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Table 2 Metabolites detected by LC-Q-TOF–MS in the validation sample set (HTN-PDS patients with body mass index from normal to high (N–H))/high to normal (H-N)) and their biological variation

From: Weight changes in hypertensive patients with phlegm-dampness syndrome: an integrated proteomics and metabolomics approach

Rt Mass Name Formula Folder RV
Hypertensive patients with BMI from normal to high (N–H)
 883.853 923.7343 PC(22:2(13Z,16Z)/24:1(15Z)) C54H102NO8P − 4.2589 0.30
 488.784 493.3168 LysoPC(16:1(9Z)) C24H48NO7P − 1.3129 0.20
 502.977 520.2719 Dolichyl diphosphate C25H46O7P2 1.1990 0.10
 515.839 761.4996 PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H72NO8P 1.7277 0.10
 275.788 491.0008 dATP C10H16N5O12P3 − 1.3376 0.08
 863.462 858.5258 PI(16:0/20:4(5Z,8Z,11Z,14Z)) C45H79O13P 5.7789 0.06
 868.575 858.5692 All-trans-Decaprenyl diphosphate C50H84O7P2 5.7789 0.02
 256.068 432.066 Se-Adenosylselenohomocysteine C14H20N6O5Se 1.0574 0.02
 1170.565 412.0185 dIDP C10H14N4O10P2 − 2.4528 0.01
 277.447 482.9845 Cytidine triphosphate (CTP) C9H16N3O14P3 1.2429 0.01
Hypertensive patients with BMI from high to normal (H-N)
 1141.523 705.5309 PC(14:0/16:0) C38H76NO8P 6.4684 0.32
 652.833 420.3603 3b,5a,6b-Cholestanetriol C27H48O3 − 7.4571 0.16
 521.412 722.444 Octaprenyl diphosphate C40H68O7P2 2.4689 0.12
 190.274 141.0426 2-aminomuconic acid semialdehyde C6H7NO3 − 4.6339 0.10
 61.626 129.0426 Pyroglutamic acid C5H7NO3 6.5815 0.08
 223.019 189.0637 N-Acetyl-L-glutamic acid C7H11NO5 3.2199 0.06
 324.918 462.2618 Retinyl beta-glucuronide C26H38O7 4.5571 0.05
 89.597 168.0283 Uric acid C5H4N4O3 − 1.7995 0.03
 864.632 130.063 3-Methyl-2-oxovaleric acid C6H10O3 3.3563 0.02
 190.188 175.0633 3-Indoleacetic Acid C10H9NO2 − 1.0880 0.02
 66.389 190.0114 Oxalosuccinic acid C6H6O7 − 3.0817 0.02
 51.332 339.0468 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate C9H14N3O9P − 13.5318 0.01
 63.879 112.016 2-Furoic acid C5H4O3 − 2.4225 0.01
 625.18 362.2093 18-Hydroxycorticosterone C21H30O5 3.9819 0.01
  1. “Folder” refers to the “normal BMI vs. high BMI” change value; RV is the power of the metabolite to reflect the abnormal state in the disease
  2. LysoPC: Lysophosphatidylcholine; PC: Phosphatidylcholine