Predicted GC-MS Spectrum - GC-MS (TMS_4_23) - 70eV, Positive (MMDBc0030080)
Spectrum Details
| MiMe ID: | MMDBc0030080 |
|---|---|
| Compound Name: | N-(5-Phospho-D-ribosyl)anthranilate |
| Derivative IUPAC Name: | 2-{[(3R,4R,5S)-5-[hydroxy({hydroxy[(trimethylsilyl)oxy]phosphoryl})methyl]-3,4-bis[(trimethylsilyl)oxy]oxolan-2-yl](trimethylsilyl)amino}benzoic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@H]1C(N(C2=CC=CC=C2C(=O)O)[Si](C)(C)C)O[C@H](C(O)P(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=DETYNCDCQSJVMK-YKGPTLKLSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_23) - 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: | C12H16NO9P |
| Molecular Weight (Monoisotopic Mass): | 349.0563 Da |
| Derivative Type: | TMS_4_23 |
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 | 766 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References