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Table 3 Formula evaluated by multiple mass analysis

From: Separation of ursodeoxycholic acid by silylation crystallization

Minimum

4.00

   

−1.5

 

Maximum

100.00

 

5.0

5.0

50.0

 

Mass

Relative abundance

Calculated mass

mDa

PPM

Double bond equivalents

Formula

73.0472

34.67

73.0474

−0.2

−2.1

0.5

C3H9Si

147.0814

30.08

147.0841

−2.7

−18.6

0.5

C6H15O2Si

243.1238

4.43

243.1205

3.3

13.5

7.5

C15H19OSi

350.2317

14.64

350.2277

4.0

11.4

5.0

C20H34O3Si

413.2903

18.26

413.2876

2.7

6.6

7.5

C26H41O2Si

428.3123

28.07

428.3111

1.2

2.9

7.0

C27H44O2Si

446.3178

100.00

446.3216

−3.8

−8.6

6.0

C27H46O3Si

518.3611

45.94

518.3612

−0.1

−0.1

6.0

C30H53O3Si2

608.4114

100.00

608.4112

0.2

0.3

5.0

C33H64O4Si3

  1. Multiple mass analysis, 37 mass(es) processed. Tolerance = 5.0 mDa/double bond equivalents: min = −1.5, max = 50.0. Isotope cluster parameters: separation = 1.0, abundance = 1.0%.