Predicted GC-MS Spectrum - GC-MS (TMS_5_5) - 70eV, Positive (MMDBc0009417)
Spectrum Details
| MiMe ID: | MMDBc0009417 |
|---|---|
| Compound Name: | Glutathionylspermidine I |
| Derivative IUPAC Name: | 5-[(1-{[2-({3-[(4-aminobutyl)amino]propyl}imino)-2-[(trimethylsilyl)oxy]ethyl]imino}-1-[(trimethylsilyl)oxy]-3-[(trimethylsilyl)sulfanyl]propan-2-yl)imino]-2-[(trimethylsilyl)amino]-5-[(trimethylsilyl)oxy]pentanoic acid |
| Derivative SMILES: | C[Si](C)(C)NC(CCC(=NC(CS[Si](C)(C)C)C(=NCC(=NCCCNCCCCN)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O |
| Derivative InChIKey: | InChIKey=DMAZKHPPXZXCMT-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_5) - 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: | C17H34N6O5S |
| Molecular Weight (Monoisotopic Mass): | 434.2311 Da |
| Derivative Type: | TMS_5_5 |
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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References