Table S4. Comparative analysis of volatile compounds detected in samples by GCO and OAV

Classification Code Compound Analysis Concentration range1) Detection in samples2)
Alcohols AL1 2-Phenylethanol GCO 81-243 M4>M1=M5=M6>M2=M3
OAV 34-116 M1>M2>M3>M5>M6>M4
AL2 Methionol GCO 18-135 M6>M4>M2>M1>M3>M5
OAV 20-60 M1>M6>M4>M5>M3>M2
AL3 Isoamyl alcohol GCO 27-81 M4=M6>M1=M2=M5>M3
OAV 345-730 M1>M2>M5>M3>M4>M6
AL4 2,3-Butanediol OAV 24-685 M1>M5>M4>M3>M2>M6
Esters ES1 Ethyl decanoate GCO 6-81 M2>M4>M3>M1=M5=M6
OAV 248-838 M3>M2>M4>M6>M1>M5
ES2 Diethyl succinate GCO 27-162 M4>M1=M3=M6>M5>M2
ES3 Ethyl lactate GCO 3-54 M5>M3>M6>M1>M2>M4
ES4 Ethyl octanoate OAV 31-92 M2>M1>M3>M4>M5>M6
ES5 Ethyl isovalerate OAV 0-826 M5>M6
ES6 Ethyl undecanoate OAV 0-875 M4
ES7 Ethyl isobutyrate OAV 0-20203 M1
ES8 Ethyl butyrate OAV 0-899 M2
ES9 Ethyl hexanoate OAV 0-240 M1>M5
Organic acids AC1 Acetic acid GCO 3-135 M5>M6>M4>M1=M2>M3
AC2 Lactic acid GCO 0-162 M4=M5>M6>M3
AC3 Butyric acid OAV 0-637 M2
Carbonyls CO1 Diacetyl GCO 0-81 M4>M1
OAV 0-654 M4>M1
CO2 Acetoin OAV 0-3221 M1>M4>M5
Others OT1 Methional GCO 18-405 M1>M2>M3>M4>M5>M6
OT2 γ-Nonalactone GCO 0-81 M3=M1
OT3 4-Vinylguaiacol OAV 0-598 M2
Unknown UK1 Unknown4 GCO 0-54 M1>M4>M5>M2=M3=M6
UK2 Unknown10 GCO 0-81 M3>M1>M2=M4=M5=M6
Concentration ranges are expressed in their original units of measurement for each analysis method.
Detection in samples indicates the relative abundance of compounds across samples, arranged in descending order of concentration (“>” higher, “=” equivalent).