Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive (MMDBc0000367)
Spectrum Details
MiMe ID: | MMDBc0000367 |
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Compound Name: | Pseudouridine |
Derivative IUPAC Name: | 5-[(2S,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(trimethylsilyl)oxy]oxolan-2-yl]-3-(trimethylsilyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione |
Derivative SMILES: | C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O |
Derivative InChIKey: | InChIKey=QWQFWYPMEURDOH-FVCCEPFGSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_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: | C9H12N2O6 |
Molecular Weight (Monoisotopic Mass): | 244.0695 Da |
Derivative Type: | TMS_2_7 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@H]1[C@H](C2=C[NH]C(=O)N([Si](C)(C)C)C2=O)O[C@H](CO)[C@H]1O)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available