Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (T3D2701)
Spectrum Details
| T3DB ID: | T3D2701 |
|---|---|
| Compound Name: | Pyridoxine |
| Derivative IUPAC Name: | 4-(hydroxymethyl)-2-methyl-5-{[(trimethylsilyl)oxy]methyl}pyridin-3-ol |
| Derivative SMILES: | CC1=NC=C(CO[Si](C)(C)C)C(CO)=C1O |
| Derivative InChIKey: | InChIKey=MURLSRHORHRQPQ-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C8H11NO3 |
| Molecular Weight (Monoisotopic Mass): | 169.0739 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=NC=C(CO[Si](C)(C)C)C(CO)=C1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 740 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available