Predicted GC-MS Spectrum - (5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoylcarnitine GC-MS (TMS_1_1) - 70eV, Positive (HMDB0241822)
Spectrum Details
| HMDB ID: | HMDB0241822 |
|---|---|
| Compound Name: | (5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoylcarnitine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCC=CCC1C(=O)CC(O)C1C=CC(CCC1=CC=CC=C1)O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - (5Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoylcarnitine GC-MS (TMS_1_1) - 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: | C30H43NO7 |
| Molecular Weight (Monoisotopic Mass): | 529.304 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCC=CCC1C(=O)CC(O)C1C=CC(CCC1=CC=CC=C1)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available