Predicted GC-MS Spectrum - Aclacinomycin X GC-MS (TMS_1_5) - 70eV, Positive (HMDB0247948)
Spectrum Details
| HMDB ID: | HMDB0247948 |
|---|---|
| Compound Name: | Aclacinomycin X |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4OC(C)=C(O[Si](C)(C)C)C=C4N)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)C1C(=O)OC |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Aclacinomycin X GC-MS (TMS_1_5) - 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: | C42H52N2O15 |
| Molecular Weight (Monoisotopic Mass): | 824.3368 Da |
| Derivative Type: | TMS_1_5 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4OC(C)=C(O[Si](C)(C)C)C=C4N)C(C)O3)C(C)O2)C2=C(C=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)C1C(=O)OC)
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