1. Preparative HPLC data Figure S1. HPLC chromatogram ... - MDPI

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Figure S2. HPLC-UV/Vis chromatogram (200–600 nm) and HRMS data of 1 ... 1750. 2000. 2250 m/z. 200. 250. 300. 350. 400. 450. 500. 550. Wavelength [nm] ...
1.

Preparative HPLC data

Figure S1. HPLC chromatogram showing the preparative HPLC separation of labyrinthopeptin A1(1) and labyrinthopeptin A2 (2) (UV 254 nm and UV 350 nm)

2.

UHR-MS data

Intens. [mAU] x105

LABY3 3_P1-E-7_01_8015.d: UV Chromatogram, 200-600 nm

0.8

0.6

0.4

0.2

0.0 0.0

2.5

200 Intens. [mAU]

5.0

7.5

250

300

10.0

12.5

350

15.0

400

17.5

450

20.0

22.5

500

550

Time [min]

Wavelength [nm] UV, 9.99-10.06min #2988-3009

200 220

750 500 250

280

0 Intens. [%]

LABY3 3_P1-E-7_01_8015.d: +MS, 10.04-10.10min #1196-1203

2+ 1038.4007

100 75 50

3+ 692.6022

25

3+ 1384.2000

0 250

500

750

1000

1250

2+ 2075.7998

1557.3496 1661.2395 1500

Figure S2. HPLC-UV/Vis chromatogram (200–600 nm) and HRMS data of 1

1750

2000

2250

m/z

Intens. [mAU] x105 1.0

LABY3 5_P1-E-1_01_8009.d: UV Chromatogram, 200-600 nm

0.8 0.6 0.4 0.2 0.0 2.5

200 Intens. [mAU]

200

5.0

7.5

250

300

10.0

12.5

350

15.0

400

17.5

450

20.0

500

22.5

550

Time [min]

Wavelength [nm] UV, 10.01-10.13min #2991-3029

218

600 400 200

280

0 Intens. [%]

LABY3 5_P1-E-1_01_8009.d: +MS, 10.05-10.17min #1198-1212

2+ 962.8635

100 75 50 25

250

3+ 1283.4830

3+ 642.2441

279.0961

0 500

750

1000

1250

2+ 1924.7234

1444.0438 1500

1750

2000

2250

Figure S3. HPLC-UV/Vis chromatogram (200–600 nm) and HRMS data of 2

3.

HPLC data for the purity

The purity of the final samples was measured using a HPLC Agilent 1200 Series instrument (Agilent, Santa Clara, CA, USA), equipped with degasser, binary Pump SL (Agilent Technologies 1260 Infinity), autosampler and DAD/electron light scattering detector Corona Ultra RS (Dionex, Sannyvale, CA, USA). Acquity UPLC BEH C18 column (2.1 x 50 mm, 1.7 µm) from Waters (Eschborn, Germany) was used as a strationary phase while the mobile phase consisted of: solvent A- H2O + 0.1% formic acid (FA), solvent Bacetonitrile (ACN + 0.1% FA). A gradient was run from 5% B for 5 min, followed by a linear increase to 100% B over 25 min, and thereafter maintained under isocratic conditions at 100% for 5 min; flow rate 0.6 mL/min, injection volume 2 µL, UV detection at 220 nm.

Figure S4. HPLC-UV chromatogram (220 nm) of 1 showing the purity

m/z

Figure S5. Excerpt from the original purity report of 1 (peak 3); purity expressed as area %

Figure S6. HPLC-UV chromatogram (220 nm) of 2 showing the final purity

Figure S7. Excerpt from the original purity report of 2 (peak 2); purity expressed as area %