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4-OH-IndAc3334
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2001 / A. aperta |
| Synonym | AG 432a / AG 432c |
| Molecular formula | C₂₃H₄₀N₆O₂ |
| CAS | 1241987-21-2 |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCNCCCNCCCNCCCCN |
| InChI | InChI=1S/C23H40N6O2/c24-9-1-2-10-25-11-4-12-26-13-5-14-27-15-6-16-28-22(31)17-19-18-29-20-7-3-8-21(30)23(19)20/h3,7-8,18,25-27,29-30H,1-2,4-6,9-17,24H2,(H,28,31) |
| |
| Precursor 1 [M+H]⁺ | 433.32855 |
| Precursor 2 [M+2H]²⁺ | 217.16791 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 442.38504 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 222.19930 |
| Precursor HDX 3 | |
| |
| Rt | 5.62 |
| Rt HDX | 4.40 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 231.11280 | 213.10224 | 214.08626 | 248.13935 | 72.08078 | 55.05423 | 89.10732 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 129.13862 | 112.11208 | 146.16517 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 186.19647 | 169.16993 | 203.22302 |
| 4 | 416.30200 | 398.29144 | 399.27545 | 433.32855 | 243.25432 | 226.22777 | 260.28087 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 146.06004 | a’ |
| 174.05495 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 433.32855 | 4-OH-IndAc3343 / 4-OH-IndAc3433 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 217.16791 | 4-OH-IndAc3343 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-IndAc3343 / 4-OH-IndAc3433 | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 433.32855 | 4-OH-IndAc3343 / 4-OH-IndAc3433 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 217.16791 | 4-OH-IndAc3343 / 4-OH-IndAc3433 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-IndAc3343 / 4-OH-IndAc3433 | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 433.32855 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 433.32855 | 4-OH-IndAc3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 217.16791 | 4-OH-IndAc3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | 4-OH-IndAc3343 | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 433.32855 | | P. luctuosa | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | 4-OH-IndAc3343 | P. luctuosa | Fauna Laboratories Ltd., KAZ | 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 432a & AG 432c | APCI-MS/MS | Link |
| Development of a high-resolution MS-based method for the structural elucidation of polyamine spider toxins | S. Eichenberger, PhD-Thesis, University of Zurich 2009, 1-156 | A. aperta | AG 432c | APCI reduction artefact | Link |
| Decomposition of N-hydroxylated compounds during atmospheric pressure chemical ionization | S. Eichenberger, M. Méret, S. Bienz, L. Bigler, J. Mass. Spectrom. 2010, 45, 190-197 | A. aperta | AG 432c | APCI reduction artefact | 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 |
| Pireneitega luctuosa | Agelenidae | 2020 / Y. M. Forster |
AG 432c is an APCI reduction artefact.