Predicted GC-MS Spectrum - Vindesine GC-MS (TBDMS_1_2) - 70eV, Positive (HMDB0014454)
Spectrum Details
HMDB ID: | HMDB0014454 |
---|---|
Compound Name: | Vindesine |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CC[C@]1(O)C[C@H]2CN(CCC3=C([NH]C4=CC=CC=C34)[C@@](C(=O)OC)(C3=CC4=C(C=C3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - Vindesine GC-MS (TBDMS_1_2) - 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: | C43H55N5O7 |
Molecular Weight (Monoisotopic Mass): | 753.4101 Da |
Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC[C@]1(O)C[C@H]2CN(CCC3=C([NH]C4=CC=CC=C34)[C@@](C(=O)OC)(C3=CC4=C(C=C3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1)
Documentation
Document Description | Download | File Size |
---|---|---|
List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available