Table 3 VIP scores showing the correlation of the metabolites vs. agronomic parameters (PLS analysis). VIP scores > 1.5 were considered. aIsomers, same mas spectrum. VIP scores > 1 are shown in bold. Unknown metabolites (RI/SI < 500) are not included. Statistical analysis were conducted using XLSTAT software.

From: Metabolomic and phenotypic implications of the application of fertilization products containing microcontaminants in lettuce (Lactuca sativa)

Family

Match result name

Fresh weight

Leaf height

Number of leaves

Lipids

Carbohydrates

Aminoacid

Valine

1.6

1.2

1.3

0.1

0.5

Aminoacid

L-Proline

1.5

1.3

1.3

0.3

0.6

Aminoacid

Aspartic acid

1.6

1.2

1.4

0.2

0.5

Aminoacid

L-Phenylalanine

1.7

1.4

1.6

0.2

0.9

Aminoacid

Arginine

1.8

2.0

2.0

0.4

1.1

Organic acids

Phosphate

0.9

0.6

0.4

1.3

2.7

Organic acids

Retinoic acid

0.1

0.0

0.1

0.1

1.5

Organic acids

Glyceric acid

1.8

1.9

1.9

0.2

0.9

Organic acids

2-Butenedioic acid (fumaric acid)

1.4

1.5

1.4

1.2

0.1

Organic acids

Octanoic acid, cyclobutyl ester

1.8

2.1

1.9

0.3

0.6

Organic acids

4-Aminobutanoic acid

1.6

1.2

1.3

0.5

0.5

Organic acids

Pentanedioic acid (glutaric acid)

1.6

1.5

1.5

1.7

3.3

Organic acids

Tartaric acid

1.1

1.1

1.2

2.0

1.4

Organic acids

Succinic acid, ethyl 4-methylhept-3-yl ester

1.4

1.2

1.3

1.1

2.0

Organic acids

Quinnic acid

0.6

0.7

0.6

0.5

2.5

Organic acids

Ribonic acid

1.2

1.1

1.0

1.5

1.3

Organic acids

Methylglutaconic acid

1.5

1.5

1.3

0.7

1.3

Organic acids

Dehydroabietic acid

0.4

0.1

0.1

2.0

0.2

Organic acids

Hexanedioic acid, a-keto

1.4

1.2

1.4

2.5

0.0

Organic acids

Glucuronic acid, 6-lactone

1.6

1.3

1.6

1.7

0.2

Organic acids

Galactaric acid

0.4

0.4

0.5

0.6

1.5

Organic acids

Citric acid

1.2

1.1

1.0

0.9

0.4

Organic acids

Ketoglutaric acid

1.2

1.0

1.1

2.4

0.9

Organic acids

Gluconic acid

1.5

1.3

1.5

1.9

1.9

Sugar alc. and others

Tetrahydrolinalool, isomer 1

1.8

2.2

2.0

0.1

0.5

Sugar alc. and others

Tetrahydrolinalool, isomer 2

1.8

2.2

2.0

0.1

0.5

Sugar alc. and others

Glycine

1.8

1.9

1.9

0.2

0.8

Sugar alc. and others

Uridine

1.0

0.8

0.8

1.1

1.5

Sugar alc. and others

Propanetriol, 2-methyl-

1.3

1.3

1.2

1.5

0.0

Sugar alc. and others

Tri(n-butyl)difluorophosphorane

0.7

0.8

0.6

1.4

2.3

Sugar alc. and others

Inose, 2-desoxy-

0.2

0.3

0.1

2.0

0.8

Sugar alc. and others

Myo-inositol, isomer 1

1.3

1.1

1.4

1.6

2.0

Sugar alc. and others

Myo-inositol, isomer 2

0.2

0.1

0.2

0.6

1.0

Sugar alc. and others

Adenosine

1.0

1.0

1.3

1.1

0.3

Sugars

Arabinose

1.7

1.4

1.7

0.3

0.3

Sugars

Methyl α-D-ribofuranoside

1.7

1.5

1.7

1.7

0.3

Sugars

Tagatofuranose

0.5

0.5

0.5

1.7

0.8

Sugars

Galactose ethoxyme

1.0

0.8

0.8

2.5

0.6

Sugars

Galactofuranose, 2,6-di-O-methyl

0.6

0.5

0.3

2.4

1.9

Sugars

Fructose

1.6

1.5

1.4

1.4

1.7

Sugars

Tagatose

1.8

1.7

1.6

1.3

1.6

Sugars

Sorbose

1.8

1.6

1.7

1.5

1.6

Sugars

Galactose oxime

0.8

0.9

1.2

0.0

0.5

Sugars

1,2-O-Isopropylidene-α-D-glucofuranose

1.5

1.4

1.3

1.1

1.6

Sugars

Mannose

1.7

1.6

1.5

0.9

1.6

Sugars

Xylopyranose

1.7

1.6

1.5

0.6

1.6

Sugars

Allose,

1.8

2.1

2.0

0.2

0.4

Sugars

Glucopyranose

0.3

0.2

0.3

0.6

0.6

Sugars

Rhamonose

1.3

1.2

1.0

1.8

1.7

Sugars

Sorbofuranose

1.0

0.8

1.0

0.1

1.1

Sugars

Psicofuranose

0.9

0.7

1.0

0.2

1.2

Sugars

L-Rhamnose

0.5

0.7

0.8

0.8

1.5

Sugars

Maltose, isomer 1

0.1

0.0

0.1

1.0

0.4

Sugars

Sucrose

0.2

0.1

0.2

0.9

2.0

Sugars

Manobiose

0.1

0.2

0.5

0.8

1.5

Sugars

Ribofuranose

1.3

1.2

1.4

0.8

1.7