Predicted GC-MS Spectrum - Granatin A GC-MS (TBDMS_1_4) - 70eV, Positive (HMDB0039271)
Spectrum Details
HMDB ID: | HMDB0039271 |
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Compound Name: | Granatin A |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CC(C)(C)[Si](C)(C)OC12OC3=C(O)C(O)=CC4=C3C(C(=CC1=O)C(=O)OC1C3OC(COC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C3=O)C(OC4=O)C1O)C2(O)O |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - Granatin A GC-MS (TBDMS_1_4) - 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: | C34H24O22 |
Molecular Weight (Monoisotopic Mass): | 784.0759 Da |
Derivative Type: | TBDMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC12OC3=C(O)C(O)=CC4=C3C(C(=CC1=O)C(=O)OC1C3OC(COC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C3=O)C(OC4=O)C1O)C2(O)O)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 744 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available