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Table 3 Spectrometry peaks with the highest heritability (h2) with tentative identification of volatile compounds from PTR-ToF-MS analysis of 1075 model cheeses; their phenotypic (\(\upsigma_{\text{P}}\)), residual (\(\upsigma_{\text{E}}\)), herd (\(\upsigma_{\text{H}}\)) and additive genetic (\(\upsigma_{\text{A}}\)) SD

From: From cow to cheese: genetic parameters of the flavour fingerprint of cheese investigated by direct-injection mass spectrometry (PTR-ToF-MS)

Measured mass (m/z)

Theoretical mass (m/z)

Tentative identification

Sum formula

ln ppb av

CV (%)

SD

h2

\(\upsigma_{\text{P}}\)

\(\upsigma_{\text{E}}\)

\(\upsigma_{\text{H}}\)

\(\upsigma_{\text{A}}\)

49.011

49.0106

Methanethiol

CH5O+

6.82

9.8

0.994

0.800

0.507

0.302

0.125

57.033

57.0335

3-Methyl-1-butanol

C3H5O+

6.70

10.0

1.007

0.805

0.516

0.317

0.134

75.080

75.0810

Butan-1-ol, pentan-1-ol, heptan-1-ol

C4H11O+

7.70

14.7

0.990

0.763

0.554

0.302

0.136

81.070

81.0699

Alkyl fragment (terpenes)

C6H9 +

5.37

8.6

1.021

0.669

0.692

0.340

0.206

83.086

83.0855

Hexanal, nonanal

C6H11 +

6.13

11.3

0.998

0.825

0.453

0.333

0.140

95.017

95.0161

Methyldisulfanylmethane

C2H7O2S+

5.04

14.1

1.013

0.847

0.415

0.370

0.161

117.091

117.0910

Ethyl butanoate, ethyl-2-methylpropanoate

C6H13O2 +

9.14

6.6

0.986

0.780

0.526

0.295

0.125

118.095

118.0940

Ethyl butanoate, ethyl-2-methylpropanoate

C5[13]CH13O2 +

6.53

8.7

0.986

0.775

0.531

0.298

0.129

145.123

145.1220

Ethyl hexanoate, octanoic acid

C8H17O2 +

7.43

10.5

0.971

0.777

0.495

0.304

0.133

146.126

146.1260

Ethyl hexanoate, octanoic acid

C [13]7 CH17O2 +

5.30

11.5

0.972

0.774

0.498

0.310

0.138

  1. SD standard deviation
  2. aData expressed in natural log-transformed (ln) parts per billion by volume