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IndAc3(OH)33
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General Description
| Name | Value |
|---|
| Level | S-3 / C-1 |
| Discovered | 2020 / Hololena sp. |
| Synonym | — |
| Molecular formula | C₁₉H₃₁N₅O₂ |
| CAS | — |
| SMILES | O=C(CC1=CNC2=C1C=CC=C2)NCCCN(O)CCCNCCCN |
| InChI | InChI=1S/C19H31N5O2/c20-8-3-9-21-10-4-12-24(26)13-5-11-22-19(25)14-16-15-23-18-7-2-1-6-17(16)18/h1-2,6-7,15,21,23,26H,3-5,8-14,20H2,(H,22,25) |
| |
| Precursor 1 [M+H]⁺ | 362.25505 |
| Precursor 2 [M+2H]²⁺ | 181.63116 |
| Precursor 3 | |
| |
| HDX | 6 |
| Precursor HDX [M(D₆)+D]⁺ | 369.29899 |
| Precursor HDX 2 [M(D₆)+2D]²⁺ | 185.65627 |
| Precursor HDX 3 | |
| |
| Rt | 9.30 |
| Rt HDX | 7.55 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 215.11789 | 197.10732 | 198.09134 | 248.13935 | 58.06513 | 41.03858 | 75.09167 |
| 2 | 288.17065 | 270.16009 | 271.14410 | 305.19720 | 115.12297 | 98.09643 | 148.14444 |
| 3 | 345.22850 | 327.21794 | 328.20195 | 362.25505 | 188.17574 | 171.14919 | 205.20229 |
Additional MS/MS fragments
| m/z | Annotation |
|---|
| 130.06513 | a’ |
| 158.06004 | a0 |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 362.25505 | | 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 |
|---|
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |