Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0031659)
Spectrum Details
| MiMe ID: | MMDBc0031659 |
|---|---|
| Compound Name: | ferroxamine minus Fe(3) |
| Derivative IUPAC Name: | 3-{[5-({3-[(5-aminopentyl)(hydroxy)carbamoyl]-1-[(trimethylsilyl)oxy]propylidene}amino)pentyl](hydroxy)carbamoyl}-N-[5-(N-hydroxyacetamido)pentyl]propanimidic acid |
| Derivative SMILES: | CC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(CCC(=O)N(O)CCCCCN)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=WGUUAEFEFNJVCD-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C25H48FeN6O8 |
| Molecular Weight (Monoisotopic Mass): | 616.2883 Da |
| Derivative Type: | TMS_1_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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References