Table 2 The differential serum metabolites identified by the combination of GC-MS and LC-MS.

From: Identification of potential biomarkers and pathways involved in high-altitude pulmonary edema using GC-MS and LC-MS metabolomic methods

No.

m/z

RT (min) /Kovats RI

Plateform

Adducts

Formula

Metabolite name

VIP

P value

log2FC (H/C)

1

84.061

286647.23

GC-MS

 

C4H9NO2

Methyl L-alaninate

1.49

0.000126

-2.17

2

341

366098.03

GC-MS

 

C6H13NO2

Aminocaproic acid

2.12

3.03E-06

-3.16

3

147

373559.01

GC-MS

 

C4H6O4

Succinic acid

1.73

4.55E-09

-2.27

4

241.02

386103.6

GC-MS

 

C4H4N2O2

Uracil

1.79

2.56E-07

-2.47

5

255.04

419708.15

GC-MS

 

C5H6N2O2

Thymine

1.86

6.4E-08

-2.53

6

229.02

427201.5

GC-MS

 

C4H8N2O

Tetrahydro-2(1H)-pyrimidinone

1.83

7.62E-15

-2.08

7

172.1

440405.65

GC-MS

 

C3H4O4

Malonic acid

1.73

0.029576

-3.44

8

243.01

440867.8

GC-MS

 

C4H6N2O2

5-Methylhydantoin

1.71

5.65E-05

-2.33

9

268.01

514023.79

GC-MS

 

C6H5NO3

6-Hydroxynicotinic acid

2.24

9.4E-06

-3.94

10

217

527956.35

GC-MS

 

C12H23NO

1,2,9-Trimethyldecahydroquinol-4-ol

1.22

0.016962

-2.21

11

292.1

538522.44

GC-MS

 

C4H6O6

L-Tartaric acid

1.88

0.000553

-3.86

12

292.1

538555.77

GC-MS

 

C4H6O6

Tartaric acid

1.88

0.000566

-3.86

13

217.1

576920.31

GC-MS

 

C5H12O5

D-Arabinitol

1.30

0.007306

-2.30

14

254.03

589136.74

GC-MS

 

C5H4N2O4

Orotic acid

2.24

4.77E-13

-2.55

15

229.05

591374.82

GC-MS

 

C6H6O6

cis-Aconitic acid

2.37

2.76E-12

-3.40

16

429.09

606021.03

GC-MS

 

C7H6O4

2,6-Dihydroxybenzoic acid

1.63

0.005435

-2.15

17

296

607140.07

GC-MS

 

C7H5NO4

2,5-Pyridinedicarboxylic acid

2.01

8.07E-06

-4.41

18

245.04

638933.88

GC-MS

 

C5H8O6

2,4-Dihydroxypentanedioic acid

2.45

1.72E-07

-3.00

19

96.003

640974.47

GC-MS

 

C7H11N3O2

3-Methyl-L-histidine

2.37

2.64E-09

-2.94

20

102.1

653152.22

GC-MS

 

C9H6O3

4-Hydroxycoumarin

1.66

2.05E-06

2.06

21

204.1

669640.7

GC-MS

 

C6H14O6

Sorbitol

1.94

8.04E-05

-3.36

22

318.1

677846.96

GC-MS

 

C6H10O5

Conduritol-beta-epoxide

1.79

0.004654

-2.33

23

281

680488.97

GC-MS

 

C7H6O5

Gallic acid

2.19

2.61E-08

-4.20

24

350.15

835111.65

GC-MS

 

C11H26N2O6

Bis-Tris propane

2.45

2.98E-15

-3.11

25

361.16

946257.69

GC-MS

 

C12H22O11

Lactulose

1.84

4.01E-12

-2.28

26

273.1

953239.98

GC-MS

 

C12H22O11

beta-Sophorose

2.25

2.56E-12

-2.69

27

361.13

954457.08

GC-MS

 

C12H24O11

Lactitol

2.53

1.38E-12

-4.49

28

471.19

1020948.9

GC-MS

 

C15H10O5

Emodin

2.90

1.11E-05

-6.42

29

315.05

1061497.4

GC-MS

 

C10H14N5O

Adenosine monophosphate

2.17

1.59E-09

-3.41

30

255.15

1182566.4

GC-MS

 

C24H40O4

Deoxycholic acid

2.08

5.74E-08

-3.45

31

428.29

1200374.5

GC-MS

 

C24H40O4

Ursodiol

1.53

0.000449

-3.82

32

308.19

5.65345

LC-MS pos

[M+Na]+

C15H27NO4

2-Octenoylcarnitine

1.90

0.028104

-2.16

33

219

3.8386167

LC-MS neg

[M+FA-H]−

C6H6O4S

Phenol sulfate

1.97

0.000409

-2.56

34

217.02

5.04335

LC-MS neg

[M-H]−

C8H10O5S

2-(2-Hydroxyethyl)phenyl hydrogen sulfate

2.08

0.000856

-3.97

35

179.06

3.6280667

LC-MS neg

[M-H]−

C7H8N4O2

Theophylline

2.42

0.008288

3.74

36

203.13

5.3448333

LC-MS neg

[2M-H]−

C5H10O2

Valeric acid

2.46

1.62E-10

-2.17

37

203

4.6086

LC-MS neg

[M-H]−

C7H8O5S

3-Methoxyphenol sulfate

3.03

7.17E-05

-4.37

38

195.05

2.5261833

LC-MS neg

[M-H]−

C7H8N4O3

1,3-Dimethyluric acid

2.58

0.010392

2.80

39

160.1

0.70255

LC-MS pos

[M+H]+

C7H13NO3

(2R,3S)-3-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate

2.03

0.002502

-2.17

40

263.14

4.6945667

LC-MS pos

[M+H]+

C14H18N2O3

Prolylphenylalanine

2.50

0.049083

8.07

41

379.16

4.7259833

LC-MS neg

[2M-H]−

C8H14O5

3-Hydroxysuberic acid

2.73

1.08E-05

-3.11

42

217.1

4.0951333

LC-MS pos

[M+H-H2O]+

C12H14N2O3

5-Methoxytryptophan

2.39

0.000111

-2.68

43

149.03

3.44225

LC-MS neg

[M-H]−

C5H10O3S

2-Hydroxy-4-(methylthio)butyric acid

2.63

4.31E-05

2.05

44

433.24

11.534983

LC-MS neg

[M-H]−

C21H39O7P

LysoPA(0:0/18:2(9Z,12Z))

2.74

2.7E-21

-2.05

45

555.05

4.17075

LC-MS pos

[M+H]+

C18H18N8O

Ceftriaxone

3.41

0.006326

12.27

46

255.09

5.37075

LC-MS neg

[M+FA-H]−

C11H14O4

5-(3’,5’)-Dihydroxyphenyl-gamma-valerolactone

1.91

0.012118

-2.13

47

204.98

2.67115

LC-MS neg

[M-H]−

C6H6O6S

Pyrogallol-1-O-sulphate

1.74

0.003574

-2.96

48

226.07

4.2469333

LC-MS pos

[M+H]+

C10H11NO5

Vanilloylglycine

2.49

5.92E-07

-2.15

49

359.13

4.6598667

LC-MS neg

[M-H]−

C16H24O9

Deoxyloganic acid

2.45

0.000545

-2.50

50

225.08

5.3971667

LC-MS neg

[M-H]−

C11H14O5

Dihydrosinapic acid

1.74

0.030749

-2.33

51

329.16

6.5062667

LC-MS neg

[M-H]−

C16H26O7

Picrocrocin

2.71

0.003129

-3.64

52

163.12

0.7683167

LC-MS pos

[M+H]+

C10H14N2

Nicotine

3.33

0.000708

-2.71

53

546.28

10.386883

LC-MS pos

[M+H]+

C26H44NO9P

PS(20:4/0:0)

2.26

2.58E-09

-2.08

54

229.12

3.82735

LC-MS pos

[M+H]+

C10H16N2O4

(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

2.76

1.42E-08

-2.56

55

215

4.8505

LC-MS neg

[M-H]−

C8H8O5S

3-Acetylphenol sulfate

2.93

0.000125

-4.93

56

228

3.71805

LC-MS neg

[M-H]−

C8H7NO5S

3-Hydroxyindolin-2-one-sulfate

1.37

0.032104

-2.32

57

179.12

1.0545167

LC-MS pos

[M+H]+

C10H14N2O

2’-Hydroxynicotine

3.27

0.001252

-3.01

58

239.13

7.6003667

LC-MS neg

[M+FA-H]−

C12H18O2

Hexylresorcinol

2.41

6.89E-06

-2.16

59

349.04

6.4518

LC-MS neg

[M-H2O-H]−

C16H16O8S

3’-O-Methyl-(-)-epicatechin-7-O-sulphate

2.15

0.042546

3.40

60

318.16

4.30495

LC-MS pos

[M+H-H2O]+

C20H21N3O2

Tubastatin A

3.65

2.52E-05

5.30

61

231.11

4.9463167

LC-MS neg

[M-H2O-H]−

C13H17N2O3

Melatonin radical

1.52

0.032301

4.25

62

239.13

7.5109

LC-MS neg

[M+FA-H]−

C12H18O2

Cucujolide IV

2.35

1.57E-05

-2.67

63

236.13

6.3879333

LC-MS neg

[M+FA-H]−

C12H17NO

N-(2,6-Diethylphenyl)acetamide

2.44

4.04E-06

-2.15

64

317.03

5.46115

LC-MS neg

[M+FA-H]−

C11H12O6S

5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate

1.74

0.002674

-3.10

65

217.1

6.4531

LC-MS pos

[M+H]+

C12H12N2O2

L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid

2.78

0.040815

6.63

66

304.16

5.3494833

LC-MS pos

[M+H]+

C14H25NO4S

1-Oxononan-4-yl(2R)-2-acetamido-3-sulfanylpropanoate

2.03

0.000675

-2.51

67

264.2

8.5682333

LC-MS pos

[M+H]+

C16H25NO2

Hydroxy-alpha-sanshool

2.46

0.004571

-3.30

68

217.13

6.0701

LC-MS pos

[M+H]+

C13H16N2O

Cirazoline

2.66

0.041862

5.22

69

233.01

4.1824

LC-MS neg

[M+FA-H]−

C7H8O4S

Benzyl sulfate

1.69

0.006814

-2.23

70

251.1

3.83065

LC-MS neg

[M-H]−

C12H16N2O4

Serylphenylalanine

2.36

5.42E-06

-2.05

71

177.1

1.03665

LC-MS pos

[M+H]+

C10H12N2O

Cotinine

3.00

0.00034

-3.07

72

188.99

3.0646

LC-MS neg

[M-H]−

C6H6O5S

Dobesilic acid

2.13

1.32E-05

-2.26

73

281.14

7.7046

LC-MS neg

[M-H]−

C15H22O5

Pisumic acid

2.19

0.004218

-2.64

74

173.07

4.8963

LC-MS neg

[M-H]−

C10H10N2O

Indole-3-acetamide

2.45

0.027569

4.25

75

119.05

4.9463167

LC-MS neg

[M-H]−

C8H8O

Phenylacetaldehyde

2.57

8.97E-07

-2.26

76

320.18

4.8204833

LC-MS pos

[M+Na]+

C16H27NO4

Nona-4,6-dienoylcarnitine

2.02

0.044989

-2.71

77

155.11

5.6093

LC-MS neg

[M-H]−

C9H16O2

8-Nonenoic acid

1.94

0.000468

-2.18

78

515.26

3.9611833

LC-MS pos

[M+Na]+

C27H40O8

Sordarin

2.70

0.003718

2.08

79

236.13

6.24225

LC-MS neg

[M+FA-H]−

C12H17NO

4-Ethylmethcathinone

2.65

2.75E-06

-2.79

80

222.11

5.53525

LC-MS neg

[M+FA-H]−

C11H15NO

1-(2,3-Dihydro-5,6-dimethyl-1 H-pyrrolizin-7-yl)ethanone

2.63

1.71E-06

-2.48

81

195.05

2.0109333

LC-MS neg

[M+FA-H]−

C6H6N4O

7-Methylhypoxanthine

2.36

0.013473

2.08

82

253.09

1.0614167

LC-MS neg

[M+FA-H]−

C8H16O6

Ethyl beta-D-fructofuranoside

2.16

0.000286

-2.78

83

475.27

8.7346167

LC-MS neg

[M-H2O-H]−

C27H42O8

(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside

2.12

0.010454

-2.07

84

251.1

3.9423167

LC-MS neg

[M+FA-H]−

C11H14N2O2

Pheneturide

2.35

1.56E-06

-2.08

85

203.15

4.2276

LC-MS pos

[M+NH4]+

C13H15N

N-methyl-N-2-propynyl-1-indanamine

2.58

2.81E-09

-2.90

86

277.12

6.3122667

LC-MS pos

[M+Na]+

C12H18F4O

8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol

1.27

0.019586

2.62

87

259.15

6.5382667

LC-MS neg

[M+FA-H]−

C12H22O3

Ethyl 2-acetyloctanoate

1.99

0.01539

-2.31

88

253.03

4.8963

LC-MS neg

[M-H2O-H]−

C10H12N2O

7-Aminocephalosporanic acid

2.13

0.028103

3.50

89

227.1

3.8046

LC-MS neg

[M+FA-H]−

C9H14N2O2

Alaptide

2.46

8.65E-08

-2.46

90

560.33

9.04765

LC-MS pos

[M+H]+

C28H50NO8P

PC(0:0/20:4;O)

2.47

3.63E-07

-2.17

91

313.23

10.472467

LC-MS neg

[2M-H]−

C9H14O2

4-oxo-2-Nonenal-d3

2.42

2.31E-07

-2.16

92

270.1

4.30495

LC-MS pos

[M+Na]+

C11H13N5O2

(+-)-Carbovir

2.38

2.7E-06

-2.17

93

448.31

6.9963333

LC-MS neg

[M+FA-H]−

C25H41NO3

N-palmitoyl phenylalanine

2.29

4.42E-06

-2.03

94

543.26

8.7346167

LC-MS neg

[M-H]−

C25H40N2O11

Perindopril Acyl-beta-D-glucuronide

2.16

0.010071

-2.15

95

291.16

8.9347167

LC-MS neg

[M+FA-H]−

C16H22O2

alpha-Amylcinnamyl acetate

2.54

3.43E-10

-2.07

96

269.14

8.6399167

LC-MS neg

[M-H2O-H]−

C10H20N6O4

Arginylasparagine

2.46

1.59E-06

-2.82

97

377.15

4.28955

LC-MS neg

[M-H2O-H]−

C16H28O11

1-(3-Methylbutanoyl)-6-apiosylglucose

2.57

3.09E-06

-2.54

98

345.18

4.7280333

LC-MS pos

[M+H]+

C19H24N2O4

Formoterol

3.28

5.82E-07

2.42

99

244.99

4.9398

LC-MS pos

[M+Na]+

C8H5F3O2S

2-Thenoyltrifluoroacetone

2.54

1.68E-06

-2.29

100

343.08

6.4965833

LC-MS neg

[M+FA-H]−

C12H14N2O7

Sitostanol-beta

1.78

0.014565

-2.13

101

426.01

1.7101833

LC-MS neg

[M-H]−

C10H14N5O

Adenosine phosphosulfate

3.16

0.047952

-2.59

102

661.29

10.277983

LC-MS pos

[M+H]+

C34H44O13

Taccalonolide B

3.24

1.37E-05

2.89

103

215.04

5.5275667

LC-MS neg

[M+FA-H]−

C8H10O2S

Furfuryl thiopropionate

3.47

0.000787

-3.80

104

297.06

1.5985333

LC-MS neg

[2M-H]−

C4H7NO5

Threo-hydroxyaspartic acid

3.26

8.06E-08

2.43

105

888.63

11.257717

LC-MS neg

[M+FA-H]−

C47H90NO9P

PE(24:0/18:1(9Z)-O(12,13))

3.03

5.72E-08

-2.44

106

303.02

3.9423167

LC-MS neg

[M-H]−

C11H12O8S

Sinapic acid 4-O-sulfate

2.11

0.00467

-2.34

107

215.05

1.9458667

LC-MS pos

[M+H]+

C8H10N2O3S

7-Aminodesacetoxycephalosporanic acid

2.35

3.67E-07

-2.14

108

507.16

7.12165

LC-MS neg

[M+FA-H]−

C27H26O7

Euchrenone b3

2.43

0.000139

-2.29

109

326

4.17075

LC-MS pos

[M+K]+

C8H18NO4P

Vamidothion

3.08

0.002837

6.08

110

213.02

5.3340833

LC-MS neg

[M+FA-H]−

C8H8O2S

BBT(OH)2

8.17

0.001114

-4.46

111

332.19

6.5305667

LC-MS pos

[M+H-H2O]+

C22H25N2O2+

AO-080/43342692

2.68

0.00105

-4.45

112

241.99

1.74815

LC-MS neg

[M-H2O-H]−

C8H8NO7P

2-Nor-2-formylpyridoxal-5’-phosphate

2.81

0.003745

4.99

113

535.31

10.22055

LC-MS neg

[M-H]−

C33H44O6

Dihydrocelastryl diacetate

3.23

0.00256

-3.31

114

267.06

5.1582167

LC-MS neg

[M-H]−

C15H9FN2O2

Alconil

2.21

0.013852

2.17

115

304.99

4.17075

LC-MS pos

[M+K]+

C12H10O5S

Resorcinol sulfoxide

3.40

0.004449

4.66

116

191.01

1.5985333

LC-MS neg

[M-H]−

C5H8N2O4S

S-Nitroso-N-acetylcysteine

3.53

4.97E-11

2.13

117

357.2

10.478467

LC-MS pos

[M+H]+

C21H28N2OS

3-Methylthiofentanyl

2.21

2.64E-05

-2.16

118

178.11

1.03665

LC-MS pos

[M+H-H2O]+

C7H17NO5

Meglumine

3.01

0.000663

-2.83

119

242.05

0.7114833

LC-MS neg

[M-H2O-H]−

C11H11N5OS

2,6-Diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one

3.60

4.65E-06

-2.39

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