Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (T3D0087)
Spectrum Details
T3DB ID: | T3D0087 |
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Compound Name: | 2,4-Dinitrophenol |
Derivative IUPAC Name: | tert-butyl(2,4-dinitrophenoxy)dimethylsilane |
Derivative SMILES: | CC(C)(C)[Si](C)(C)OC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-] |
Derivative InChIKey: | InChIKey=MCTFIXLXVHGSEQ-UHFFFAOYSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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 |
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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: | C6H4N2O5 |
Molecular Weight (Monoisotopic Mass): | 184.012 Da |
Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 741 Bytes |
mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available