Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_2_7) - 70eV, Positive (HMDB0060930)
Spectrum Details
HMDB ID: | HMDB0060930 |
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Compound Name: | Hydromorphone 3-beta-O-glucuronide |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_2_7) - 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: | C23H27NO9 |
Molecular Weight (Monoisotopic Mass): | 461.1686 Da |
Derivative Type: | TBDMS_2_7 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available