Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0054281)
Spectrum Details
| MiMe ID: | MMDBc0054281 |
|---|---|
| Compound Name: | 5-hydroxyectoine |
| Derivative IUPAC Name: | (4S,5S)-2-methyl-5-[(trimethylsilyl)oxy]-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid |
| Derivative SMILES: | CC1=NC[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)N1 |
| Derivative InChIKey: | InChIKey=MSFNUDOYGOJLKN-YUMQZZPRSA-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: | C6H10N2O3 |
| Molecular Weight (Monoisotopic Mass): | 158.0691 Da |
| Derivative Type: | TMS_1_1 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References