Predicted GC-MS Spectrum - GC-MS (TMS_5_9) - 70eV, Positive (MMDBc0030199)
Spectrum Details
| MiMe ID: | MMDBc0030199 |
|---|---|
| Compound Name: | L-Ala-gamma-D-Glu-Dap |
| Derivative IUPAC Name: | 5-{[6-imino-1-(trimethylsilyl)-1,6-dihydropyridin-2-yl]imino}-4-{[2,2,5,7,7-pentamethyl-6-(trimethylsilyl)-3-oxa-6-aza-2,7-disilaoctan-4-ylidene]amino}-5-[(trimethylsilyl)oxy]pentanoic acid |
| Derivative SMILES: | CC(C(=NC(CCC(=O)O)C(=NC1=CC=CC(=N)N1[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ITLOWPBNQQLCEV-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_9) - 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: | C13H19N5O4 |
| Molecular Weight (Monoisotopic Mass): | 309.1437 Da |
| Derivative Type: | TMS_5_9 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References