Predicted GC-MS Spectrum - PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-21:0) GC-MS (TMS_1_2) - 70eV, Positive (HMDB0268315)
Spectrum Details
HMDB ID: | HMDB0268315 |
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Compound Name: | PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-21:0) |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CC/C=C\C[C@H](/C=C/C=C\C/C=C\C=C\[C@@H](O)/C=C\CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)O[Si](C)(C)C |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-21:0) GC-MS (TMS_1_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: | C46H79O10P |
Molecular Weight (Monoisotopic Mass): | 822.5411 Da |
Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC/C=C\C[C@H](/C=C/C=C\C/C=C\C=C\[C@@H](O)/C=C\CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)O[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 | 753 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available