Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive (CDB004785)
Spectrum Details
| CDB ID: | CDB004785 |
|---|---|
| Compound Name: | Tetrahydrobiopterin |
| Derivative IUPAC Name: | (6R)-2-[bis(trimethylsilyl)amino]-6-[(1R,2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one |
| Derivative SMILES: | C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2 |
| Derivative InChIKey: | InChIKey=KDJJZDAMIWGRAT-UMNHJUIQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 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: | C9H15N5O3 |
| Molecular Weight (Monoisotopic Mass): | 241.1175 Da |
| Derivative Type: | TMS_2_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available