Predicted GC-MS Spectrum - 3-[18-(2-Carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid GC-MS (TMS_1_5) - 70eV, Positive (HMDB0260021)
Spectrum Details
| HMDB ID: | HMDB0260021 |
|---|---|
| Compound Name: | 3-[18-(2-Carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCC1=C2/C=C3\[NH]/C(=C\C4=C(C)C(CCC(=O)O)=C(/C=C5\[NH]/C(=C\C(=C1C)[NH]2)C(C)=C5CCC(=O)O)N4[Si](C)(C)C)C(CC)=C3C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 3-[18-(2-Carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid GC-MS (TMS_1_5) - 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: | C34H40N4O4 |
| Molecular Weight (Monoisotopic Mass): | 568.305 Da |
| Derivative Type: | TMS_1_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCC1=C2/C=C3\[NH]/C(=C\C4=C(C)C(CCC(=O)O)=C(/C=C5\[NH]/C(=C\C(=C1C)[NH]2)C(C)=C5CCC(=O)O)N4[Si](C)(C)C)C(CC)=C3C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 740 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available