Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (T3D4113)
Spectrum Details
| T3DB ID: | T3D4113 |
|---|---|
| Compound Name: | Aristolochic acid |
| Derivative IUPAC Name: | trimethylsilyl 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylate |
| Derivative SMILES: | COC1=CC=CC2=C1C=C([N+](=O)[O-])C1=C(C(=O)O[Si](C)(C)C)C=C3OCOC3=C12 |
| Derivative InChIKey: | InChIKey=YJOOEYZQFMKETI-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C17H11NO7 |
| Molecular Weight (Monoisotopic Mass): | 341.0536 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC=CC2=C1C=C([N+](=O)[O-])C1=C(C(=O)O[Si](C)(C)C)C=C3OCOC3=C12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 747 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available