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Table 2 List of assigned statistically significantly lipid molecules and change trend of biomarkers on plasma lipid profile in positive ion mode after comparison of IPF patient samples to control samples

From: Identification of the lipid biomarkers from plasma in idiopathic pulmonary fibrosis by Lipidomics

No. Code Calc m/z tR VIP Trenda Accepted Description LipidIon Element Lipid class P-Value
1 R1 1516.124 5.06 8.58719 CL(1′-[20:0/20:0],3′-[18:1/18:2]) M + H,M + Na,M + H + Na C85H160O17P2 Glycerophospholipids 7.90E-08***
2 R2 872.769 14.54 7.63644 TG(16:0/18:2/18:2)[iso3] M + H,M + NH4 C55H98O6 Glycerolipids 1.24E-07***
3 R3 806.567 4.52 6.33481 PC(22:6/16:0) M + H,M + Na,M + K,2 M + H,2 M + Na C46H80NO8P Glycerophospholipids 9.24E-07***
4 877.724 14.55 6.05829 TG(16:1/18:1/18:2)[iso6] M + Na,M + K,2 M + Na C55H98O6 Glycerolipids 0.2370
5 874.785 14.82 4.60354 TG(16:0/18:1/18:2)[iso6] M + H-H2O,M + H,M + NH4,M + Na,
M + K,2 M + NH4,2 M + Na
C55H100O6 Glycerolipids 0.1117
6 R4 782.567 4.23 4.39906 PA(17:2/22:1) M + ACN + H C42H77O8P Glycerophospholipids 0.0074**
7 903.739 14.55 3.8738 TG(16:1/18:1/20:3)[iso6] M + Na,M + K C57H100O6 Glycerolipids 0.0017**
8 R5 900.801 14.84 3.45942 TG(16:0/18:1/20:3)[iso6] M + NH4,M + Na C57H102O6 Glycerolipids 0.0174*
9 R6 902.816 15.11 3.44338 TG(16:0/18:3/20:0)[iso6] M + NH4,M + Na,2 M + Na C57H104O6 Glycerolipids 0.0035**
10 R7 666.618 14.64 3.39521 Stigmasteryl ester(16:1) M + H,M + NH4,M + K,2 M + NH4,2 M + Na C45H76O2 Stero lipids 7.79E-08***
11 R8 834.598 5.99 3.14588 PS(20:0/19:0) M + H-2H2O,M + H,M + Na,2 M + H,2 M + Na C45H88NO10P Glycerophospholipids 0.0019**
12 R9 369.352 14.65 3.00377 (E,E)-3,7,11-Trimethyl-2,
6,10-dodecatrienyl dodecanoate
M + H-2H2O C27H48O2 Fatty acids 7.31E-08***
13 R10 577.519 15.08 2.65073 DG(16:0/18:1/0:0) M + H-H2O C37H70O5 Glycerolipids 7.02E-08***
14 R11 848.769 14.77 2.49731 TG(16:0/16:1/18:1)[iso6] M + H,M + NH4,M + Na,M + K C53H98O6 Glycerolipids 0.0174*
15 R12 780.552 4.07 2.47828 PE(20:0/17:2) M + Na C42H80NO8P Glycerophospholipids 0.0232*
16 R13 603.535 15.07 2.44092 DG(O-16:0/18:1) M + Na C37H72O4 Glycerolipids 7.02E-08***
17 758.569 3.96 2.34541 PC(16:0/18:2) M + H C42H80NO8P Glycerophospholipids 0.5407
18 R14 701.558 3.58 2.32011 SM(d16:1/18:1) M + H,M + Na,M + K,2 M + H,2 M + Na C39H77N2O6P Sphingolipids 0.0006***
19 R15 496.339 0.75 2.29702 PC(0:0/16:0) M + H-H2O,M + H,M + Na,M + K,2 M + K C24H50NO7P Glycerophospholipids 0.0049**
20 R16 369.352 15.00 2.27907 3-Deoxyvitamin D3 M + H,M + NH4,2 M + H C27H44 Stero lipids 7.31E-08***
21 870.753 14.27 2.16619 TG(14:1/16:0/22:4)[iso6] M + NH4,M + Na,M + K C55H96O6 Glycerolipids 0.2829
22 R17 925.796 14.55 2.1151 TG(18:4/20:3/22:0)[iso6] M + H-2H2O C63H108O6 Glycerolipids 7.86E-08***
23 R18 801.682 10.78 2.06029 SM(d17:1/24:0) M + H,M + Na C46H93N2O6P Sphingolipids 1.85E-05***
24 899.709 13.99 1.99376 TG(16:1/18:2/20:4)[iso6] M + NH4,M + Na,M + K C57H96O6 Glycerolipids 0.1458
25 R19 546.352 1.24 1.88084 PS(22:0/0:0) M + H-2H2O C28H56NO9P Glycerophospholipids 0.0249*
26 873.693 13.97 1.87046 TG(15:1/17:1/20:4)[iso6] M + Na,M + K C55H94O6 Glycerolipids 0.1245
27 834.598 5.14 1.83438 PC(22:4/18:2) M + H,M + Na,2 M + Na C48H84NO8P Glycerophospholipids 0.4226
28 R20 832.580 5.49 1.81376 PC(20:2/18:2) M + Na,2 M + Na C46H84NO8P Glycerophospholipids 1.22E-06***
29 931.771 15.01 1.81008 TG(17:0/17:0/22:5)[iso3] M + Na C59H104O6 Glycerolipids 0.5582
30 786.601 4.84 1.76508 PC(18:1/18:1) M + H-H2O,M + H,M + K C44H84NO8P Glycerophospholipids 0.9026
31 1564.121 2.72 1.68796 PC(22:4/14:0) M + NH4,M + K,2 M + H C44H80NO8P Glycerophospholipids 0.2314
32 R21 603.532 14.82 1.64593 DG(18:0/18:2/0:0)[iso2] M + H-H2O C39H72O5 Glycerolipids 7.53E-08***
33 R22 575.503 14.54 1.62251 DG(16:0/18:2/0:0)[iso2] M + H-H2O C37H68O5 Glycerolipids 2.58E-07***
34 812.614 6.86 1.61868 PS(O-20:0/20:2) M + H-H2O,M + H C46H88NO9P Glycerophospholipids 0.0893
35 849.693 14.21 1.61511 TG(14:1/18:1/18:2)[iso6] M + NH4,M + Na,M + K C53H94O6 Glycerolipids 0.2829
36 904.831 15.36 1.53098 TG(17:0/18:1/19:1)[iso6] M + NH4,M + Na,M + K,2 M + Na C57H106O6 Glycerolipids 0.1615
37 R23 828.551 5.01 1.5305 PS(P-18:0/19:0) M + H-H2O,M + K C43H84NO9P Glycerophospholipids 0.0428*
38 R24 599.504 14.54 1.49112 DG(18:1/18:3/0:0)[iso2] M + H-H2O,M + H C39H68O5 Glycerolipids 1.21E-07***
39 901.725 13.34 1.48742 TG(16:0/16:0/22:6)[iso3] M + NH4,M + Na C57H98O6 Glycerolipids 0.7340
40 R25 955.759 13.01 1.48372 TG(19:1/22:6/22:6)[iso3] M + H-2H2O C66H102O6 Glycerolipids 3.56E-06***
41 925.724 14.16 1.46671 TG(12:0/22:2/22:6)[iso6] M + NH4,M + Na,M + K C59H98O6 Glycerolipids 0.1458
42 879.739 13.99 1.38113 GalCer(d18:1/26:1(17Z)) M + ACN + H C50H95NO8 Sphingolipids 0.7340
43 R26 601.518 14.53 1.36641 DG(18:1/18:2/0:0)[iso2] M + H-H2O C39H70O5 Glycerolipids 8.04E-07***
44 810.599 4.57 1.32667 PC(18:0/18:1) M + Na C44H86NO8P Glycerophospholipids 0.1534
45 R27 759.637 6.96 1.30466 SM(d18:1/20:0) M + H,M + Na,2 M + H C43H87N2O6P Sphingolipids 0.0139*
46 524.371 1.10 1.29548 PC(18:0/0:0) M + H,M + K C26H54NO7P Glycerophospholipids 0.2479
47 R28 830.566 3.80 1.25023 PC(22:6/18:2) M + H,M + Na C48H80NO8P Glycerophospholipids 0.0038**
48 R29 1620.182 4.50 1.22041 PI-Cer(d20:0/16:0) M + H-2H2O,M + K,2 M + H C42H84NO11P Glycerophospholipids 7.90E-08***
49 828.551 4.04 1.20343 PE(22:6/19:0) M + Na C46H80NO8P Glycerophospholipids 0.2060
50 R30 948.800 14.59 1.20004 TG(18:1/20:3/20:4)[iso6] M + NH4 C61H102O6 Glycerolipids 7.90E-08***
51 R31 794.602 4.86 1.19345 PC(20:3/P-18:1) M + H,M + Na,2 M + H C46H84NO7P Glycerophospholipids 1.93E-07***
52 R32 790.569 5.79 1.18604 PA(20:5/20:1) M + H-H2O,M + ACN + H C43H73O8P Glycerophospholipids 0.0012**
53 881.754 14.25 1.18421 TG(15:0/18:1/19:1)[iso6] M + Na C55H102O6 Glycerolipids 0.2829
54 1494.138 6.25 1.17806 CL(1′-[20:0/18:0],3′-[18:0/18:0]) M + H C83H162O17P2 Glycerophospholipids 0.5751
55 R33 851.708 13.63 1.14176 20:1-Glc-Sitosterol M + H-H2O C55H96O7 Stero lipids 0.0161*
56 R34 897.696 13.73 1.10216 TG(18:3/18:3/20:5)[iso3] M + H C59H92O6 Glycerolipids 0.0014**
57 542.321 0.60 1.09805 PC(20:5/0:0) M + H C28H48NO7P Glycerophospholipids 0.3318
58 1576.219 8.50 1.05263 PC(17:0/19:1) M + K,2 M + H C44H86NO8P Glycerophospholipids 0.2471
59 951.740 14.31 1.04393 TG(18:4/20:0/20:5)[iso6] M + Na,M + K C61H100O6 Glycerolipids 0.3918
60 896.768 14.27 1.01614 TG(18:1/18:2/18:3)[iso6] M + NH4,M + Na C57H98O6 Glycerolipids 0.9892
61 R35 920.768 14.30 1.01291 TG(16:0/20:3/20:5)[iso6] M + NH4,M + K C59H98O6 Glycerolipids 1.40E-06***
62 905.754 13.68 1.00186 TG(12:0/20:1/22:3)[iso6] M + Na C57H102O6 Glycerolipids 0.8811
  1. aChange trend of lipids on IPF patients vs controls. The levels of potential lipid biomarkers labeled with (↑) and (↓) represent up-regulation and down-regulation, respectively. The variable importance for projection (VIP) statistics and T-test were used applied to select significant variables leading to group separation. VIP value larger than 1.0 were considered statistically significant and significant differences in statistics were also defined by P values of < 0.05 (*), < 0.01 (**), and < 0.001 (***)