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Trigonelline
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | 2020 / div. |
| Synonym | |
| Molecular formula | C₇H₈NO₂ |
| CAS | 535-83-1 |
| SMILES | C[N+]1=CC(C(O)=O)=CC=C1 |
| InChI | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3/p+1 |
| |
| Precursor 1 M⁺ | 138.05495 |
| Precursor 2 | |
| Precursor 3 | |
| |
| HDX | 1 |
| Precursor HDX 1 M(D₁)⁺ | 139.06123 |
| Precursor HDX 2 | |
| Precursor HDX 3 | |
| |
| Rt | 1.21 |
| Rt HDX | 1.20 |
MS/MS fragments
| m/z | Molecular formula | Annotation |
|---|
| 138.05495 | C₇H₈NO₂ | M⁺ |
| 110.06004 | C₆H₈NO | [M-CO]⁺ |
| 94.06513 | C₆H₈N | [M-CO₂]⁺ |
Recorded MS/MS spectra
| pdf | Precursor | Co-eluting | Spider | Source | Author |
|---|
| Data | 138.05495 | | Trigonelline HCl (CAS 6138-41-6) | Sigma Aldrich | Y. M. Forster |
| Data | 138.05495 | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | HDX | | A. robustus | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | 138.05495 | | P. tristis | Spider Pharm, USA | Y. M. Forster |
| Data | 138.05495 | Homarine | Geolycosa sp. | Spider Pharm, USA | Y. M. Forster |
| Data | 138.05495 | Homarine | H. davidbowie | Alpha Biotoxin, BEL | Y. M. Forster |
| Data | 138.05495 | Homarine | Lycosa sp.3 | Fauna Laboratories Ltd., KAZ | Y. M. Forster |
| Data | 138.05495 | Homarine | P. viridans | Spider Pharm, USA | Y. M. Forster |
| Data | 138.05495 | | P. mexicanus | Spider Pharm, USA | Y. M. Forster |
| Data | HDX | | P. tristis | Spider Pharm, USA | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| | | | | |
Spider species
| Spider species | Family | Discovered |
|---|
| Atrax robustus | Atracidae | 2020 / Y. M. Forster |
| Geolycosa sp. | Lycosidae | 2020 / Y. M. Forster |
| Heteropoda davidbowie | Sparassidae | 2020 / Y. M. Forster |
| Lycosa sp. | Lycosidae | 2020 / Y. M. Forster |
| Peucetia viridans | Oxyopidae | 2020 / Y. M. Forster |
| Physocyclus mexicanus | Pholcidae | 2020 / Y. M. Forster |
| Plectreurys tristis | Plectreuridae | 2020 / Y. M. Forster |
1-Methyl-4-pyridinium carboxylate and trigonelline can not be destinguished by Rt nor MS/MS.