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. 2020 Aug 21;10:14076. doi: 10.1038/s41598-020-70945-8

Table 1.

The parent and the fragments’ masses of the identified compounds compared with that of the standards from the molecular networking database.

Compound name Precursor mass (m/z) Database fragments Identified fragments
Cyclo-(L-pro-L-val) 197.064 179.12, 169.14, 152.11, 141.14, 124.12 and 70.07
Ile-Pro 211.06 183.128, 138.125, 114.102, 98.065, 86.105 and 70.064
Cyclo-[L-(4-hydroxy-Pro)-L-leu] 227.058 199.15, 181.14, 153.15, 136.12 and 86.08
Cyclo-(Leu-Leu) 227.115
Cyclo (Pro-Phe) 245.042 217.69, 120.03 and 70.79 154.100, 120.10 and 70.064
Palmitamide 256.21
Pro-Tyr 261.038 243.06, 233.09, 215.04, 135.92, 119.94 and 85.94 187.183, 120.085 and 86.056
9-Octadecenamide 282.205 265.27, 247.30, 149.10 and 135.13
C17-Sphinganine 288.218
Hexanedioic acid, bis(2-ethylhexyl) ester 371.135
Surfactin C14 1,022.48 909.46, 891.41, 86e3.38, 685.37, 667.44, 582.31, 554.33 and 441.23 -
Surfactin C15 1,036.52 1,018.47, 923.58, 905.42, 877.39, 808.44, 792.44, 695.38, 685.37, 667.35, 596.41, 554.27 and 441.24 923.574, 685.500, 596.445, 483.382, 441.298, 326.238, 272.167 and 86.088