Skip to main content
. 2021 Jul 27;9:670530. doi: 10.3389/fchem.2021.670530

TABLE 1.

LC-MS/LC-HRMS analysis of the ethyl acetate fraction of Sclerocarya birrea stem (bark) extract identified by MZCloud and ChemSpider.

No Name Formula Molecular weight Main fragment ions MS2 (m/z) Retention time (RT) Area (max)
1. N, N-Dimethyl aniline C8 H11 N 121.0896 107.0730 0.043 1.30E ± 07
122.0964
2. Vidarabine C10 H13 N5 O4 267.0971 85.0290 0.148 5.22E ± 07
136.0620
137.0458
268.1,049
3. N, N-Dimethyl aniline C8 H11 N 121.0895 107.0730 0.386 5.16E ± 07
122.0964
4. N, N-Dimethyl aniline C8 H11 N 121.0896 107.0730 0.493 2.08E ± 08
122.0964
5. DL-Isoleucine C6 H13 N O2 131.0949 69.0699 1.296 7.04E ± 07
86.0964
132.1019
6. DL-Norleucine C6 H13 N O2 131.0950 86.0964 1.601 6.00E ± 07
7. l-Phenylalanine C9 H11 N O2 165.0793 103.0542 1.937 2.80E ± 07
107.0491
120.0808
166.0863
8. Diisopropylethylamine C8 H19 N 129.1521 130.1590 2.046 5.58E ± 07
9. 2-Amino-1,3,4-octadecanetriol C18 H39 N O3 317.2935 318.3003 2.305 2.94E ± 07
10. N-Methyl-4-piperidone C6 H11 N O 113.0845 96.0813 2.371 3.48E ± 06
114.0917
11. 2-Amino-1,3,4-octadecanetriol C18 H39 N O3 317.2935 256.2634 2.856 2.45E ± 07
318.3005
12. N-Methyl-4-piperidone C6 H11 N O 113.0845 73.0814 3.005 2.31E ± 07
86.0970
96.0814
114.0918
13. N- Methyl-4-piperidone C6 H11 N O 113.0845 96.0814 3.175 9.02E ± 06
114.0918
14. 2-Amino-1,3,4-octadecanetriol C18 H39 N O3 317.2933 256.2435318.3003 11.240 1.62E ± 07
15. (+)-Catechin gallate C22 H18 O10 442.0886 123.0441 12.811 5.78E ± 06
139.0390
151.0390
153.0182
16. 1,8-Diazabicyclo [5.4.0]undec7-ene C9 H16 N2 152.1312 96.0184 12.833 2.00E ± 07
153.0586
17. 2-Amino-1,3,4-octadecanetriol C18 H39 NO3 317.2933 256.2435 13.440 2.42  ±  07
300.2897
318.3003
18. 2-Amino-1,3,4-octadecanetriol C18 H39 NO3 317.2934 85.1012 13.618 4.41E ± 07
256.2435
300.2897
318.3003
19. Gallic acid C7 H6 O5 170.0210 69.0346 13.653 1.22E ± 07
97.0295
125.0244
169.0143
20. Isophthalic acid C8 H6 O4 166.0256 121.0295 13.698 1.07E ± 06
165.0193
21. Gallic acid C7 H6 O5 170.0205 69.0346 13.789 2.04E ± 07
97.0295
125.0244
169.0143
22. Epigallocatechin gallate C22 H18 O11 458.0842 125.0244 13.790 3.00E ± 06
169.0143
165.0195
305.0667
23. Gallic acid C7 H6 O5 170.0206 69.0346 14.100 1.34E ± 07
97.0295
125.0244
169.0143
24. 2-Amino-1,3,4-octadecanetriol C18 H39 NO3 317.2910 256.2435 14.118 1.14E ± 07
300.2897
318.3003
25. 1,8-Diazabicyclo [5.4.0]undec-7-ene C9 H16 N2 152.1315 96.0807 14.367 7.41E ± 06
153.1386
26. Gallic acid C7 H6 O5 170.0206 69.0346 15.268 1.25E ± 07
97.0295
125.0244
169.0143
27. Meprednisone acetate C24 H30 O6 414.2042 119.0858 15.444 1.34E ± 06
28. Gallic acid C7 H6 O5 170.0210 69.0346 15.504 2.63E ± 07
97.0295
125.0244
169.0143
29. Gallic acid C7 H6 O5 170.0207 69.0346 15.657 1.92E ± 07
97.0295
125.0244
169.0143
30. Gentisic acid C7 H6 O4 154.0260 109.0295 15.734 1.33E ± 06
153.0193
31. Gallic acid C7 H6 O5 170.0210 69.0346 15.735 1.25E ± 07
97.0295
125.0244
169.0143
32. 2-Amino-1,3,4-octadecanetriol C18 H39 NO3 317.2926 85.1012 15.741 1.73E ± 08
256.2435
300.2897
318.3003
33. Gallic acid C7 H6 O5 170.0210 69.0346 15.879 1.47E ± 07
97.0295
125.0244
169.0143
34. 1,8-Diazabicyclo [5.4.0]undec-7-ene C9 H16 N2 152.1315 153.1386 16.048 7.35E ± 06
35. Epigallocatechin gallate C22 H18 O11 458.0847 125.0244 16.221 1.76E ± 06
169.0143
36. 2-Amino-1,3,4-octadecanetriol C18 H39 NO3 317.2927 85.1012 16.534 2.95E ± 07
256.2435
300.2897
318.3003
37. 2-Amino-1,3,4-octadecanetriol C18 H39 NO3 317.2935 85.1012 19.581 3.01E ± 07
256.2435
300.2897
318.3003
38. Gallic acid C7 H6 O5 170.0206 69.0346 19.889 1.36E ± 06
97.0295
125.0244
169.0143