Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0031660)
Spectrum Details
| MiMe ID: | MMDBc0031660 |
|---|---|
| Compound Name: | Ferroxamine |
| Derivative IUPAC Name: | 25-acetyl-19-(trimethylsilyl)-3-{5-[(trimethylsilyl)amino]pentyl}-2,26,27-trioxa-3,8,14,19,25-pentaaza-1-ferrabicyclo[12.12.1]heptacosane-4,7,15,18-tetrone |
| Derivative SMILES: | CC(=O)N1CCCCCN([Si](C)(C)C)C(=O)CCC(=O)N2CCCCCNC(=O)CCC(=O)N(CCCCCN[Si](C)(C)C)O[Fe](O1)O2 |
| Derivative InChIKey: | InChIKey=KQLKQNWUTPVYEL-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C25H45FeN6O8 |
| Molecular Weight (Monoisotopic Mass): | 613.2648 Da |
| Derivative Type: | TMS_2_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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References