Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_4) - 70eV, Positive (HMDB0260128)
Spectrum Details
| HMDB ID: | HMDB0260128 |
|---|---|
| Compound Name: | (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_4) - 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: | C22H35N5O10 |
| Molecular Weight (Monoisotopic Mass): | 529.2384 Da |
| Derivative Type: | TMS_2_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available