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

B-CP1

C₇H₁₇NO₃

163.1208

163.1203

−3.34

97.95

(M+H)+

96.58

99.00

99.41

204

4

B-CP2

C₁₄H₂₄NO₅

286.1655

286.1665

3.81

92.78

(M+H)+

91.29

89.42

99.79

12

3

B-CP3

C₁₅H₂₂N₂O

246.1732

246.1739

2.85

90.24

(M+H)+

94.85

96.08

99.93

50.64

75.19

-

97.27

96.64

-

27,131

2

B-CP4

C₇H₉O₄

157.0501

157.0498

−1.49

87.23

(M+H)+

99.35

98.17

49.88

16

0

B-CP5

C₄H₁₁NO₂

105.0790

105.0787

−3.12

85.42

(M+H)+

(M+Na)+

98.41

98.86

95.77

-

47.03

-

1

0

B-CP6

C₁₆H₂₂N₅O

300.1824

300.1825

0.12

84.67

(M+H)+

99.99

88.25

49.74

23

2

B-CP7

C₉H₂₁N₃O

187.1685

187.1677

−4.05

83.91

(M+H)+

94.02

97.52

47.37

1634

4

B-CP8

C₈H₁₉N₃O

173.1528

173.1521

−4.26

83.14

(M+H)+

94.05

96.60

45.18

850

2

B-CP9

C₈H₁₆N₂O

156.1263

156.1258

−3.25

82.17

(M+H)+

96.95

84.48

49.83

5

0

B-CP10

C₁₅H₁₂N₆O

292.1073

292.1073

−0.02

81.91

(M+H)+

(M+Na)+

100.0

99.70

51.12

0

82.69

0

307

1

B-CP11

C₉H₂₁N₄O

201.1715

201.1720

2.31

81.48

(M+H)+

97.83

72.86

59.13

0

0