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IndAc533
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₁H₃₅N₅O |
| CAS | — |
| SMILES | NCCCNCCCNCCCCCNC(CC1=CNC2=C1C=CC=C2)=O |
| InChI | InChI=1S/C21H35N5O/c22-10-6-12-24-14-7-13-23-11-4-1-5-15-25-21(27)16-18-17-26-20-9-3-2-8-19(18)20/h2-3,8-9,17,23-24,26H,1,4-7,10-16,22H2,(H,25,27) |
| |
| Precursor 1 [M+H]⁺ | 374.29144 |
| Precursor 2 [M+2H]²⁺ | 187.64936 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX 1 [M(D₆)+D]⁺ | 381.33537 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 191.67446 |
| Precursor HDX 3 | |
| |
| Rt | 10.71 |
| Rt HDX | 9.27 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 243.14919 | 225.13862 | 226.12264 | 260.17574 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 300.20704 | 282.19647 | 283.18049 | 317.23359 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 357.26489 | 339.25432 | 340.23834 | 374.29144 | 200.21212 | 183.18558 | 217.23867 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 126.12773 | y2’ |
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 374.29144 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 374.29144 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 374.29144 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 187.64936 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 374.29144 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 187.64936 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Hololena sp. | Spider Pharm, USA | 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 |