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Table 2 Characterization of the top 20 differential metabolites in positive/negative polarity mode

From: Plasma metabolomic characterization of premature ovarian insufficiency

Compound_ID

Name

Formula

Fold change

log2FC

VIP

P value

Up/Down

Com_19056_pos

Arachidonoyl amide

C20H33NO

5.852882

2.549147

3.311601

2.54E-09

up

Com_6551_pos

3-Hydroxy-3-methylbutanoic acid

C5H10O3

0.305806

-1.70931

2.73131

7.48E-07

down

Com_2458_pos

Dihexyl nonanedioate

C21H40O4

2.270675

1.183121

2.448546

2.34E-05

up

Com_10406_pos

18-HETE

C20H32O3

1.904571

0.929466

2.283455

4.76E-05

up

Com_32725_pos

Lypressin Acetate

C46H65N13O12S2

3.42008

1.77403

2.260713

0.000158

up

Com_10863_pos

7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol

C15H28O2

4.176609

2.062332

2.209279

0.000276

up

Com_7281_pos

Nordiazepam

C15H11ClN2O

2.746943

1.457827

2.086147

0.00038

up

Com_19603_pos

Wogonin

C16H12O5

1.998795

0.999131

1.961295

0.001005

up

Com_26_pos

DL-Tryptophan

C11H12N2O2

0.788134

-0.34349

1.850143

0.00134

down

Com_5033_pos

N-Desmethyltramadol

C15H23NO2

2.134642

1.093994

1.848938

0.001829

up

Com_8626_pos

PC (18:1e/14:1)

C40H78NO7P

2.331238

1.221096

1.827355

0.001932

up

Com_416_pos

2-Hydroxycinnamic acid

C9H8O3

0.802959

-0.3166

1.815953

0.002184

down

Com_1594_pos

Theophylline

C7H8N4O2

0.551395

-0.85884

1.826479

0.002225

down

Com_7482_pos

Vanillin

C8H8O3

0.507377

-0.97887

1.877203

0.002407

down

Com_6942_pos

2-(2-oxo-2-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}ethoxy)acetic acid

C9H15N3O5

1.703716

0.768685

1.701999

0.003268

up

Com_27637_pos

Lenalidomide

C13H13N3O3

1.834114

0.875084

1.704982

0.003655

up

Com_2551_pos

Anacardic acid

C22H36O3

1.506996

0.591675

1.811478

0.003867

up

Com_1910_pos

Ethyl chrysanthemumate

C12H20O2

1.551453

0.63362

1.707027

0.004293

up

Com_6799_pos

6-Methoxy-2-naphthoic acid

C12H10O3

3.988188

1.995733

1.687129

0.004703

up

Com_11318_pos

(2 S)-2-(2-hydroxypropan-2-yl)-2 H,3 H,7 H-furo[3,2-g]chromen-7-one

C14H14O4

0.77809

-0.36199

1.76194

0.004857

down

Com_4006_neg

GM3 d36:1; [M-H]-

C59H108N2O21

10.5212

3.395227

2.89096

1.16E-06

up

Com_5032_neg

Cystine

C6H12N2O4S2

0.643636

-0.63568

1.87981

5.61E-05

down

Com_2157_neg

L-Aspartic acid

C4H7NO4

0.739742

-0.43491

1.854329

6.56E-05

down

Com_2414_neg

PG (16:0/18:1)

C40H77O10P

19.33564

4.273191

2.267279

6.84E-05

up

Com_1106_neg

LPA 18:0

C21H43O7P

0.646888

-0.62841

1.842277

7.03E-05

down

Com_2079_neg

Hexanoic acid

C6H12O2

0.693318

-0.52841

1.714559

0.000266

down

Com_2027_neg

L-Threonic acid

C4H8O5

0.731709

-0.45066

1.691488

0.000323

down

Com_8027_neg

7-Hydroxy-3,4-dihydrocarbostyril

C9H9NO2

0.479844

-1.05936

1.818085

0.000456

down

Com_282_neg

Uric acid

C5H4N4O3

0.780041

-0.35838

1.631659

0.000501

down

Com_5948_neg

Daidzein

C15H10O4

0.513087

-0.96272

1.670357

0.000862

down

Com_6265_neg

Undecanoic acid

C11H22O2

0.744988

-0.42471

1.638692

0.000888

down

Com_8167_neg

N-Acetyl-aspartic acid

C6H9NO5

0.718234

-0.47747

1.594997

0.000939

down

Com_1957_neg

5-amino-1-phenyl-1 H-pyrazole-4-carbonitrile

C10H8N4

0.619616

-0.69055

1.526146

0.001222

down

Com_9084_neg

(5ξ,9ξ)-17-Hydroxykaur-15-en-19-oic acid

C20H30O3

0.812237

-0.30003

1.547688

0.001713

down

Com_2039_neg

Lignoceric Acid

C24H48O2

1.472289

0.55806

1.915449

0.00181

up

Com_3369_neg

PC (18:0e/18:2)

C44H86NO7P

0.208414

-2.26248

1.815235

0.002232

down

Com_3826_neg

Methionine

C5H11NO2S

0.758644

-0.39851

1.53752

0.002317

down

Com_518_neg

LPE 18:0

C23H48NO7P

0.749874

-0.41528

1.482862

0.002971

down

Com_819_neg

LPC 18:2

C26H50NO7P

0.61738

-0.69577

1.46772

0.003112

down

Com_1334_neg

DL-β-Leucine

C6H13NO2

0.782392

-0.35404

1.462225

0.003406

down