Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0033062)
Spectrum Details
MiMe ID: | MMDBc0033062 |
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Compound Name: | N-hexacosanylsphinganine |
Derivative IUPAC Name: | N-[(2S,3R)-3-hydroxy-1-[(trimethylsilyl)oxy]octadecan-2-yl]-N-(trimethylsilyl)hexacosanamide |
Derivative SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N([C@@H](CO[Si](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC)[Si](C)(C)C |
Derivative InChIKey: | InChIKey=QLBVLPCEGHGONH-NXWRKTHKSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C44H89NO3 |
Molecular Weight (Monoisotopic Mass): | 679.6842 Da |
Derivative Type: | TMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N([C@@H](CO[Si](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC)[Si](C)(C)C)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 759 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available