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Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive (T3D4159)
Spectrum Details
| T3DB ID: | T3D4159 |
|---|---|
| Compound Name: | Hippuric acid |
| Derivative IUPAC Name: | 2-[N-(tert-butyldimethylsilyl)-1-phenylformamido]acetic acid |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=CC=C1 |
| Derivative InChIKey: | InChIKey=RHNQOSQYQXDGPM-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 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: | C9H9NO3 |
| Molecular Weight (Monoisotopic Mass): | 179.0582 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=CC=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 656 Bytes |
| mzML formatted file (MZML) | Download file | 4.59 KB |
References
Not Available