Predicted GC-MS Spectrum - 3-Cyanoalanine GC-MS (TMS_1_2) - 70eV, Positive (HMDB0245844)
Spectrum Details
HMDB ID: | HMDB0245844 |
---|---|
Compound Name: | 3-Cyanoalanine |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C[Si](C)(C)NC(CC#N)C(=O)O |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - 3-Cyanoalanine 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: | C4H6N2O2 |
Molecular Weight (Monoisotopic Mass): | 114.0429 Da |
Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)NC(CC#N)C(=O)O)
Documentation
Document Description | Download | File Size |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 735 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available