Predicted GC-MS Spectrum - 12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid GC-MS (TMS_1_1) - 70eV, Positive (HMDB0255480)
Spectrum Details
| HMDB ID: | HMDB0255480 |
|---|---|
| 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)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 (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: | C25H40N4O5 |
| Molecular Weight (Monoisotopic Mass): | 476.2999 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCC(CCCCCCCCCCC(=O)O[Si](C)(C)C)N(C)C1=CC=C([N+](=O)[O-])C2=NON=C12)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available