Predicted GC-MS Spectrum - Brassica napus non-fluorescent chlorophyll catabolite 3 GC-MS (TMS_2_10) - 70eV, Positive (HMDB0040917)
Spectrum Details
| HMDB ID: | HMDB0040917 |
|---|---|
| Compound Name: | Brassica napus non-fluorescent chlorophyll catabolite 3 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=CC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(C3C4=C(C(=O)C3C(=O)O[Si](C)(C)C)C(C)=C(CC3=C(CCO)C(C)=C(C=O)N3[Si](C)(C)C)[NH]4)[NH]2)NC1=O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Brassica napus non-fluorescent chlorophyll catabolite 3 GC-MS (TMS_2_10) - 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: | C34H38N4O8 |
| Molecular Weight (Monoisotopic Mass): | 630.269 Da |
| Derivative Type: | TMS_2_10 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=CC1=C(C)C(CC2=C(C)C(CCC(=O)O)=C(C3C4=C(C(=O)C3C(=O)O[Si](C)(C)C)C(C)=C(CC3=C(CCO)C(C)=C(C=O)N3[Si](C)(C)C)[NH]4)[NH]2)NC1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available