Navigation :
IndAc35(NMe₃)⁺
.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₁H₃₅N₄O⁺ |
| CAS | — |
| SMILES | C[N+](C)(C)CCCCCNCCCNC(CC1=CNC2=C1C=CC=C2)=O |
| InChI | InChI=1S/C21H34N4O/c1-25(2,3)15-8-4-7-12-22-13-9-14-23-21(26)16-18-17-24-20-11-6-5-10-19(18)20/h5-6,10-11,17,22,24H,4,7-9,12-16H2,1-3H3/p+1 |
| |
| Precursor 1 M⁺ | 359.28054 |
| Precursor 2 [M+H]²⁺ | 180.14391 |
| Precursor 3 [(M+H)+CF₃CO₂]⁺ | 473.27340 |
| |
| HDX | 3 |
| Precursor HDX M(D₃)⁺ | 362.29937 |
| Precursor HDX 2 [M(D₃)+D]²⁺ | 182.15646 |
| Precursor HDX 3 [(M(D₃)+D)+CF₃CO₂]⁺ | 477.29851 |
| |
| Rt | 10.52 |
| Rt HDX | 9.12 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 128.14338 | 111.11683 | 146.17775 |
| 2 | 300.20704 | 282.19647 | 283.18049 | 359.28054 | 185.20123 | 167.16685 | 203.23560 |
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 | 359.28054 | | 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 |