SupplementaryTable 1 Compounds identified in methanolic ‘Empire’ apple cortex extracts as trimethylsilyl (oxime) derivatives using GC-MS

RI / Compound / Abbreviation / Target ion / RI / Compound / Abbreviation / Target ion
1054 / pyruvic acid / pyr / 174 / 1640 / phenylalanine / phe / 218
1108 / alanine / ala / 116 / 1666 / arabinose/xylose / arab/xyl / 217
1222 / valine / val / 144 / 1696 / ribose / rib / 307
1245 / norvaline / norval / 144 / 1737 / rhamnose / rhamn / 117
1276 / leucine / leu / 158 / 1742 / arabinitol/xylitol / arabOH/xylOH / 307
1280 / phosphoric acid / PO4 / 299 / 1745 / adonitol / ribOH / 217
1297 / isoleucine / ile / 158 / 1777 / glycerol 3-phosphate / G3-P / 299
1302 / proline / pro / 142 / 1822 / shikimic acid / shik / 204
1307 / maleic acid / maleic / 245 / 1840 / citric acid / cit / 273
1308 / glycine / gly / 174 / 1890 / quinic acid / qin / 345
1317 / succinic acid / succ / 147 / 1901 / fructose / fruct / 364
1336 / glyceric acid / glyceric / 147 / 1931 / glucose / glu / 291
1349 / fumaric acid / fum / 245 / 1969 / sorbitol / sorb / 319
1365 / serine / ser / 204 / 2064 / scyllo-inositol / S-inositol / 318
1394 / threonine / thr / 291 / 2079 / mucic acid / mucic / 333
1433 / β-alanine / β-ala / 248 / 2132 / myo-inositol / inositol / 305
1456 / homoserine / hser / 218 / 2247 / tryptophan / trp / 202
1463 / erythrose / eryth / 205 / 2352 / fructose 6-phosphate / F6P / 315
1482 / citramalic acid / citmal / 247 / 2366 / glucose 6-phosphate / G6P / 387
1495 / malic acid / mal / 235 / 2703 / sucrose / suc / 451
1517 / erythritol / eryOH / 217 / 2886 / (—)-epicatechin / epicat / 368
1525 / aspartic acid / asp / 232 / 2906 / catechin / cat / 368
1536 / γ-aminobutyric acid / GABA / 304 / 3147 / 5’-caffeoylquinate / chlor / 345
1572 / threonic acid / threon / 292 / 3152 / α-tocopherol / vit E / 237
1580 / 2-oxoglutaric acid / α-kg / 198 / 3396 / β-sitosterol / sito / 129
1601 / asparagine / asn / 116 / 3488 / raffinose / raff / 361
1625 / glutamic acid / glu / 246 / 3510 / phloretin 2-glucoside / phlor / 342

SupplementaryTable 2Volatile compounds identified in ‘Empire’ apple cortex extract using GC-MS or GC-FID

RI / Compound / Abbreviation / Target ion / RI / Compound / Abbreviation / Target ion
450 / acetaldehyde / OHAc / 44 / 815 / butyl acetate / ButAc / 43
472 / methanol / MeOH / 31 / 848 / ethyl 2-methyl butyrate / EtMebut / 57
502 / ethanol / EtOH / 45 / 853 / (E)-2-hexenal / OH2Hex / 98
507 / acetone / Acetone / 58 / 867 / 1-hexanol / HexOH / 56
526 / methyl acetate / MeAc / 74 / 877 / 2-methyl 1-butyl acetate / MebutAc / 70
574 / 1-propanol / PropOH / 31 / 895 / propyl butyrate / PropBut / 71
616 / ethyl acetate / EtAc / 88 / 906 / butyl propanoate / ButProp / 57
631 / methyl propionate / MeProp / 57 / 914 / pentyl acetate / PentAc / 70
632 / 2-methyl-1-propanol / MepropOH / 43 / 952 / 2-methylpropyl butyrate / MePropBut / 71
662 / 2-methylbutanol / MebutOH / 57 / 956 / (E)-2-heptenal / OH2Hept / 83
672 / 1-butanol / ButOH / 56 / 991 / butyl butyrate / ButBut / 71
697 / pentanal / OHpent / 44 / 1010 / hexyl acetate / HexAc / 43
712 / propyl acetate / PropAc / 61 / 1038 / butyl 2-methylbutyrate / ButMebut / 57
720 / methyl butyrate / MeBut / 74 / 1055 / 2-methyl butylbutyrate / MebutBut / 57
768 / 1-pentanol / PentOH / 42 / 1187 / hexyl butyrate / HexBut / 71
771 / 2-methylpropyl acetate / MepropAc / 73 / 1200 / estragole / estragole / 148
775 / methyl 2-methyl butyrate / MeMebut / 88 / 1232 / hexyl 2-methyl butyrate / HexMebut / 103
801 / hexanal / OHhex / 72 / NA / ethylene / IEC / NA