Predicted GC-MS Spectrum - GC-MS (TMS_5_19) - 70eV, Positive (MMDBc0029756)
Spectrum Details
| MiMe ID: | MMDBc0029756 |
|---|---|
| Compound Name: | alpha,alpha-Trehalose 6-phosphate |
| Derivative IUPAC Name: | ({4,5-dihydroxy-3-[(trimethylsilyl)oxy]-6-({3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl}oxy)oxan-2-yl}methoxy)phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)OCC1OC(OC2OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ANMJFYVBUTZEGW-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_19) - 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: | C12H23O14P |
| Molecular Weight (Monoisotopic Mass): | 422.0825 Da |
| Derivative Type: | TMS_5_19 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References