Predicted GC-MS Spectrum - (1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol GC-MS (TBDMS_2_2) - 70eV, Positive (HMDB0247315)
Spectrum Details
| HMDB ID: | HMDB0247315 |
|---|---|
| Compound Name: | (1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)NC(CO[Si](C)(C)C(C)(C)C)C(O)C1=CC=C([N+](=O)[O-])C=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol GC-MS (TBDMS_2_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: | C9H12N2O4 |
| Molecular Weight (Monoisotopic Mass): | 212.0797 Da |
| Derivative Type: | TBDMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)NC(CO[Si](C)(C)C(C)(C)C)C(O)C1=CC=C([N+](=O)[O-])C=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available