Predicted GC-MS Spectrum - 5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy- GC-MS (TMS_3_3) - 70eV, Positive (HMDB0246848)
Spectrum Details
| HMDB ID: | HMDB0246848 |
|---|---|
| Compound Name: | 5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy- |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)CC(C)O3)C(O[Si](C)(C)C)=C1C2=O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy- GC-MS (TMS_3_3) - 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
Relative Intensity
m/z
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: | C27H31NO10 |
| Molecular Weight (Monoisotopic Mass): | 529.1948 Da |
| Derivative Type: | TMS_3_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)CC(C)O3)C(O[Si](C)(C)C)=C1C2=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available