Molecular Formula

Theoretical Mass

Experimental Mass

Mass Diff. (ppm)

Average Score

Species

Score Mass

Score Isotope Abundance

Score Isotope Spacing

Number of compound found by molecular formula

Number of compound having structure correlate to degradation product

C-CP1

C₈H₁₉N₃O

173.1528

173.1525

−1.73

98.78

(M+H)+

99.00

97.39

99.99

852

2

C-CP2

C₉H₂₁N₃O

187.1685

187.1680

−2.59

98.27

(M+H)+

97.51

99.07

98.82

1634

4

C-CP3

C₇H₁₇NO₃

163.1208

163.1203

−3.35

98.17

(M+H)+

(M+Na)+

96.56

91.21

99.34

99.93

99.98

99.38

204

4

C-CP4

C₅H₁₃NO₂

119.0946

119.0953

6.05

95.13

(M+H)+

92.99

97.26

96.85

2

0

C-CP5

C₁₅H₂₀N₅O

286.1668

286.1668

−0.03

90.00

(M+H)+

100

66.03

98.77

39

4

C-CP6

C₃H₇N

57.0578

57.0577

−2.97

87.39

(M+H)+

(M+Na)+

96.57

99.59

99.86

98.21

48.25

50.00

18

4

C-CP7

C₆H₁₂N₂

112.1001

112.0997

−3.05

86.85

(M+H)+

98.33

99.42

48.81

6

3

C-CP8

C₇H₁₇N₃

143.1422

143.1418

−3.20

86.30

(M+H)+

97.37

99.41

48.40

463

2

C-CP9

C₄H₁₁NO₂

105.0790

105.0787

−2.51

86.24

(M+H)+

98.97

95.52

49.64

1

0

C-CP10

C₇H₁₉N₂O₄

195.1345

195.1340

−2.57

86.05

(M+H)+

97.42

97.44

49.67

0

0

C-CP11

C₁₅H₂₂N₂O

246.1732

246.1738

2.26

85.6

(M+H)+

(M+Na)+

(M+K)+

95.57

97.51

84.69

47.29

54.21

41.81

99.82

99.44

48.18

27,131

2

C-CP12

C₁₆H₂₂N₅O

300.1824

300.1821

−1.2

84.94

(M+H)+

99.05

90.99

49.48

23

2

C-CP13

C₁₅H₂₀N₄O₅

336.1434

336.1438

1.33

83.72

(M+H)+

98.68

87.33

49.46

633

8

C-CP14

C₁₂H₉N

167.0735

167.0727

−5.07

82.46

(M+H)+

92.03

52.08

99.78

123

1

C-CP15

C₁₅H₂₄N₅O

290.1981

290.1981

0

81.85

(M+H)+

(M+Na)+

100

98.86

93.94

76.69

31.06

49.16

7

1

C-CP16

C₂₀H₃₁N₆O₃

403.2458

403.2455

−0.71

81.64

(M+H)+

99.55

79.09

48.87

11

1

C-CP17

C₈H₂₁N₆

201.1828

201.1818

−4.61

80.66

(M+H)+

(M+Na)+

91.61

98.77

94.84

0

41.77

0

0

0