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Table 1 Summary of the surfactins extracted from B. amyloliquefaciens ST34, as detected with high resolution mass spectrometry (<10 ppm)

From: Variants of lipopeptides and glycolipids produced by Bacillus amyloliquefaciens and Pseudomonas aeruginosa cultured in different carbon substrates

Surfactin group (Abbr)

Rt (min)a

Characterised and proposed* peptide sequences in surfactin group

Mono-isotopic

Exp/Theor M r

Protonated species

Exp/Theor

m/z

Sodiated species

Exp/Theorm/z

Surfactin 1 (Srf1)

10.7; 10.8; 11.5; 11.6

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

993.6376

994.6473

1016.6365

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

993.6403

994.6481

1016.6259

Surfactin 2 (Srf2)

11.3; 11.4; 12.1; 12.2

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]

1007.6565

1008.6608

1030.6415

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]

1007.6552

1008.6596

1030.6416

Surfactin 3 (Srf3)

11.8; 11.9; 12.0

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

1022.6773

1044.6582

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]

1021.6715

1022.6752

1044.6572

Surfactin 4 (Srf4)

12.4

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

1036.6896

1058.6737

1035.6881

1036.6909

1058.6729

  1. The 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. aUPLC retention time of main peaks corresponding to the groups m/z values