Table 1.
Component name | Observed m/z | Mass error (ppm) | Retention time (min) | Adducts | MSE fragments | Fold change (p value)a | |
---|---|---|---|---|---|---|---|
AsF vs CF | AsM vs CM | ||||||
LysoPC (20:4) | 544.3395 | −0.5 | 0.99 | +H | 184.07268, 258.10896 | +3.71 (0.32231) | +1.4 (0.021) |
LysoPC (15:0) | 482.3238 | −0.7 | 1.05 | +H | 184.10804, 258.10896 | +1.1 (0.69) | +2.44 (6.05E − 06)b,c |
LysoPC (16:0) | 496.3397 | 0.0 | 1.22 | +H | 184.07273, 258.1101 | +15 (0.225) | +3.38 (7.27E − 05)b |
LysoPC (18:1) | 522.3552 | −0.5 | 1.27 | +H | 184.07273, 258.1101 | +191 (0.098) | +1.77 (1.4E − 04)b |
PC (O-16:0/1:0) | 510.3555 | 0.2 | 1.43 | +H | 492.34431 | −1.0 (0.988) | +2.54 (4.94E − 06)b,c |
PC (20:4/16:0) | 782.5709 | 5.0 | 6.21 | +Na | 184.07263, 496.33883 | −10000 (5.27E − 03) | −1.5 (0.034) |
PC (16:0/18:2) | 758.5711 | 2.2 | 6.51 | +H | 184.07266, 496.33862, 502.32807 | −2.03 (0.09) | −1.8 (0.043) |
TG (16:0/18:1/20:1) | 904.8347 | 2.0 | 16.03 | +NH4 | 631.56710, 605.55007, 577.51907 | −1.4 (0.08) | −1.6 (2.34E − 03) |
TG (16:0/18:3/22:5) | 920.7724 | 2.5 | 14.96 | +NH4 | 647.5034, 625.5191, 573.48693 | +1.5 (0.032) | +1.3 (0.06) |
TG (16:1/18:2/22:6) | 918.7576 | −9.5 | 14.57 | +H | 647.49851, 621.48725, 573.48690 | +1.7 (9.52E − 03) | +1.0 (0.97) |
3-Deoxyvitamin D3 | 369.3510 | −0.1 | 15.72 | +H | 287.23, 233.2252, 215.1783, 161.1315, 147.1159 | +1.5 (0.0624) | +1.61 (4.0E − 04)b |
aFC, fold change in the specified comparisons. “+” indicates upregulation and “−” indicates downregulation. bp values significant also due to FDR. cp values significant also to Bonferroni test correction.