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IndAc343Ac
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₂H₃₅N₅O₂ |
| CAS | — |
| SMILES | O=C(NCCCNCCCCNCCCNC(C)=O)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C22H35N5O2/c1-18(28)25-14-6-12-23-10-4-5-11-24-13-7-15-26-22(29)16-19-17-27-21-9-3-2-8-20(19)21/h2-3,8-9,17,23-24,27H,4-7,10-16H2,1H3,(H,25,28)(H,26,29) |
| |
| Precursor 1 [M+H]⁺ | 402.28635 |
| Precursor 2 [M+2H]²⁺ | 201.64681 |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX [M(D₅)+D]⁺ | 408.32401 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 205.16878 |
| Precursor HDX 3 | |
| |
| Rt | 11.08 |
| Rt HDX | 9.74 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 286.19139 | 268.18082 | 269.16484 | 303.21794 | 171.14919 | 154.12264 | 188.17574 |
| 3 | 343.24924 | 325.23867 | 326.22269 | 402.28635 | 228.20704 | 211.18049 | 245.23359 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 402.28635 | | 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 |
|---|
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |