Predicted GC-MS Spectrum - GC-MS (TMS_3_54) - 70eV, Positive (MMDBc0033003)
Spectrum Details
| MiMe ID: | MMDBc0033003 |
|---|---|
| Compound Name: | 5,6,7,8-Tetrahydrofolic acid |
| Derivative IUPAC Name: | (2S)-2-{[4-({[2-amino-4-oxo-1,8-bis(trimethylsilyl)-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(trimethylsilyl)amino)phenyl]formamido}pentanedioic acid |
| Derivative SMILES: | C[Si](C)(C)N(CC1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C)C1=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C1 |
| Derivative InChIKey: | InChIKey=ZHWWHVLMPHERGZ-QWAKEFERSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_54) - 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: | C19H23N7O6 |
| Molecular Weight (Monoisotopic Mass): | 445.171 Da |
| Derivative Type: | TMS_3_54 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References