Factor m/z Ret. time (min) Ionization mode MSMS fragments­­­­­ Compound Species HMDB IDa Δppm P-valueb Fold changec Race 724.53126 21.861 ESI+ 583.40, 364.22, 361.28 PE (P-16:0/20:4) [M+H]+     08937           5.1 <1.00E-08 2.57 Race 750.54676 21.924 ESI+ 609.42, 390.31, 361.23 PE (P-18:1/20:4) [M+H]+ 11419 4.7 <1.00E-08 1.77 Race 751.55602 21.945 ESI+ 609.42, 390.27, 361.21 Isotope of PE (P-18:1/20:4) [M+H]+ 11419 6.4 <1.00E-08 1.98 Race 752.56303 22.071 ESI+ 611.43, 392.32, 361.28 PE (P-18:0/20:4)* [M+H]+ 11386 5.6 <1.00E-08 1.81 Race 753.56640 22.062 ESI+ 611.44, 392.28, 361.28 Isotope of PE (P-18:0/20:4)* [M+H]+ 11386 0.6 <1.00E-08 2.00 Race 754.58059 22.114 ESI+ 612.46, 392.34, 362.30 Isotope of PE (P-18:0/20:4)* [M+H]+ 11386 7.6 <1.00E-08 2.31 Race 776.56270 22.044 ESI+ 635.44, 392.33, 385.29 PE (P-18:0/22:6) [M+H]+ 11394 5.0 <1.00E-08 1.81 Race 778.57958 22.076 ESI+ 637.45, 392.22, 387.39 PE (P-18:0/22:5) [M+H]+ 11394 6.5 <1.00E-08 1.49 Race 732.55708 21.525 ESI+ 503.25, 311.18  Unknown       <1.00E-08 0.66 Race 733.56106 21.517 ESI+ 504.33, 311.32  Unknown       <1.00E-08 0.68 Race 195.08792 10.185 ESI+ Undetected  Unknown       <1.00E-08 0.26 Race 410.36418 20.121 ESI+ 392.29, 350.30, 326.28, 186.13, 168.11 8,11,14-Eicosatrienoylethanol-amide (DGLEA) [M+Isopro +H]+ 13625 1.9 <1.00E-08 0.23 Race 766.57813 21.844 ESI+ Undetected  Unknown       0.026 1.41 Race 818.61083 21.944 ESI+ 635.58, 550.35, 508.59 PC(P-18:0/22:6)* [M+H]+ 11262 6.2 0.026 1.45 Race 728.58275 21.400 ESI+ Undetected  Unknown       0.033 1.34 Race 917.84378 24.052 ESI+ 900.62, 618.43, 604.57  Unknown       0.033 0.62 Race 750.54772 21.853 ESI- 464.34, 303.26, 259.20 PE (P-18:0/20:4)* [M-H]- 11386 4.6 <1.00E-08 1.70 Race 776.56369 21.839 ESI- 464.31, 329.24 PE (P-18:0/22:5) [M-H]- 11393 4.7 0.014 1.56 Race 753.56665 21.715 ESI- Undetected  Unknown       0.018 1.43 Race 1013.78243 22.614 ESI- 835.69, 726.53, 702.55, 700.54, 329.28, 303.29 Unknown       <1.00E-08 1.52 Race 744.55806 21.645 ESI- 480.36, 281.21, 255.21 PC (16:0/18:1) [M-CH3]-   5.1 <1.00E-08 0.81 Race 745.56145 21.648 ESI- 480.33, 281.20, 255.23 Isotope of PC (16:0/18:1) [M-CH3]-   0.9 0.018 0.82 Race 746.56465 21.669 ESI- 481.34, 281.22, 255.19 Isotope of PC (16:0/18:1) [M-CH3]-   7.1 0.018 0.81 Gender 657.49937 20.826 ESI- Undetected Unknown       <1.00E-08 1.79 Gender 806.61063 21.954 ESI- Undetected Unknown       0.048 1.35 Smoking 177.10246 7.481 ESI+ 145.91, 120.01, 117.97, 97.85, 79.87 Cotinine [M+H]+   1.3 <1.00E-08 262 Smoking 567.38180 7.475 ESI+ 391.04, 177.15 Unknown       <1.00E-08 190 Smoking 568.38515 7.475 ESI+ 392.29, 177.09 Unknown       <1.00E-08 598 Smoking 745.56131 21.475 ESI+ Undetected Unknown       <1.00E-08 0.77 Smoking 743.61051 21.868 ESI- 711.10, 462.31, 279.26 Unknown       <1.00E-08 0.84 Smoking 757.62638 21.968 ESI- 739.04,717.26, 697.40, 667.07, 279.17, 271.23 Unknown       <1.00E-08 0.74 Smoking 769.62632 21.923 ESI- 751.03, 727.09, 709.24, 511.19, 279.24, 281.30 Unknown       <1.00E-08 0.85 Smoking 783.64208 22.036 ESI- 767.05, 710.95, 521.06 Unknown       <1.00E-08 0.82 Smoking 784.64551 22.036 ESI- 767.10, 711.98 Unknown       <1.00E-08 0.80

* Confirmed by reference standard, aHuman Metabolome Database, b P-values are based on ANOVA with BH correction ,cFold change based upon ratios of mean values for black/white, male/female or smoker/non smoker

Table 2: Significant lipidomic features associated with race, gender and smoking status.