Table 1 Summary of the peaks obtained by the LC-MS of the SEC fractions

From: Pyroglutamyl leucine, a peptide in fermented foods, attenuates dysbiosis by increasing host antimicrobial peptide

Peak no.

SEC Fr.

RT

Observed m/z

Estimated molecular weight

SIM

1

14-20, 32-34 (C), 14-21, 32-33 (CP), 14-26, 31-34 (HF), 14-26, 30-35 (HP)

11.2

723.7, 761.8, 804.0, 851.2, 904.4, 964.6, 1033.4, 1112.9, 1205.4, 1315.0, 1446.4, 1607.0

14453

○

2

17-18 (C)

11.8

775.7, 816.6, 861.8, 912.5, 969.4, 1034.0, 1107.7, 1192.9, 1292.2

15493

○

3

17-18 (C), 15-19 (HF), 14-19 (HP)

11.7

796.2, 843.0, 895.6, 955.2, 1023.4, 1102.1, 1193.8, 1302.3, 1432.3, 1591.5

14312

○

4

22-27 (C), 21-25 (CP), 21-24 (HF), 21-24 (HP)

10.5

879.9, 932.6, 989.7, 1055.6, 1131.0, 1217.7, 1319.2

15825

○

5

14-16 (CP)

14.6

532.4, 576.4, 620.5

―

―

6

20, 23 (CP)

12.8

787.2, 847.5, 885.5, 917.8, 972.0

―

―

7

14-19 (HF), 14-20 (HP)

12.3

752.7, 792.2, 836.2, 885.3, 940.7, 1003.2, 1074.8, 1157.4, 1253.9, 1367.6, 1504.5, 1671.5

15033

○

8

30-32 (C), 29-31 (CP), 29-32 (HF), 29-31 (HP)

10.7

739.9, 778.5, 821.9, 870.2, 924.5, 986.1, 1056.5, 1137.7

14779

○

9

30-33 (C), 29-31 (CP), 29-31 (HF), 29-31 (HP)

11.4

721.8, 773.3, 832.6, 902.0, 983.9

10812

○

10

30-31 (C), 29-31 (CP), 28-31 (HF), 28-30 (HP)

11.1

814.5, 862.3, 916.1, 977.1, 1046.9

14644

○

11

31 (C)

11.3

782.4, 831.2, 886.5, 949.8, 1022.7

13289

○

12

33-35 (C), 34-35 (CP), 33-35 (HF), 33-35 (HP)

10.9

765.5, 829.1, 904.4, 994.7, 1105.2, 1243.1

9941

○

13

31 (C), 25-27 (CP), 26 (HF)

12.5

846.1, 890.2, 937.1, 989.0

17535

○

14

31-32 (C), 30-32 (CP), 30-32 (HF), 29-32 (HP)

12.2

807.5, 846.0, 888.1, 934.8, 986.7, 1044.6

17748

○

15

26-27 (C), 25-27 (CP), 25-27 (HF), 25-26 (HP)

9.2

973.7, 1459.8

2919

○

16

29-30 (C), 29-30 (CP), 28 (HF), 29-30 (HP)

7.8

696.9, 1045.1

2086

○

17

29-30 (C), 29-30 (CP), 29-30 (HF), 28-30 (HP)

8.7

749.3, 998.9

2991

○

18

28-30 (C), 28 (HF)

9.5

564.3, 868.1, 1166.8

―

―

19

30-33 (C), 29-33 (CP), 29-33 (HF), 28-33 (HP)

12.4

724.6, 760.8, 800.8, 845.3, 894.9, 950.8

15191

○

20

30-33 (C), 31-33 (CP), 31-33 (HF), 30-33 (HP)

8.3

621.3, 710.0, 828.1, 993.5

4962

○

21

31 (C), 29-31 (CP), 30-31 (HF)

7.5

555.1, 739.6

2218

○

22

31 (C), 31 (CP), 31 (HF)

7.2

537.0, 715.5, 1032.6

2234

○

23

31 (C)

8.5

536.9, 716.0

2139

N.D.

24

31-31 (C), 31-34 (CP), 30-34 (HF), 30-34 (HP)

13.3

754.9, 792.6, 834.3, 880.6, 932.4

15823

○

25

32-34 (C), 32-33 (CP), 32-33 (HF), 32-33 (HP)

12.0

726.0, 766.3, 811.3, 861.9

13777

○

26

32-33 (C), 32 (CP), 32 (HF), 31-32 (HP)

8.0

712.3, 830.8, 996.9

4978

○

27

33-34 (C), 33-34 (CP), 33 (HF), 33 (HP)

10.1

717.5, 789.2, 876.8, 986.3

7878

○

28

33-34 (C), 33-34 (CP), 33-34 (HF), 32-33 (HP)

6.1

771.4, 841.8, 925.7, 1028.7, 1156.9

9239

○

29

33-34 (C), 32-33 (CP), 33 (HP)

10.1

706.3, 734.5, 765.2, 798.4, 834.7, 874.3, 918.0

18330

○

30

33 (C), 33 (CP), 33 (HF), 33 (HP)

8.5

706.1, 759.9, 823.6

9872

○

31

34 (C)

13.4

895.3, 995.2, 1119.6, 1279.3

8931

○

32

34-35 (C), 35 (HF)

8.7

577.8, 720.6, 957.0, 1063.1, 1196.1

―

―

33

34-35 (C), 34-35 (CP), 33-35 (HF), 34-35 (HP)

7.4

566.9, 708.4, 944.0

2830

○

34

34 (C)

9.2

636.0, 684.2, 739.0, 769.7, 839.4, 923.4

―

―

35

34-35 (C), 34-35 (CP)

9.5

712.1, 745.8, 783.2, 824.3, 870.0

15653

N.D.

36

34-35 (C), 34-35 (CP), 34-35 (HF), 34 (HP)

12.2

701.3, 738.2, 779.1, 824.8

14013

○

37

35 (C)

9.8

736.1, 809.6, 899.4, 1011.6, 1156.0

8087

N.D.

38

25-26 (CP), 24-26 (HF), 25-27 (HP)

8.6

1019.1, 1273.4

5094

○

39

27 (CP)

8.9

674.9, 911.8

2590

○

40

28 (CP)

8.3

654.3, 980.9

1960

○

41

30-31 (CP), 30 (HF)

8.4

699.3, 932.3

2791

○

42

30 (CP)

10.1

644.3, 664.3, 685.7, 708.6, 732.9, 759.1

21240

N.D.

43

31 (CP), 31 (HF), 31 (HP)

6.8

695.6, 834.5

4168

○

44

31 (CP), 30 (HP)

10.4

942.1, 1046.7, 1177.4, 1345.5, 1569.1

9414

N.D.

45

32 (CP), 31-32 (HP)

9.0

681.8, 749.7, 833.0, 936.9, 1070.4, 1248.7

7491

○

46

33 (CP)

9.5

672.6, 691.9, 712.2, 733.8, 756.7

24138

N.D.

47

32 (CP)

10.3

828.5, 887.5, 935.2, 1168.9, 1335.9, 1580.0

―

―

48

33 (CP)

10.9

726.0, 760.7, 798.7, 840.6

15934

N.D.

49

34 (CP)

7.6

607.6, 708.8, 850.5, 1062.9

4244

○

50

34 (CP)

8.8

664.6, 691.4, 720.1, 751.4, 785.5, 822.8, 864.0

17232

N.D.

51

34 (CP)

7.7

626.4, 730.7, 876.8, 1095.4

4377

N.D.

52

34 (CP)

11.1

761.8, 821.4, 851.3, 904.4, 964.6, 1058.6, 1164.3, 1293.7

―

―

53

35 (CP), 35 (HF)

7.9

617.0, 649.7, 685.7, 725.8, 771.2, 822.4, 881.2

12314

N.D.

54

34-35 (CP), 35 (HF), 34-35 (HP)

13.5

841.9, 912.1, 994.9, 1094.2, 1215.7

10930

○

55

35 (CP), 35 (HF), 35 (HP)

12.9

889.2, 957.6, 1037.3, 1131.7, 1244.6, 1382.7

12433

○

56

28 (HF), 28 (HP)

9.2

520.3

520

○

57

29 (HF)

7.5

672.9, 779.5

4906

○

58

29-30 (HF)

7.8

697.0

697

○

59

29 (HF)

7.0

819.7, 983.8

4903

○

60

35 (HF)

8.1

524.9, 655.9, 1454.1, 1595.4, 1963.1

―

―

61

35 (HF), 35 (HP)

12.3

703.2, 739.4, 781.3, 827.1, 878.9, 937.4, 1003.3, 1157.3, 1671.6

―

―

62

29 (HP)

8.8

504.3, 1276.1

―

―

63

28 (HP)

14.5

532.4, 576.3, 620.4, 664.5, 708.4, 1425.5, 1613.9, 1828.1

―

―

64

29 (HP)

8.8

504.3, 648.9

2255

○

65

32 (HP)

10.6

765.0, 834.5, 917.9, 1019.7, 1147.1, 1310.8

9167

N.D.

66

33-34 (HP)

8.7

761.8, 888.5

5329

N.D.

67

34 (HP)

9.8

904.4, 1033.7, 1205.6

7225

N.D.

68

35 (HP)

6.4

549.7, 584.0, 603.0, 667.3, 718.8, 778.7, 849.2

―

―

69

35 (HP)

8.1

599.0, 718.4, 897.9

3588

○

  1. The aliquots of the size exclusion chromatography fractions (SEC Fr.) were subjected to LC-MS
  2. RT = retention time of LC-MS
  3. The molecular weights were calculated using the observed multivalent ions
  4. “―“ represents Molecular weight could not be calculated
  5. “○”represents Peak was observed by selected ion monitoring (SIM) for the top 2 or 3 divalent ions.
  6. “N.D.“ represents Peak could not be detected by SIM analysis
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