Predicted GC-MS Spectrum - GC-MS (TMS_3_12) - 70eV, Positive (MMDBc0031605)
Spectrum Details
| MiMe ID: | MMDBc0031605 |
|---|---|
| Compound Name: | D-Glycero-D-manno-heptose 7-phosphate |
| Derivative IUPAC Name: | [(2R)-2-hydroxy-2-[(2R,3R,4R,5S)-5-hydroxy-3,4,6-tris[(trimethylsilyl)oxy]oxan-2-yl]ethoxy]phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)OC1O[C@H]([C@H](O)COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O |
| Derivative InChIKey: | InChIKey=YDUNNOMNYOTXGM-FFBPKAGASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_12) - 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: | C7H15O10P |
| Molecular Weight (Monoisotopic Mass): | 290.0403 Da |
| Derivative Type: | TMS_3_12 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References