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IndAc4
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2019 / div. |
| Synonym | — |
| Molecular formula | C₁₄H₁₉N₃O |
| CAS | 132502-14-8 |
| SMILES | O=C(NCCCCN)CC1=CNC2=C1C=CC=C2 |
| InChI | InChI=1S/C14H19N3O/c15-7-3-4-8-16-14(18)9-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,10,17H,3-4,7-9,15H2,(H,16,18) |
| |
| Precursor 1 [M+H]⁺ | 246.16009 |
| Precursor 2 [M+2H]²⁺ | 123.58368 |
| Precursor 3 | |
| |
| HDX | 4 |
| Precursor HDX 1 [M(D₄)+D]⁺ | 251.19147 |
| Precursor HDX 2 [M(D₄)+2D]²⁺ | 126.60251 |
| Precursor HDX 3 | |
| |
| Rt | 11.48 |
| Rt HDX | 10.12 |
Calculated MS/MS fragments
| # | a | b | c | ta | z | y | tz |
|---|
| 1 | 229.13354 | 211.12297 | 212.10699 | 229.13409 | 72.08078 | 55.05423 | 89.10732 |
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 | 246.16009 | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | A. potteri | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 246.16009 | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | HDX | | H. curta | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 246.16009 | | 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 |
|---|
| Biomimetic fabrication of gold nanoparticles on templated indole-3-acetic acid based nanofibers | S. N. Barnaby, S. H. Frayne, E. M. Smoak, I. A. Banerjee, Materials Science and Engineering C 2011, 31, 620-628 | | | Synthesis, NMR | 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 potteri | Agelenidae | 2020 / Y. M. Forster |
| Hololena curta | Agelenidae | 2020 / Y. M. Forster |
| Hololena sp. | Agelenidae | 2020 / Y. M. Forster |