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. 2018 Nov 3;8(4):76. doi: 10.3390/metabo8040076

Table 2.

HR-MS and MS2 of the synthetic standard of VLCDCA 28:4 and VLCDCA 28:4 extracted from 3 mL of human plasma and semipurified by anion exchange chromatography. Collision energy of 25. ppm Std., ppm mass error for the synthetic standard; ppm Extract, ppm mass error for the human plasma lipid extract.

graphic file with name metabolites-08-00076-i001.jpg
Fragment Formula Calculated Anion ppm Std. ppm Extract
VLCDCA 28:4 C28H46O4 445.3323 0.62 1.07
H2O Loss C28H44O3 427.3217 0.39 0.30
CO2 and H2O Loss C27H44O 383.3319 0.05 0.44
CO2 Loss C27H46O2 401.3425 0.07 0.36
ω-1 C6H10O2 113.0608 0.09 0.14
ω-2 C9H14O2 153.0921 0.07 0.30
ω-2-H2O C9H12O 135.0815 0.14 0.89
α-1 C13H24O2 211.1703 0.14 0.66
α-1-H2O C13H22O 193.1597 0.31 0.92
α-2 C16H28O2 251.2016 0.34 0.48
α-2-H2O C16H26O 233.1910 0.13 0.13