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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 | 2001 / A. aperta |
| Synonym | AG 505b |
| Molecular formula | C₂₆H₄₇N₇O₃ |
| CAS | 389872-46-2 |
| SMILES | O=C(NCCCN(O)CCCN(O)CCCNCCCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C26H47N7O3/c27-11-5-14-28-12-3-4-13-29-15-6-17-32(35)19-8-20-33(36)18-7-16-30-26(34)21-23-22-31-25-10-2-1-9-24(23)25/h1-2,9-10,22,28-29,31,35-36H,3-8,11-21,27H2,(H,30,34) |
| |
| Precursor 1 [M+H]⁺ | 506.38131 |
| Precursor 2 [M+2H]²⁺ | 253.69430 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 515.43781 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 258.72568 |
| Precursor HDX 3 | |
| |
| Rt | 10.26 |
| Rt HDX | 8.58 |
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 | 321.19212 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 361.22342 | 343.21285 | 344.19687 | 378.24997 | 186.19647 | 169.16993 | 219.21794 |
| 4 | 432.29692 | 414.28635 | 415.27037 | 449.32347 | 259.24924 | 242.22269 | 292.27070 |
| 5 | 489.35477 | 471.34420 | 472.32822 | 506.38131 | 332.30200 | 315.27545 | 349.32855 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 114.09134 | y2’ |
| 128.10699 | y2’ |
| 130.06513 | a’ |
| 131.11789 | z2’ |
| 145.13354 | z2’ |
| 158.06004 | a0 |
| 275.24415 | tz4-NH₃ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 506.38131 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 253.69430 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 506.38131 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 253.69430 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 506.38131 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 253.69430 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 506.38131 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 253.69430 | | 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 505b | 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 |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |