Table 1 Chemical shifts driving separation of 1H-NMR metabolomic profiles among genotypes determined by partial least square discriminant analysis.

From: Metabolomic profiles differ among unique genotypes of a threatened Caribbean coral

Spectra Bin

Metabolite

Metabolite Class

Peak pattern

U25

U41

U44

3.23

Trimethylamine N-oxide

Organic compound

s

2.95

Unknown

Unknown

s

2.99

Unknown

Aliphatic

s

2.70

Unknown

Carbohydrate

m

3.27

Unknown

Carbohydrate

m

3.54

Unknown

Carbohydrate

t

3.47

Unknown

Carbohydrate

s

3.39

Unknown

Carbohydrate

d

3.19

Choline

Aliphatic

s

3.11

Malonate

Aliphatic

s

3.15

N-Nitrosodimethylamine

Aliphatic

s

2.75

Unknown

Aliphatic

s

2.59

Methylamine

Aliphatic

s

2.03

Homoserine

Aliphatic

m

2.83

Unknown

Aliphatic

s

  1. For peak pattern, s = singlet, d = doublet, t = triplet, m = multiplet. Circle size illustrates the relative concentration of each metabolite compared to other genotypes (smallest circles = low, largest circles = high).