Predicted GC-MS Spectrum - GC-MS (TBDMS_4_31) - 70eV, Positive (CDB005167)
Spectrum Details
| CDB ID: | CDB005167 |
|---|---|
| Compound Name: | 7,8-Dihydroneopterin |
| Derivative IUPAC Name: | 3-[1-(tert-butyldimethylsilyl)-2-[(tert-butyldimethylsilyl)imino]-4-[(tert-butyldimethylsilyl)oxy]-1,2,7,8-tetrahydropteridin-6-yl]-3-[(tert-butyldimethylsilyl)oxy]propane-1,2-diol |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | InChIKey=LPDDSKLSDUCJOH-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_4_31) - 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: | C9H13N5O4 |
| Molecular Weight (Monoisotopic Mass): | 255.0968 Da |
| Derivative Type: | TBDMS_4_31 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N=C1N=C(O[Si](C)(C)C(C)(C)C)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available