Predicted GC-MS Spectrum - GC-MS (TMS_6_11) - 70eV, Positive (MMDBc0031637)
Spectrum Details
| MiMe ID: | MMDBc0031637 |
|---|---|
| Compound Name: | Tetrahydromonapterin |
| Derivative IUPAC Name: | 6-[(1S,2S)-1-hydroxy-2,3-bis[(trimethylsilyl)oxy]propyl]-1,5,8-tris(trimethylsilyl)-2-[(trimethylsilyl)amino]-1,4,5,6,7,8-hexahydropteridin-4-one |
| Derivative SMILES: | C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC([C@H](O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=JGQANBWUMWBLOF-OVOHSDETSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_11) - 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 |
|---|---|
| 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: | C9H15N5O4 |
| Molecular Weight (Monoisotopic Mass): | 257.1124 Da |
| Derivative Type: | TMS_6_11 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References