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IndAc3433
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2002 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₃H₄₀N₆O |
| CAS | 755748-88-0 |
| SMILES | O=C(NCCCNCCCCNCCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C23H40N6O/c24-10-5-13-27-15-6-14-25-11-3-4-12-26-16-7-17-28-23(30)18-20-19-29-22-9-2-1-8-21(20)22/h1-2,8-9,19,25-27,29H,3-7,10-18,24H2,(H,28,30) |
| |
| Precursor 1 [M+H]⁺ | 417.33364 |
| Precursor 2 [M+2H]²⁺ | 209.17046 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 425.38385 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 213.69870 |
| Precursor HDX 3 | |
| |
| Rt | 7.82 |
| Rt HDX | 6.21 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 232.14444 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 286.19139 | 268.18082 | 269.16484 | 303.21794 | 115.12297 | 98.09643 | 132.14952 |
| 3 | 343.24924 | 325.23867 | 326.22269 | 360.27579 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 400.30709 | 382.29652 | 383.28054 | 417.33364 | 243.25432 | 226.22777 | 260.28087 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 112.11208 | y2’ |
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 417.33364 | | synth. IndAc3433 | UZH Bienz lab, CHE | Y. M. Forster |
| Data | 209.17046 | | synth. IndAc3433 | UZH Bienz lab, CHE | Y. M. Forster |
| Data | 417.33364 | IndAc3334 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 209.17046 | IndAc3334 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc3334 / IndAc3343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 417.33364 | IndAc3334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 209.17046 | IndAc3334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 417.33364 | IndAc3334 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 209.17046 | IndAc3334 / IndAc3343 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc3334 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 417.33364 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 209.17046 | | 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 |
|---|
| Solid-phase synthesis of polyamine spider toxins and correlation with natural products by HPLC-MS/MS | N. Manov, M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Helv. Chim. Acta 2002, 85, 2827-2846 | A. aperta | Synthesis, NMR, APCI-MS/MS | Link | |
| Tandem mass spectrometric investigation of acylpolyamines of spider venoms and their 15N-labeled derivatives | M. Tzouros, N. Manov, S. Bienz, L. Bigler, J. Am. Soc. Mass Spectrom. 2004, 15, 1636-1643 | APCI-MS/MS | 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 |
|---|
| Agelenopsis aperta | Agelenidae | 2002 / M. Tzouros |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |