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IndAc3(OH)3343Ac
3343Ac.png)
3343Ac_Aa.png?classes=border)
3343Ac_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₈H₄₉N₇O₃ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCN(O)CCCNCCCNCCCCNCCCNC(C)=O |
| InChI | InChI=1S/C28H49N7O3/c1-24(36)32-18-7-16-30-13-5-4-12-29-14-6-15-31-17-8-20-35(38)21-9-19-33-28(37)22-25-23-34-27-11-3-2-10-26(25)27/h2-3,10-11,23,29-31,34,38H,4-9,12-22H2,1H3,(H,32,36)(H,33,37) |
| |
| Precursor 1 [M+H]⁺ | 532.39696 |
| Precursor 2 [M+2H]²⁺ | 266.70212 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 540.44718 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 271.23037 |
| Precursor HDX 3 | |
| |
| Rt | 10.97 |
| Rt HDX | 9.34 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 248.13935 | 100.07569 | 83.04914 | 117.10224 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 171.14919 | 154.12264 | 188.17574 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 228.20704 | 211.18049 | 245.23359 |
| 4 | 416.30200 | 398.29144 | 399.27545 | 433.32855 | 285.26489 | 268.23834 | 318.28635 |
| 5 | 473.35985 | 455.34929 | 456.33330 | 532.39696 | 358.31765 | 341.29110 | 375.34420 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 112.11208 | y2’ |
| 115.12297 | z2’ |
| 130.06513 | a’ |
| 169.16993 | y3’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 532.39696 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 266.70212 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 532.39696 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 266.70212 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 532.39696 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 532.39696 | | Hololena sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 266.70212 | | 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 |