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4-OH-Bz3(OH)335(NMe₂)
335(NMe2).png)
335(NMe2)_Aa.png?classes=border)
335(NMe2)_Aa_2.png?classes=border)
General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / A. aperta |
| Synonym | — |
| Molecular formula | C₂₃H₄₃N₅O₃ |
| CAS | — |
| SMILES | O=C(C1=CC=C(O)C=C1)NCCCN(O)CCCNCCCNCCCCCN(C)C |
| InChI | InChI=1S/C23H43N5O3/c1-27(2)18-5-3-4-13-24-14-6-15-25-16-7-19-28(31)20-8-17-26-23(30)21-9-11-22(29)12-10-21/h9-12,24-25,29,31H,3-8,13-20H2,1-2H3,(H,26,30) |
| |
| Precursor 1 [M+H]⁺ | 438.34387 |
| Precursor 2 [M+2H]²⁺ | 219.67557 |
| Precursor 3 | |
| |
| HDX | 5 |
| Precursor HDX 1 [M(D₅)+D]⁺ | 444.38153 |
| Precursor HDX 2 [M(D₅)+2D]²⁺ | 223.19754 |
| Precursor HDX 3 | |
| |
| Rt | 5.38 |
| Rt HDX | 4.01 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 178.08626 | 160.07569 | 161.05971 | 211.10772 | 114.12773 | 97.10118 | 131.15428 |
| 2 | 251.13902 | 233.12845 | 234.11247 | 268.16557 | 171.18558 | 154.15903 | 188.21212 |
| 3 | 308.19687 | 290.18630 | 291.17032 | 325.22342 | 228.24342 | 211.21688 | 261.26489 |
| 4 | 393.28602 | 375.27545 | 376.25947 | 438.34387 | 301.29619 | 284.26964 | 318.32274 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 98.09643 | y2’ |
| 121.02841 | a0 |
| 126.12773 | z2-HNMe₂ |
| 183.18558 | z3-HNMe₂ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 438.34387 | | A. aperta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 219.67557 | | 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 |