Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive (T3D4274)
Spectrum Details
| T3DB ID: | T3D4274 |
|---|---|
| Compound Name: | Porphobilinogen |
| Derivative IUPAC Name: | 3-(5-{[(tert-butyldimethylsilyl)amino]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1 |
| Derivative InChIKey: | InChIKey=QYIMNUSVFSUAHS-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C10H14N2O4 |
| Molecular Weight (Monoisotopic Mass): | 226.0954 Da |
| Derivative Type: | TBDMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)NCC1=C(CC(=O)O)C(CCC(=O)O)=C[NH]1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 742 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available