Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0032055)
Spectrum Details
MiMe ID: | MMDBc0032055 |
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Compound Name: | PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) |
Derivative IUPAC Name: | (2R)-3-{[(2-aminoethoxy)[(trimethylsilyl)oxy]phosphoryl]oxy}-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate |
Derivative SMILES: | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
Derivative InChIKey: | InChIKey=ASLFJRCRJVODOR-UQPCZJDCSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - 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 |
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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: | C45H76NO8P |
Molecular Weight (Monoisotopic Mass): | 789.5309 Da |
Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References