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4-OH-IndAc3(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 | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₂H₃₈N₆O₄ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C(O)=CC=C2)NCCCN(O)CCCN(O)CCCNCCCN |
| InChI | InChI=1S/C22H38N6O4/c23-8-2-9-24-10-3-12-27(31)14-5-15-28(32)13-4-11-25-21(30)16-18-17-26-19-6-1-7-20(29)22(18)19/h1,6-7,17,24,26,29,31-32H,2-5,8-16,23H2,(H,25,30) |
| |
| Precursor 1 [M+H]⁺ | 451.30273 |
| Precursor 2 [M+2H]²⁺ | 226.15500 |
| Precursor 3 | |
| |
| HDX | 8 |
| Precursor HDX 1 [M(D₈)+D]⁺ | 460.35922 |
| Precursor HDX 2 [M(D₈)+2D]²⁺ | 231.18639 |
| Precursor HDX 3 | |
| |
| Rt | 7.95 |
| Rt HDX | 6.35 |
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 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 377.21833 | 359.20777 | 360.19178 | 394.24488 | 188.17574 | 171.14919 | 221.19720 |
| 4 | 434.27618 | 416.26562 | 417.24963 | 451.30273 | 261.22850 | 244.20195 | 278.25505 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 114.09134 | y2’ |
| 131.11789 | z2’ |
| 146.06004 | a’ |
| 174.05495 | a0 |
| 191.08150 | ta0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 451.30273 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 226.15500 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 451.30273 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 451.30273 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 451.30273 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 226.15500 | | 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 |
|---|
| 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 | 2020 / Y. M. Forster |
| Agelenopsis potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |