Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive (MMDBc0031799)
Spectrum Details
MiMe ID: | MMDBc0031799 |
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Compound Name: | GMP |
Derivative IUPAC Name: | [(3-hydroxy-5-{6-hydroxy-2-[(trimethylsilyl)imino]-3,9-dihydro-2H-purin-9-yl}-4-[(trimethylsilyl)oxy]oxolan-2-yl)methoxy]phosphonic acid |
Derivative SMILES: | C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C)C=N2 |
Derivative InChIKey: | InChIKey=RJXNHZGQZXQHEC-UHFFFAOYNA-N |
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: | C10H14N5O8P |
Molecular Weight (Monoisotopic Mass): | 363.058 Da |
Derivative Type: | TMS_2_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C)C=N2)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available