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. 2021 May 12;8:657073. doi: 10.3389/fmed.2021.657073

Table 2.

Statistical analysis of 38 differential metabolites in serum identified from the comparison of HSPN (+) vs. HSPN (–).

Differential metabolites Retention time (min) Mass-to-charge ratio VIP Fold change p-valuea Adjusted p-valueb Adduct
Oxalacetic acid 0.95 133.0135 2.70 2.14 <0.001 <0.001 M+H
PE-NMe (16:1/18:3) 7.28 726.5133 2.56 1.81 <0.001 <0.001 M+H
2-Methyl-3-pentenoic acid 1.89 132.1014 2.45 1.34 <0.001 <0.001 M+NH4
PE-NMe2 (18:4/14:0) 6.62 712.4977 2.47 1.81 <0.001 <0.001 M+H
Eicosapentaenoic acid* 7.25 303.2329 2.35 7.02 <0.001 <0.001 M+H
7-Hydroxyeicosatetraenoic acidc 6.52 319.2283 2.30 7.50 <0.001 <0.001 M–H
PS (14:0/24:0) 7.13 820.6026 2.29 1.38 <0.001 <0.001 M+H
TG (18:4/14:1/20:5) 7.04 865.6317 2.27 1.38 <0.001 <0.001 M+Na
Glycerophosphocholine 0.66 280.0938 2.18 0.65 <0.001 <0.001 M+Na
PC (14:1/P-16:0) 7.52 688.5217 2.23 1.35 <0.001 <0.001 M+H
Linoleyl carnitine 6.15 424.344 2.22 1.80 <0.001 <0.001 M+H
PC (22:6/24:1) 6.52 938.6656 2.17 1.37 <0.001 <0.001 M+Na
PE (P-18:1/14:0) 6.96 674.5069 2.14 1.34 <0.001 <0.001 M+H
5b-Cholestane-3a,7a,12a,23-Tetrol 11.04 437.3639 2.11 0.58 <0.001 <0.001 M+H
PS (22:6/24:1) 11.79 935.6486 2.10 0.76 <0.001 <0.001 M+NH4
8alpha-Hydroxy-gama-tocopherone 10.41 433.3692 2.09 0.61 <0.001 <0.001 M+H
6,10,14-Trimethyl-5,9,13- 11.90 263.2382 2.08 0.42 <0.001 <0.001 M+H
Pentadecatrien-2-one
Phenylpropiolic acid 1.25 147.0443 2.04 1.32 <0.001 <0.001 M+H
Cystathionine ketimine 3.04 204.0329 2.04 1.25 <0.001 <0.001 M+H
2-Hydroxyhexadecanoylcarnitine 6.47 426.3589 1.97 1.66 <0.001 <0.001 M+H
Ribothymidinec 0.64 257.0788 1.96 1.73 <0.001 <0.001 M–H
Cinnamic acid 3.04 149.0594 1.95 1.16 <0.001 <0.001 M+H
6Z,9Z-octadecadienoic acid 10.70 281.2483 1.94 0.62 <0.001 <0.001 M+H
Choline* 0.65 104.1074 1.89 1.46 <0.001 <0.001 M+H
Dihydroxyacetonec 0.65 89.02451 1.88 1.63 <0.001 <0.001 M–H
β-Pseudouridinec* 1.29 243.0626 1.82 1.44 <0.001 <0.001 M–H
Cis-vaccenic acid* 8.59 300.2904 1.77 1.26 <0.001 <0.001 M+NH4
LysoPA (20:4/0:0)c 6.65 457.2372 1.76 2.28 <0.001 <0.001 M–H
5-(3-methoxyphenyl)-4-(sulfooxy) 0.58 327.0523 1.64 1.29 <0.001 <0.001 M+Na
Pentanoic acid
L-Carnitine* 0.67 162.1129 1.64 0.82 <0.001 <0.001 M+H
Tryptophyl-Phenylalanine 4.63 352.1637 1.62 0.70 <0.001 <0.001 M+H
PE (P-16:0e/0:0) 7.05 438.2994 1.62 1.65 <0.001 <0.001 M+H
Benzoic acid 1.69 123.0436 1.62 1.25 <0.001 <0.001 M+H
Galbanic acidc 5.36 397.2054 1.52 0.55 <0.001 <0.001 M–H
LysoPC (15:0)* 7.83 482.3255 1.51 1.47 <0.001 <0.001 M+H
3-Pyridinebutanoic acidc 2.87 164.0721 1.46 1.31 <0.001 0.001 M–H
1-Pyrroline-4-hydroxy-2-Carboxylatec 0.68 128.0356 1.44 1.47 <0.001 <0.001 M–H
Aminocaproic acidc 1.23 130.0877 1.35 1.24 0.008 0.034 M–H
*

means that the metabolites were confirmed with reference compounds.

The metabolites were listed in a decreasing order based on variable importance in the projection (VIP) values.

Fold change with a value >1 indicates a relatively higher concentration present in the HSPN (+) patients.

a

p-values from Mann–Whitney U-test;

b

Adjusted by false discovery rate correction across all the metabolites within the comparison.

c

means that the metabolite was detected in the negative ion mode. PE, Phosphatidylethanolamine; PS, Phosphatidylserine; TG, Triglyceride; PC, Phosphatidylcholine; LysoPA, Lysophosphatidic acid; LysoPC, lysophosphatidylcholine.