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Table 3 Summary of the detected surfactin lipopeptides extracted from cultures of B. amyloliquefaciens ST34, as detected using high resolution mass spectrometry (<10 ppm)

From: Characterisation and antimicrobial activity of biosurfactant extracts produced by Bacillus amyloliquefaciens and Pseudomonas aeruginosa isolated from a wastewater treatment plant

Surfactin group (Abbr)

UPLC Rt (min)a

Characterised and proposed* peptide sequences in surfactin group

Mono-isotopic Exp/Theor M r

Protonated specie Exp/Theor m/z

Sodiated specie Exp/Theor m/z

Surfactin 1 (Srf1)

10.6; 11.2

Cyclo[(C 13 H 24 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Val]

Cyclo[(C 13 H 24 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Val]

993.6376

993.6403

994.6472

994.6481

1016.6265

1016.6190

Surfactin 2 (Srf2)

11.0; 11.2; 11.9

Cyclo[(C 14 H 26 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Val]

Cyclo[(C 14 H 26 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Val]

1007.6521

1007.6552

1008.6604

1008.6596

1030.6350

1030.6328

Cyclo-[(C 13 H 24 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

Cyclo[(C 13 H 24 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

*Cyclo-[(C 13 H 24 O 2)-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

*Cyclo-[(C 13 H 24 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

Surfactin 3 (Srf3)

11.6; 11.7; 12.3

Cyclo[(C 15 H 28 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Val]

Cyclo[(C 15 H 28 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Val]

1021.6693

1021.6715

1022.6780

1022.6752

1044.6586

1044.6494

Cyclo[(C 14 H 26 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

Cyclo[(C 14 H 26 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

*Cyclo-[(C 14 H 26 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

*Cyclo-[(C 14 H 26 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

Surfactin 4 (Srf4)

12.1; 12.2

Cyclo[(C 15 H 28 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

Cyclo[(C 15 H 28 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

*Cyclo[(C 15 H 28 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

Cyclo[(C 15 H 28 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

1035.6819

1035.6881

1036.6902

1036.6909

1058.6718

1058.6662

Surfactin 5 (Srf5)

12.6; 12.7

Cyclo[(C 16 H 30 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

*Cyclo[(C 16 H 30 O 2 )-L-Glu-L-Leu-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

*Cyclo[(C 16 H 30 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Leu]

*Cyclo[(C 16 H 30 O 2 )-L-Glu-L-Ile-D-Leu-L-Val-L-Asp-L-Leu-L-Ile]

1049.6992

1049.7032

1050.7120

1050.7066

1072.6926

1072.6886

  1. Their proposed chemical structures, theoretical (Theor) and experimental (Exp) M r and monoisotopic m/z values, as well as observed UPLC retention times for representative examples are provided
  2. a UPLC retention time of main peaks corresponding to the group’s m/z value