Predicted GC-MS Spectrum - Pentacarboxyl porphyrinogen III GC-MS (TMS_2_15) - 70eV, Positive (HMDB0001957)
Spectrum Details
| HMDB ID: | HMDB0001957 |
|---|---|
| Compound Name: | Pentacarboxyl porphyrinogen III |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1=C(CCC(=O)O)C2=N/C1=C\C1=C(CCC(=O)O)C(C)=C(CC3N=C(/C=C4/C(CCC(=O)O[Si](C)(C)C)=C(CC(=O)O)/C(=C/2)N4[Si](C)(C)C)C(CCC(=O)O)=C3C)[NH]1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Pentacarboxyl porphyrinogen III GC-MS (TMS_2_15) - 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: | C37H40N4O10 |
| Molecular Weight (Monoisotopic Mass): | 700.2744 Da |
| Derivative Type: | TMS_2_15 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C(CCC(=O)O)C2=N/C1=C\C1=C(CCC(=O)O)C(C)=C(CC3N=C(/C=C4/C(CCC(=O)O[Si](C)(C)C)=C(CC(=O)O)/C(=C/2)N4[Si](C)(C)C)C(CCC(=O)O)=C3C)[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 | 4.66 KB |
References
Not Available