Predicted GC-MS Spectrum - Valrubicin GC-MS (TMS_2_8) - 70eV, Positive (HMDB0014529)
Spectrum Details
| HMDB ID: | HMDB0014529 |
|---|---|
| Compound Name: | Valrubicin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCCC(=O)OC=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=C(OC)C=CC=C4C3=O)C(O)=C2[C@@H](OC2CC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)C(C)O2)C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Valrubicin GC-MS (TMS_2_8) - 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: | C34H36F3NO13 |
| Molecular Weight (Monoisotopic Mass): | 723.2139 Da |
| Derivative Type: | TMS_2_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC(=O)OC=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=C(OC)C=CC=C4C3=O)C(O)=C2[C@@H](OC2CC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)C(C)O2)C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available