Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive (MMDBc0030066)
Spectrum Details
MiMe ID: | MMDBc0030066 |
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Compound Name: | Guanosine 3'-diphosphate 5'-triphosphate |
Derivative IUPAC Name: | {[hydroxy({[(2R,3S,4R,5R)-4-hydroxy-2-({[hydroxy({[hydroxy({hydroxy[(trimethylsilyl)oxy]phosphoryl}oxy)phosphoryl]oxy})phosphoryl]oxy}methyl)-5-{2-imino-6-[(trimethylsilyl)oxy]-3,9-dihydro-2H-purin-9-yl}oxolan-3-yl]oxy})phosphoryl]oxy}phosphonic acid |
Derivative SMILES: | C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)O)[C@H]1O |
Derivative InChIKey: | InChIKey=QJXJWKYKLZZPHL-SDBHATRESA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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: | C10H18N5O20P5 |
Molecular Weight (Monoisotopic Mass): | 682.9233 Da |
Derivative Type: | TMS_2_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)O)[C@H]1O)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available