Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (FDB000441)
Spectrum Details
FooDB ID: | FDB000441 |
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Compound Name: | gamma2-Solamarine |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO[Si](C)(C)C)C(OC7OC(C)C(O)C(O)C7O[Si](C)(C)C)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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
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: | C39H63NO11 |
Molecular Weight (Monoisotopic Mass): | 721.4401 Da |
Derivative Type: | TMS_2_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO[Si](C)(C)C)C(OC7OC(C)C(O)C(O)C7O[Si](C)(C)C)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 765 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available