Predicted GC-MS Spectrum - Vinorelbine GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0014505)
Spectrum Details
| HMDB ID: | HMDB0014505 |
|---|---|
| Compound Name: | Vinorelbine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCC1=C[C@@H]2CN(C1)CC1=C([NH]C3=CC=CC=C13)[C@@](C(=O)OC)(C1=CC3=C(C=C1OC)N(C)[C@H]1[C@](O[Si](C)(C)C(C)(C)C)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Vinorelbine GC-MS (TBDMS_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: | C45H54N4O8 |
| Molecular Weight (Monoisotopic Mass): | 778.3942 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCC1=C[C@@H]2CN(C1)CC1=C([NH]C3=CC=CC=C13)[C@@](C(=O)OC)(C1=CC3=C(C=C1OC)N(C)[C@H]1[C@](O[Si](C)(C)C(C)(C)C)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available