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. 2024 Nov 1;72(45):24944–24952. doi: 10.1021/acs.jafc.4c03986

Table 2. Twenty-Seven Most Highly Expressed Compounds Identified in Five Annual Ryegrass Cultivarsa.

compound RT genotype (peak area × 104)
RI molecular formula MW
    safeguard-I safeguard-II Tetila Wimmera wild type      
neophytadiene 29.446 13,397 13,534 6487 5768 8374 1841 C20H38 278.30
palmitic acid 31.981 10,275 1645 n.d. n.d. 753 1967 C16H32O2 256.24
hexanedioic acid, dioctyl ester 39.871 6427 n.d. 5459 5436 3350 2401 C22H42O4 370.31
tricosyl pentafluoropropionate 40.432 10,039 7873 7801 5930 1680 2483 C26H47F5O2 486.35
tricosyl trifluoroacetate 40.461 3545 n.d. 2614 2480 n.d. 2487 C25H47F3O2 436.35
2-chloropropionic acid, octadecyl ester 40.467 n.d. 4229 n.d. n.d. n.d. 2488 C21H41ClO2 360.28
carbonic acid, eicosyl vinyl ester 40.57 4616 5658 9546 9264 9266 2503 C23H44O3 368.32
heptacos-1-ene 41.771 11,997 1278 10,211 8574 4426 2682 C27H54 378.42
n-tetracosanol-1 41.834 7395 n.d. 6186 6073 10,645 2691 C24H50O 354.39
tetracosanoic acid, methyl ester 42.143 3051 796 318 826 295.84 2734 C25H50O2 382.38
tetracosyl acetate 42.752 n.d. n.d. n.d. n.d. 712.89 2814 C26H52O2 396.40
squalene 42.973 2880 4395 3817 n.d. 6880 2840 C30H50 410.39
hexacosanal 43.001 n.d. n.d. n.d. 4349 n.d. 2844 C26H52O 380.40
heptacosyl heptafluorobutyrate 43.619 4614 3424 13,968 11,790 8235 2915 C31H55F7O2 592.40
octacosanal 45.41 4730 n.d. n.d. n.d. 915 3084 C28H56O 408.43
myristic acid, 9-hexadecenyl ester, (Z)- 45 n.d. 5967 n.d. n.d. 2085 3085 C30H58O2 450.44
2,3-bis(acetyloxy)propyl (9E,12E,15E)-9,12,15-octadecatrienoate 45 7109 n.d. n.d. n.d. n.d. 3097 C25H40O6 436.28
9,12,15-octadecatrienoic acid, 2,3-dihydroxypropyl ester, (Z,Z,Z)- 45.571 n.d. 7063 n.d. n.d. n.d. 3099 C21H36O4 352.26
fumaric acid, 8-chlorooctyl tridecyl ester 45.719 1517 n.d. n.d. n.d. n.d. 3210 C25H45ClO4 444.30
brassicasterol acetate 45.902 1649 1044 588 n.d. n.d. 3223 C30H48O2 440.36
octacosanoic acid, methyl ester 46.085 n.d. n.d. 1362 3091 680 3236 C29H58O2 438.44
Stigmasterol 46.32 2592 1435 n.d. 1384 2013 3254 C29H48O 412.37
cholest-4-en-3-one, 7-hydroxy-, (7β)- 48.357 7748 6324 5302 2030 2650 3485 C27H44O2 400.33
stigmastane-3,6-dione, (5α)- 48.863 n.d. n.d. n.d. n.d. 3451 3613 C29H48O2 428.36
ergosterol peroxide 48.912 12,939 n.d. n.d. n.d. n.d. 3616 C28H44O3 428.33
ergosterol peroxide Ac (acetyl) derivative 48.941 n.d. 13,654 n.d. 2085 n.d. 3617 C30H46O4 470.34
methyl nomilinate (isomer 2) 49.198 1450 2493 n.d. n.d. n.d. 3630 C29H38O10 546.25
a

RI-retention index; RT-retention time; n.d.-not detected; MW-molecular weight. Values represent the mean of three replicates.