Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive (FDB022033)
Spectrum Details
FooDB ID: | FDB022033 |
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Compound Name: | 18-Hydroxycortisol |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]12 |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 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: | C21H30O6 |
Molecular Weight (Monoisotopic Mass): | 378.2042 Da |
Derivative Type: | TMS_2_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C(=O)CO[Si](C)(C)C)[C@@]3(CO)C[C@H](O)[C@@H]12)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 763 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available