Predicted GC-MS Spectrum - GC-MS (TMS_5_51) - 70eV, Positive (MMDBc0030197)
Spectrum Details
| MiMe ID: | MMDBc0030197 |
|---|---|
| Compound Name: | L-Ala-D-Glu-meso-A2pm |
| Derivative IUPAC Name: | (2R,6S)-2-[bis(trimethylsilyl)amino]-6-{[(4R)-4-carboxy-4-{[(2S)-1-hydroxy-2-[(trimethylsilyl)amino]propylidene]amino}-1-[(trimethylsilyl)oxy]butylidene]amino}-7-oxo-7-[(trimethylsilyl)oxy]heptanoic acid |
| Derivative SMILES: | C[C@H](N[Si](C)(C)C)C(O)=N[C@H](CCC(=N[C@@H](CCC[C@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O |
| Derivative InChIKey: | InChIKey=KSZFMXRHBRBZNT-FQUZAXHOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_51) - 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: | C15H26N4O8 |
| Molecular Weight (Monoisotopic Mass): | 390.1751 Da |
| Derivative Type: | TMS_5_51 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References