Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive (MMDBc0031407)
Spectrum Details
MiMe ID: | MMDBc0031407 |
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Compound Name: | PS(19:0cycv8c/10:0(3-OH)) |
Derivative IUPAC Name: | (2S)-3-({[(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-({3-[(trimethylsilyl)oxy]decanoyl}oxy)propoxy](hydroxy)phosphoryl}oxy)-2-[(trimethylsilyl)amino]propanoic acid |
Derivative SMILES: | CCCCCCCC(CC(=O)O[C@H](COC(=O)CCCCCCCCCC1CC1CCCCCC)COP(=O)(O)OC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=PYVCRDTWAMYMNR-RLAZOQPPSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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: | C35H66NO11P |
Molecular Weight (Monoisotopic Mass): | 707.4373 Da |
Derivative Type: | TMS_2_5 |
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 | 773 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References