Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0031534)
Spectrum Details
MiMe ID: | MMDBc0031534 |
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Compound Name: | 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0) |
Derivative IUPAC Name: | [3-(hexadecanoyloxy)-2-hydroxypropoxy]({2-[(trimethylsilyl)amino]ethoxy})phosphinic acid |
Derivative SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN[Si](C)(C)C |
Derivative InChIKey: | InChIKey=BPIQEVLJYUOMPW-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C21H44NO7P |
Molecular Weight (Monoisotopic Mass): | 453.2855 Da |
Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN[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 | 758 Bytes |
mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available