Predicted GC-MS Spectrum - GC-MS (TMS_6_2) - 70eV, Positive (MMDBc0031611)
Spectrum Details
| MiMe ID: | MMDBc0031611 |
|---|---|
| Compound Name: | Fe(III)dicitrate |
| Derivative IUPAC Name: | 2,2,10,10-tetramethyl-6-(2,2,6,6-tetramethyl-3,5-dioxa-2,6-disilaheptan-4-yl)-6,8-bis[(trimethylsilyl)oxy]-3,9-dioxa-2,10-disilaundecan-4-ol |
| Derivative SMILES: | C[Si](C)(C)OC(O)CC(CC(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=HLVJBPZQDRNYJU-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_2) - 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: | C12H28FeO14 |
| Molecular Weight (Monoisotopic Mass): | 452.0828 Da |
| Derivative Type: | TMS_6_2 |
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 | 764 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References