Predicted GC-MS Spectrum - GC-MS (TMS_4_16) - 70eV, Positive (MMDBc0031662)
Spectrum Details
MiMe ID: | MMDBc0031662 |
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Compound Name: | gamma-Glutamyl-gamma-butyraldehyde |
Derivative IUPAC Name: | 7-(2,2,7,7-tetramethyl-3-oxa-6-aza-2,7-disilaoct-4-en-6-yl)-2-[(trimethylsilyl)amino]-5-[(trimethylsilyl)oxy]hept-4-enoic acid |
Derivative SMILES: | C[Si](C)(C)NC(CC=C(CCN(C=CO[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O |
Derivative InChIKey: | InChIKey=FPMSRRXUWNHIQL-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_16) - 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 |
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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: | C9H16N2O4 |
Molecular Weight (Monoisotopic Mass): | 216.111 Da |
Derivative Type: | TMS_4_16 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 773 Bytes |
mzML formatted file (MZML) | Download file | 4.64 KB |
References