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IndAc3(OH)343
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General Description
| Name | Value |
|---|
| Level | S-3 / C-3 |
| Discovered | 2001 / A. aperta |
| Synonym | AG 432f |
| Molecular formula | C₂₃H₄₀N₆O₂ |
| CAS | 389872-71-3 |
| SMILES | O=C(NCCCN(O)CCCNCCCCNCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C23H40N6O2/c24-10-5-13-25-11-3-4-12-26-14-6-16-29(31)17-7-15-27-23(30)18-20-19-28-22-9-2-1-8-21(20)22/h1-2,8-9,19,25-26,28,31H,3-7,10-18,24H2,(H,27,30) |
| |
| Precursor 1 [M+H]⁺ | 433.32855 |
| Precursor 2 [M+2H]²⁺ | 217.16791 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 441.37876 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 221.69616 |
| Precursor HDX 3 | |
| |
| Rt | 9.10 |
| Rt HDX | 7.42 |
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 | 305.19720 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 359.24415 | 341.23359 | 342.21760 | 376.27070 | 186.19647 | 169.16993 | 219.21794 |
| 4 | 416.30200 | 398.29144 | 399.27545 | 433.32855 | 259.24924 | 242.22269 | 276.27579 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 433.32855 | IndAc3(OH)334 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 217.16791 | IndAc3(OH)334 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc3(OH)334 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 433.32855 | IndAc3(OH)334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 217.16791 | IndAc3(OH)334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | IndAc3(OH)334 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 433.32855 | | Ariadna sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | Ariadna sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 433.32855 | 4-OH-IndAc3(OH)334 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 217.16791 | 4-OH-IndAc3(OH)334 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-IndAc3(OH)334 | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 433.32855 | 4-OH-IndAc3(OH)334 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 217.16791 | 4-OH-IndAc3(OH)334 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | 4-OH-IndAc3(OH)334 | 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 432f | APCI-MS/MS | Link |
| A template approach for the characterization of linear polyamines and derivatives in spider venom | M. Tzouros, S. Chesnov, L. Bigler, S. Bienz, Eur. J. Mass Spectrom. 2013, 19, 57-69 | A. aperta | | APCI-MS/MS | 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 |