Predicted GC-MS Spectrum - 5,5'-Dithiobis(2-nitrobenzoic acid) GC-MS (TMS_1_1) - 70eV, Positive (HMDB0247202)
Spectrum Details
| HMDB ID: | HMDB0247202 |
|---|---|
| Compound Name: | 5,5'-Dithiobis(2-nitrobenzoic acid) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC(=O)C1=CC(SSC2=CC=C([N+](=O)[O-])C(C(=O)O)=C2)=CC=C1[N+](=O)[O-] |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 5,5'-Dithiobis(2-nitrobenzoic acid) 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: | C14H8N2O8S2 |
| Molecular Weight (Monoisotopic Mass): | 395.9722 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C1=CC(SSC2=CC=C([N+](=O)[O-])C(C(=O)O)=C2)=CC=C1[N+](=O)[O-])
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 737 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available