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Table 2 Retention times R t [min], quantifier ions, LODs [nmol∙L -1 , ppb], RSDs (%), coefficients of variation (R 2 ) and linear ranges [nmol∙L -1 , ppb] of compounds under study for blood and breath measurements

From: Blood and breath profiles of volatile organic compounds in patients with end-stage renal disease

VOC

CAS

Rt

Quantifier ion

Blood

Breath/room air

LOD

RSD

R2

Linear range

LOD

RSD

R2

Linear range

[min]

[nmol/L]

[%]

 

[nmol/L]

[ppb]

[%]

[ppb]

Propane, 2-methyl-

75-28-5

10.86

43

0.36

3.6

0.996

1.1-16

0.3

7

0.998

0.9-30

1,3-Butadiene

106-99-0

11.04

54

0.08

5

0.997

0.25-13

0.4

1.5

0.995

1.2-60

Acetonitrile

75-05-8

11.32

41

21

14

0.998

63-11000

4

8

0.999

11-150

n-Butane

106-97-8

11.78

43

0.13

3.5

0.999

0.4-16

0.2

4.5

0.988

0.6-100

2-Propenal

107-02-8

12.80

56

800

9

0.965

2500-25000

0.9

7

0.997

2.7-63

Furan

110-00-9

13.32

68

0.03

3

0.991

0.07-70

0.2

2

0.999

0.6-23

Propanal

123-38-6

13.42

58

1.5

5

0.991

4.5-1700

0.7

3

0.997

2-150

Acetone

67-64-1

13.56

58

-

-

-

-

0.8

3

0.999

2.4-10000

Dimethyl sulfide (DMS)

75-18-3

14.27

62

0.24

1.5

0.995

0.7-140

0.06

1.5

0.999

0.17-60

Butane, 2-methyl-

78-78-4

15.90

57

0.10

7

0.995

0.3-4

0.3

2

0.996

0.9-46

Isoprene

78-79-5

16.05

67

0.02

3.5

0.995

0.06-58

0.04

1.5

0.999

0.12-500

2-Pentene, (Z)-

627-20-3

16.41

55

0.02

6

0.989

0.06-3.5

0.15

2.5

0.998

0.45-20

n-Pentane

109-66-0

16.54

43

0.1

2.5

0.988

0.3-5

0.12

1.6

0.996

0.36-60

1,3-Pentadiene, (E)-

2004-70-8

16.75

67

0.02

3.4

0.999

0.06-2

0.07

1.5

0.999

0.2-20

1,3-Pentadiene, (Z)-

1574-41-0

16.86

67

0.02

4.5

0.997

0.06-1.5

0.07

2

0.998

0.2-13

2-Propenal, 2-methyl-

78-85-3

16.92

70

3

9

0.993

10-250

0.1

1

0.998

0.3-50

3-Buten-2-one

78-94-4

17.54

55

40

11

0.985

120-10000

0.2

7

0.998

0.6-23

Furan, 2-methyl-

534-22-5

18.05

82

0.02

3.5

0.993

0.06-6.5

0.08

2

0.998

0.24-18

2,3-Butanedione

431-03-8

18.06

86

10

13

0.986

30-4000

0.4

3.3

0.994

1-200

2-Butanone

78-93-3

18.11

43

0.4

6

0.999

1.3-3000

0.13

7

0.997

0.38-250

Furan, 3-methyl-

930-27-8

18.21

82

0.02

4

0.991

0.06-4

0.09

2

0.997

0.3-10

Ethyl Acetate

141-78-6

18.91

43

0.3

9

0.960

0.9-400

0.13

2.5

0.996

0.39-200

Thiophene

110-02-1

19.84

84

0.04

1

0.994

0.12-6.5

-

-

-

-

Pentane, 2-methyl-

107-83-5

19.95

43

0.3

1.5

0.993

0.9-5

0.17

1

0.999

0.53-150

1-Pentene, 2-methyl-

763-29-1

19.99

56

0.07

5.5

0.997

0.2-7

0.1

3.2

0.999

0.3-15

1-Hexene

592-41-6

20.17

56

0.03

5.5

0.997

0.09-10

0.2

1.7

0.999

0.6-70

Pentane, 3-methyl-

96-14-0

20.21

57

0.12

4

0.998

0.38-5

0.08

1.5

0.999

0.24-40

Benzene

71-43-2

20.32

78

0.04

3.2

0.995

0.12-8

0.11

3.8

0.998

0.33-36

n-Hexane

110-54-3

20.65

57

0.03

2.5

0.993

0.1-8

0.12

1.6

0.995

0.36-110

Pyrrole

109-97-7

20.81

67

0.5

14

0.982

1.5-100

-

-

-

-

Cyclohexane

110-82-7

21.33

56

0.07

3

0.996

0.21-6

0.1

6

0.997

0.3-100

Pyrimidine

289-95-2

21.64

80

7

12

0.990

20-950

-

-

-

-

2-Pentanone

107-87-9

21.88

43

1

8

0.975

3-1000

0.08

2.2

0.998

0.24-24

Furan, 2,5-dimethyl-

625-86-5

22.00

96

0.08

4

0.995

0.24-5.5

0.08

1.4

0.999

0.24-15

Sulfide, allyl methyl (AMS)

10152-76-8

22.05

88

0.1

2

0.998

0.3-15

0.14

2

0.999

0.43-15

Pyridine

110-86-1

22.05

79

0.6

9

0.988

2-450

0.04

9

0.975

0.12-100

Sulfide, methyl propyl (MPS)

3877-15-4

22.67

61

0.12

1.5

0.999

0.36-50

0.04

2.1

0.996

0.12-30

Hexane, 2-methyl-

591-76-4

23.60

85

0.07

3

0.990

0.2-4.5

0.09

3

0.998

0.26-11

1-Heptene

592-76-7

23.87

56

0.09

5

0.998

0.27-4.2

0.13

2

0.999

0.38-70

2-Heptene, (E)-

592-77-8

24.09

55

0.07

6

0.996

0.21-5.3

0.4

1.4

0.994

1.2-13

Toluene

108-88-3

24.26

91

0.02

7

0.998

0.06-15

0.05

3

0.993

0.15-30

n-Heptane

142-82-5

24.30

43

0.13

2

0.997

0.4-4

0.13

1.5

0.998

0.39-40

2-Hexanone

591-78-6

25.49

58

0.1

9

0.997

0.3-25

0.18

1

0.989

0.54-13

Heptane, 3-methylene-

1632-16-2

26.91

70

0.03

3

0.998

0.09-45

0.09

1

0.994

0.26-20

3-Octene, (E)-

14919-01-8

27.25

55

0.07

4

0.991

0.2-20

0.32

2

0.991

1-13

Cyclohexanone

108-94-1

27.41

55

1.3

13

0.999

4-700

0.12

8

0.956

0.34-80

p-Xylene

106-42-3

27.68

91

0.03

8

0.998

0.09-10

0.07

8

0.986

0.2-18

2-Cyclohexen-1-one

930-68-7

27.89

68

2

12

0.998

6-460

0.1

10

0.981

0.3-15

o-Xylene

95-47-6

27.95

91

0.03

7

0.998

0.09-11

0.08

9

0.991

0.24-10

4-Heptanone

123-19-3

28.29

71

0.17

9

0.997

0.5-430

0.05

6.3

0.978

0.16-17

3-Heptanone

106-35-4

28.51

57

0.44

11

0.998

1.3-350

0.2

5

0.977

0.6-6

2-Heptanone

110-43-0

28.68

43

0.6

10

0.997

1.8-320

0.1

6.3

0.995

0.3-9

Heptane, 2,4-dimethyl-

2213-23-2

92.01

85

0.06

6

0.975

0.2-3

0.1

6

0.987

0.3-9

α-Pinene

80-56-8

30.69

93

2

9

0.986

6-440

0.46

8

0.985

1.4-20

Furan, 2-pentyl-

3777-69-3

31.53

81

3.5

13

0.989

10-350

-

-

-

-

3-Carene

13466-78-9

32.09

93

1.4

8

0.997

4.2-280

0.6

5.3

0.954

1.8-12

m-Cymene

535-77-3

32.34

119

0.6

9

0.992

1.8-90

0.1

5.5

0.981

0.3-10

p-Cymene

99-87-6

32.62

119

1

9.5

0.993

3-160

0.1

6

0.973

0.3-21

DL-Limonene

138-86-3

32.84

68

1

9

0.983

3-1000

0.46

6

0.954

1.4-30

Eucalyptol

470-82-6

33.40

43

0.7

14

0.989

2-3

-

-

-

-

  1. Compounds are ordered with respect to increasing retention time.