Predicted GC-MS Spectrum - Carminomycin II GC-MS (TMS_2_12) - 70eV, Positive (HMDB0249683)
Spectrum Details
HMDB ID: | HMDB0249683 |
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Compound Name: | Carminomycin II |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C=C(O[Si](C)(C)C)C1(O)CC2=C(O)C3=C(C(=O)C4=C(O)C=CC=C4C3=O)C(O)=C2C(OC2CC(N)C(OC(CC(C)O)OC(C)CO[Si](C)(C)C)C(C)O2)C1 |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - Carminomycin II GC-MS (TMS_2_12) - 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 |
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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: | C33H41NO13 |
Molecular Weight (Monoisotopic Mass): | 659.2578 Da |
Derivative Type: | TMS_2_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(O[Si](C)(C)C)C1(O)CC2=C(O)C3=C(C(=O)C4=C(O)C=CC=C4C3=O)C(O)=C2C(OC2CC(N)C(OC(CC(C)O)OC(C)CO[Si](C)(C)C)C(C)O2)C1)
Documentation
Document Description | Download | File Size |
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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