Predicted GC-MS Spectrum - 12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0255480)
Spectrum Details
HMDB ID: | HMDB0255480 |
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Compound Name: | 12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CCCCCCC(CCCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C)N(C)C1=CC=C([N+](=O)[O-])C2=NON=C12 |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - 12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid 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: | C25H40N4O5 |
Molecular Weight (Monoisotopic Mass): | 476.2999 Da |
Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCC(CCCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C)N(C)C1=CC=C([N+](=O)[O-])C2=NON=C12)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 756 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available