Table 2 Non-targeted profiling of serum metabolites

Alanine

HMDB0000161

89.048

C₃H₇NO₂

1.464

1.544

1.021

1.092

Toluene

HMDB0034168

92.063

C₇H₈

1.619

1.767

1.286

1.861

Benzaldehyde

HMDB0006115

106.042

C₇H₆O

1.229

1.820

1.333

1.857

Proline

HMDB0251528

115.063

C₅H₉NO₂

1.467

1.641

1.125

0.977

Indole

HMDB0000738

117.058

C₈H₇N

1.470

1.661

1.325

1.779

Betaine

HMDB0000043

118.087

C₅H₁₂NO₂

1.746

1.495

1.326

1.725

Threonine

HMDB0000167

119.058

C₄H₉NO₃

1.799

1.477

1.365

1.735

Acetophenone

HMDB0033910

120.058

C₈H₈O

1.173

1.640

1.397

1.947

4-Hydroxybenzaldehyde

HMDB0011718

122.037

C₇H₆O₂

1.022

1.695

1.301

1.937

Pipecolic acid

HMDB0000070

129.079

C₆H₁₁NO₂

1.988

1.584

1.005

1.010

Glutaric acid

HMDB0000661

132.042

C₅H₈O₄

1.052

1.367

1.691

1.543

Aspartic acid

HMDB0000191

133.038

C₄H₇NO₄

1.467

1.061

1.478

1.704

Indole-3-carboxaldehyde

HMDB0029737

145.053

C₉H₇NO

1.397

1.673

1.000

0.991

Lysine

HMDB0000182

146.106

C₆H₁₄N₂O₂

2.150

1.891

1.395

1.862

Cinnamic acid

HMDB0000567

148.052

C₉H₈O₂

1.784

1.830

1.281

1.883

Histidine

HMDB0000177

155.069

C₆H₉N₃O₂

1.140

1.745

1.230

1.789

Succinylacetone

HMDB0000635

158.058

C₇H₁₀O₄

1.245

1.040

1.869

1.528

Indoleacetaldehyde

HMDB0001190

159.068

C₁₀H₉NO

1.365

1.634

1.320

1.743

Diethylmalonic acid

HMDB0251250

160.074

C₇H₁₂O₄

1.217

1.308

1.435

0.921

Phenylalanine

HMDB0000159

165.079

C₉H₁₁NO₂

1.804

1.113

1.284

1.836

Suberic acid

HMDB0000893

174.089

C₈H₁₄O₄

1.260

1.523

1.894

1.810

Arginine

HMDB0000517

174.112

C₆H₁₄N₄O₂

1.726

1.571

1.474

1.954

Indoleacrylic acid

HMDB0000734

187.063

C₁₁H₉NO₂

1.478

1.675

1.331

1.768

Tryptophan

HMDB0000929

204.090

C₁₁H₁₂N₂O₂

1.471

1.675

1.332

1.768

3-Hydroxysebacic acid

HMDB0000350

218.115

C₁₀H₁₈O₅

1.080

1.828

1.580

1.789

Pantothenic acid

HMDB0000210

219.111

C₉H₁₇NO₅

1.281

1.302

0.942

0.924

Biotin

HMDB0000030

244.088

C₁₀H₁₆N₂O₃S

1.171

1.271

2.806

1.757

Aspartyl-leucine

HMDB0028757

246.122

C₁₀H₁₈N₂O₅

1.537

1.131

1.501

1.353

Palmitoleamide

HMDB0256086

253.241

C₁₆H₃₁NO

1.138

1.612

1.192

0.938

O-Succinylcarnitine

HMDB0255869

261.121

C₁₁H₁₉NO₆

1.513

1.293

1.747

1.051

Dibutylphthalic acid

HMDB0251177

278.152

C₁₆H₂₂O₄

1.015

1.336

1.004

1.106

Diisobutyl phthalate

HMDB0013835

278.152

C₁₆H₂₂O₄

1.309

1.364

1.062

0.997

6-Hydroxypentadecanedioic acid

HMDB0031885

288.194

C₁₅H₂₈O₅

1.146

1.118

0.620

0.972

Palmitoylethanolamide

HMDB0002100

299.282

C₁₈H₃₇NO₂

1.347

1.440

1.371

1.976

Sphinganine

HMDB0000269

301.298

C₁₈H₃₉NO₂

1.237

1.034

0.954

1.139

Phytosphingosine

HMDB0004610

317.293

C₁₈H₃₉NO₃

1.608

1.295

1.134

1.143

Oleoylethanolamide

HMDB0002088

325.298

C₂₀H₃₉NO₂

1.085

1.224

1.033

2.055

Phenylalanyltyrosine

HMDB0256384

328.142

C₁₈H₂₀N₂O₄

1.154

1.142

1.963

0.749

Norethindrone acetate

HMDB0255731

340.204

C₂₂H₂₈O₃

1.633

1.098

1.414

1.441

11β-Prostaglandin F2α

HMDB0010199

354.241

C₂₀H₃₄O₅

1.705

1.058

1.816

1.072

1-Stearoylglycerol

HMDB0244009

358.308

C₂₁H₄₂O₄

1.213

1.560

0.970

1.016

Furanylfentanyl

HMDB0259455

374.199

C₂₄H₂₆N₂O₂

1.742

1.005

2.464

1.592

LysoPC(14:0/0:0)

HMDB0010379

467.301

C₂₂H₄₆NO₇P

1.172

1.051

1.138

1.055

LysoPC(P-16:0/0:0)

HMDB0010407

479.338

C₂₄H₅₀NO₆P

1.654

1.161

1.475

0.867

LysoPC(15:0/0:0)

HMDB0010381

481.317

C₂₃H₄₈NO₇P

1.506

1.207

1.367

1.021

LysoPE(20:0/0:0)

HMDB0011511

509.348

C₂₅H₅₂NO₇P

1.597

1.473

1.352

1.058

LysoPC(20:5/0:0)

HMDB0010397

541.317

C₂₈H₄₈NO₇P

1.005

1.009

1.138

1.056

LysoPC(20:0/0:0)

HMDB0010390

551.395

C₂₈H₅₈NO₇P

1.223

1.446

1.680

0.985

Sphingomyelin(d18:1/14:1)

HMDB0240612

672.520

C₃₇H₇₃N₂O₆P

1.104

1.607

1.100

1.031