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4-OH-IndAc3(OH)3(OH)343
3(OH)343.png)
3(OH)343_Aa.png?classes=border)
3(OH)343_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | ? / A. aperta |
| Synonym | AG 521 / Agel 521 |
| Molecular formula | C₂₆H₄₇N₇O₄ |
| CAS | 389872-43-9 |
| SMILES | O=C(NCCCN(O)CCCN(O)CCCNCCCCNCCCN)CC1=CNC2=C1C(O)=CC=C2 |
| InChI | InChI=1S/C26H47N7O4/c27-10-4-13-28-11-1-2-12-29-14-5-16-32(36)18-7-19-33(37)17-6-15-30-25(35)20-22-21-31-23-8-3-9-24(34)26(22)23/h3,8-9,21,28-29,31,34,36-37H,1-2,4-7,10-20,27H2,(H,30,35) |
| |
| Precursor 1 [M+H]⁺ | 522.37623 |
| Precursor 2 [M+2H]²⁺ | 261.69175 |
| Precursor 3 | |
| |
| HDX | 9 |
| Precursor HDX 1 [M(D₉)+D]⁺ | 532.43900 |
| Precursor HDX 2 [M(D₉)+2D]²⁺ | 532.43900 |
| Precursor HDX 3 | |
| |
| Rt | 7.99 |
| Rt HDX | 6.38 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 264.13427 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 304.16557 | 286.15500 | 287.13902 | 337.18703 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 377.21833 | 359.20777 | 360.19178 | 394.24488 | 186.19647 | 169.16993 | 219.21794 |
| 4 | 448.29183 | 430.28127 | 431.26528 | 465.31838 | 259.24924 | 242.22269 | 292.27070 |
| 5 | 505.34968 | 487.33912 | 488.32313 | 522.37623 | 332.30200 | 315.27545 | 349.32855 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 114.09134 | y2’ |
| 128.10699 | y2’ |
| 131.11789 | z2’ |
| 145.13354 | z2’ |
| 146.06004 | a’ |
| 174.05495 | a0 |
| 191.08150 | ta0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 522.37623 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 261.69175 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 522.37623 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 261.69175 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 522.37623 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 522.37623 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 261.69175 | | 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 |
|---|
| Polyamine toxins from spiders and wasps | A. Schäfer, H. Benz, W. Fiedler, A. Guggisberg, S. Bienz, M. Hesse, The Alkaloids 1994, 45, 1-125 | A. aperta | Agel 521 | Review | Link |
| Acylpolyamines: Mass spectrometric analytical methods for Araneidae spider acylpolyamines | Y. Itagaki , T. Nakajima , Toxin Rev. 2000, 19, 23-52 | | Agel 521 | Review | 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 521 | 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 | ? / ? |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |