Predicted GC-MS Spectrum - (2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoic acid GC-MS (TBDMS_1_3) - 70eV, Positive (HMDB0258058)
Spectrum Details
HMDB ID: | HMDB0258058 |
---|---|
Compound Name: | (2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoic acid |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC(=O)C(N)CC2=C[NH]C3=CC=CC=C23)C=C1)C(=O)O |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - (2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoic acid GC-MS (TBDMS_1_3) - 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: | C20H21N3O4 |
Molecular Weight (Monoisotopic Mass): | 367.1532 Da |
Derivative Type: | TBDMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC(=O)C(N)CC2=C[NH]C3=CC=CC=C23)C=C1)C(=O)O)
Documentation
Document Description | Download | File Size |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available