Navigation :
4-OH-IndAc5333
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 1993 / D. okefinokensis |
| Synonym | CNS 2103 |
| Molecular formula | C₂₄H₄₂N₆O₂ |
| CAS | 144923-45-5 |
| SMILES | NCCCNCCCNCCCNCCCCCNC(CC1=CNC2=C1C(O)=CC=C2)=O |
| InChI | InChI=1S/C24H42N6O2/c25-10-5-12-27-14-7-16-28-15-6-13-26-11-2-1-3-17-29-23(32)18-20-19-30-21-8-4-9-22(31)24(20)21/h4,8-9,19,26-28,30-31H,1-3,5-7,10-18,25H2,(H,29,32) |
| |
| Precursor 1 [M+H]⁺ | 447.34420 |
| Precursor 2 [M+2H]²⁺ | 224.17574 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 456.40069 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 229.20712 |
| Precursor HDX 3 | |
| |
| Rt | 8.62 |
| Rt HDX | 7.03 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 259.14410 | 241.13354 | 242.11756 | 276.17065 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 316.20195 | 298.19139 | 299.17540 | 333.22850 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 373.25980 | 355.24924 | 356.23325 | 390.28635 | 172.18082 | 155.15428 | 189.20737 |
| 4 | 430.31765 | 412.30709 | 413.29110 | 447.34420 | 257.26997 | 240.24342 | 274.29652 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 447.34420 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 224.17574 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| Characterization and synthesis of a new calcium antagonist from the venom of a Fishing spider | K. D. McCormick, K. Kobayashi, S. M. Goldin, N. L. Reddy, J. Meinwald, Tetrahedron 1993, 49, 11155 | D. okefinokensis | CNS 2103 | Synthesis, NMR, FAB-MS/MS, Amino acid analysis, Activity-studies | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | D. okefinokensis | CNS 2103 | Review | 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 |
|---|
| Dolomedes okefinokensis | Pisauridae | 1993 / K. D. McCormick |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |