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1-Methyl-4-pyridinium carboxylate
General Description
| Name | Value |
|---|
| Level | S-1 / C-1 |
| Discovered | — / none |
| Synonym | |
| Molecular formula | C₇H₈NO₂ |
| CAS | 824-77-1 |
| SMILES | C[N+]1=CC=C(C(O)=O)C=C1 |
| InChI | InChI=1S/C7H7NO2/c1-8-4-2-6(3-5-8)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 | 1.19 |
| Rt HDX | |
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 | | 1-Methyl-4-pyridinium carboxylate (CAS 36455-39-7) | UZH, Bigler lab | Y. M. Forster |
References
| Title | Reference | Spider | Name | Content | Link |
|---|
| | | | | |
Spider species
| Spider species | Family | Discovered |
|---|
| | |
1-Methyl-4-pyridinium carboxylate and trigonelline can not be destinguished by Rt nor MS/MS.