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IndAc3(OH)335
335.png)
335_Aa.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₄H₄₂N₆O₂ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCN(O)CCCNCCCNCCCCCN |
| InChI | InChI=1S/C24H42N6O2/c25-11-4-1-5-12-26-13-6-14-27-15-7-17-30(32)18-8-16-28-24(31)19-21-20-29-23-10-3-2-9-22(21)23/h2-3,9-10,20,26-27,29,32H,1,4-8,11-19,25H2,(H,28,31) |
| |
| Precursor 1 [M+H]⁺ | 447.34420 |
| Precursor 2 [M+2H]²⁺ | 224.17574 |
| Precursor 3 | |
| |
| HDX | 7 |
| Precursor HDX 1 [M(D₇)+D]⁺ | 455.39442 |
| Precursor HDX 2 [M(D₇)+2D]²⁺ | 228.70398 |
| Precursor HDX 3 | |
| |
| Rt | 9.60 |
| Rt HDX | 7.83 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 248.13935 | 86.09643 | 69.06988 | 103.12297 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 143.15428 | 126.12773 | 160.18082 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 200.21212 | 183.18558 | 233.23359 |
| 4 | 430.31765 | 412.30709 | 413.29110 | 447.34420 | 273.26489 | 256.23834 | 290.29144 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 130.06513 | a’ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 447.34420 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. aperta | Fauna Laboratories Ltd., KAZ | 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 |