Navigation :
IndAc3(OH)333
333.png)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / H. curta & Hololena sp. |
| Synonym | — |
| Molecular formula | C₂₂H₃₈N₆O₂ |
| CAS | — |
| SMILES | O=C(NCCCN(O)CCCNCCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C22H38N6O2/c23-9-3-10-24-11-4-12-25-13-5-15-28(30)16-6-14-26-22(29)17-19-18-27-21-8-2-1-7-20(19)21/h1-2,7-8,18,24-25,27,30H,3-6,9-17,23H2,(H,26,29) |
| |
| Precursor 1 [M+H]⁺ | 419.31290 |
| Precursor 2 [M+2H]²⁺ | 210.16009 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX [M(D₇)+D]⁺ | 427.36311 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 214.68833 |
| Precursor HDX 3 | |
| |
| Rt | 9.27 |
| Rt HDX | 7.44 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 248.13935 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 172.18082 | 155.15428 | 205.20229 |
| 4 | 402.28635 | 384.27579 | 385.25980 | 419.31290 | 245.23359 | 228.20704 | 262.26014 |
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 | 419.31290 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 419.31290 | | 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 curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |