Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0000526)
Spectrum Details
| MiMe ID: | MMDBc0000526 |
|---|---|
| Compound Name: | 3-Methylglutarylcarnitine |
| Derivative IUPAC Name: | (3R)-3-{[(3S)-3-methyl-5-oxo-5-[(trimethylsilyl)oxy]pentanoyl]oxy}-4-(trimethylazaniumyl)butanoate |
| Derivative SMILES: | C[C@@H](CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)CC(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CHPAAXIURYHOEX-QWHCGFSZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C13H23NO6 |
| Molecular Weight (Monoisotopic Mass): | 289.1525 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H](CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)CC(=O)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available