Navigation :
IndAc5(OH)33
33.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₁H₃₅N₅O₂ |
| CAS | — |
| SMILES | O=C(NCCCCCN(O)CCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C21H35N5O2/c22-10-6-11-23-12-7-15-26(28)14-5-1-4-13-24-21(27)16-18-17-25-20-9-3-2-8-19(18)20/h2-3,8-9,17,23,25,28H,1,4-7,10-16,22H2,(H,24,27) |
| |
| Precursor 1 [M+H]⁺ | 390.28635 |
| Precursor 2 [M+2H]²⁺ | 195.64681 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 397.33029 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 199.67192 |
| Precursor HDX 3 | |
| |
| Rt | 12.30 |
| Rt HDX | 10.62 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 243.14919 | 225.13862 | 226.12264 | 276.17065 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 316.20195 | 298.19139 | 299.17540 | 333.22850 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 373.25980 | 355.24924 | 356.23325 | 390.28635 | 216.20704 | 199.18049 | 233.23359 |
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 | 390.28635 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 195.64681 | | 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 |