 254.16517 | 255.14919 | 289.20229 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 343.24924 | 325.23867 | 326.22269 | 360.27579 | 186.19647 | 169.16993 | 203.22302 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 214.13387 | ta1-H₂O |
| 271.19172 | ta2-H₂O |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 360.27579 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 360.27579 | IndAc343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 360.27579 | IndAc343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc343 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 360.27579 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc343 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 360.27579 | IndAc343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 180.64153 | IndAc343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | IndAc343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 360.27579 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc343 | 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 |