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IndAc4(OH)3(OH)33
3(OH)33.png)
3(OH)33_Aa.png?classes=border)
3(OH)33_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2001 / A. aperta |
| Synonym | AG 448c |
| Molecular formula | C₂₃H₄₀N₆O₃ |
| CAS | 389872-63-3 |
| SMILES | O=C(NCCCCN(O)CCCN(O)CCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C23H40N6O3/c24-10-5-11-25-12-6-15-29(32)17-7-16-28(31)14-4-3-13-26-23(30)18-20-19-27-22-9-2-1-8-21(20)22/h1-2,8-9,19,25,27,31-32H,3-7,10-18,24H2,(H,26,30) |
| |
| Precursor 1 [M+H]⁺ | 449.32347 |
| Precursor 2 [M+2H]²⁺ | 225.16537 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 457.37368 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 229.69362 |
| Precursor HDX 3 | |
| |
| Rt | 11.52 |
| Rt HDX | 9.79 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 229.13354 | 211.12297 | 212.10699 | 262.15500 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 302.18630 | 284.17574 | 285.15975 | 335.20777 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 375.23907 | 357.22850 | 358.21252 | 392.26562 | 188.17574 | 171.14919 | 221.19720 |
| 4 | 432.29692 | 414.28635 | 415.27037 | 449.32347 | 275.24415 | 258.21760 | 292.27070 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 114.09134 | y2’ |
| 128.10699 | y2’ |
| 130.06513 | a’ |
| 131.11789 | z2’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 449.32347 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 225.16537 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 449.32347 | | Ariadna sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Ariadna sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 449.32347 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 449.32347 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 225.16537 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 449.32347 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 225.16537 | | 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 |
|---|
| The acylpolyamines from the venom of the spider Agelenopsis aperta | S. Chesnov, L. Bigler, M. Hesse, Helv. Chim. Acta 2001, 84, 2178-2197 | A. aperta | Ag 448c | 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 | 2001 / S. Chesnov |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Ariadna sp. | Segestriidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |