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Table 2 Mycolic acid species identified in R. opacus PD630

From: Lipid metabolism of phenol-tolerant Rhodococcus opacus strains for lignin bioconversion

Measured m/z (Da)
[M−H]
Theoretical mass (Da) Deviation (mDa) Composition Rel. intensity (%) Structure (meromycolate chain/α-branch)
Major structures Other isomers
677.6450 677.6453 − 0.29 C44 H85 O4 0.6   
679.6606 679.6610 − 0.39 C44 H87 O4 0.82   
687.6656 687.6661 − 0.43 C46 H87 O3 1.34 32:2/14:0; 34:2/12:0 30:2/16:0
691.6606 691.6610 − 0.4 C45 H87 O4 0.7   
693.6762 693.6766 − 0.41 C45 H89 O4 1.05   
701.6813 701.6817 − 0.41 C47 H89 O3 2.22 31:2/16:0; 33:2/14:0 32:2/15:0
707.6917 707.6923 − 0.62 C46 H91 O4 0.72   
713.6814 713.6817 − 0.31 C48 H89 O3 1.98 33:2/15:1; 34:3/14:0  
715.6970 715.6974 − 0.38 C48 H91 O3 9.59 32:2/16:0; 34:2/14:0 33:0/15:0; 35:0/13:0
717.7124 717.7130 − 0.62 C48 H93 O3 0.96   
719.6919 719.6923 − 0.36 C47 H91 O4 0.49   
721.7074 721.7079 − 0.58 C47 H93 O4 1.02   
727.6969 727.6974 − 0.44 C49 H91 O3 3.21 36:3/13:0; 35:3/14:0; 33:2/16:1; 34:3/15:0 34:2/15:1; 33:3/16:0; 35:2/14:1; 32:2/17:1
729.7127 729.7130 − 0.33 C49 H93 O3 10.71 36:2/13:0; 35:2/14:0; 33:2/16:0 32:2/17:0
735.7232 735.7236 − 0.42 C48 H95 O4 0.51   
739.6970 739.6974 − 0.35 C50 H91 O3 0.44 34:3/16:1 36:3/14:1
741.7127 741.7130 − 0.35 C50 H93 O3 15.04 36:3/14:0 34:2/16:1; 34:3/16:0
743.7283 743.7287 − 0.42 C50 H95 O3 29.84 34:2/16:0 36:2/14:0; 35:2/15:0
749.7386 749.7392 − 0.62 C49 H97 O4 0.69   
753.7126 753.7130 − 0.42 C51 H93 O3 0.86   
755.7282 755.7287 − 0.45 C51 H95 O3 19.96 36:3/15:0; 37:3/14:0 35:3/16:0; 35:2/16:1; 34:2/17:1; 38:3/13:0
757.7438 757.7443 − 0.5 C51 H97 O3 24.26 36:2/15:0; 37:2/14:0 34:2/17:0; 38:2/13:0
763.7543 763.7549 − 0.56 C50 H99 O4 0.54   
767.7283 767.7287 − 0.41 C52 H95 O3 4.3 36:3/16:1 38:3/14:1
769.7438 769.7443 − 0.48 C52 H97 O3 60.84 36:3/16:0; 38:3/14:0 37:3/15:0; 36:2/16:1
771.7228 771.7236 − 0.76 C51 H95 O4 0.52   
771.7593 771.7600 − 0.7 C52 H99 O3 44.81 36:2/16:0 38:2/14:0; 37:2/15:0
773.7388 773.7392 − 0.39 C51 H97 O4 0.53   
777.7700 777.7705 − 0.55 C51 H101 O4 0.48   
781.7439 781.7443 − 0.44 C53 H97 O3 4.32 37:3/16:1 38:3/15:1; 36:3/17:1
783.7231 783.7236 − 0.44 C52 H95 O4 0.6   
783.7594 783.7600 − 0.53 C53 H99 O3 52.26 37:3/16:0; 38:3/15:0 39:3/14:0; 36:3/17:0
785.7389 785.7392 − 0.37 C52 H97 O4 1.28 h36:3/16:1  
785.7747 785.7756 − 0.88 C53 H101 O3 18.21 37:2/16:0 37:2/17:0; 38:2/15:0
787.7544 787.7549 − 0.47 C52 H99 O4 0.64 h36:3/16:0  
795.7595 795.7600 − 0.43 C54 H99 O3 12.65 38:3/16:1  
797.7392 797.7392 − 0.02 C53 H97 O4 0.78   
797.7749 797.7756 − 0.7 C54 H101 O3 100 38:3/16:0 39:3/15:0; 40:3/14:0
799.7542 799.7549 − 0.67 C53 H99 O4 1.51 h37:3/16:0 h36:3/17:0; h38:3/15:0
801.7697 801.7705 − 0.88 C53 H101 O4 0.5   
809.7751 809.7756 − 0.54 C55 H101 O3 5.99 38:3/17:1; 39:3/16:1  
811.7543 811.7549 − 0.6 C54 H99 O4 1.77   
811.7906 811.7913 − 0.63 C55 H103 O3 37.52 39:3/16:0 38:3/17:0; 40:3/15:0
813.7698 813.7705 − 0.69 C54 H101 O4 2.09 h38:3/16:0  
823.7907 823.7913 − 0.6 C56 H103 O3 5.21 40:4/16:0; 40:3/16:1 39:3/17:1; 38:3/18:1
825.7699 825.7705 − 0.63 C55 H101 O4 1.03   
825.8063 825.8069 − 0.6 C56 H105 O3 27.68 40:3/16:0 39:3/17:0
827.7857 827.7862 − 0.49 C55 H103 O4 0.96   
837.8064 837.8069 − 0.54 C57 H105 O3 1.42 40:3/17:1; 41:3/16:1  
839.7855 839.7862 − 0.71 C56 H103 O4 1   
839.8219 839.8226 − 0.7 C57 H107 O3 3.51 40:3/17:0; 41:2/16:1  
841.8010 841.8018 − 0.85 C56 H105 O4 0.51   
853.8374 853.8382 − 0.81 C58 H109 O3 0.6 42:3/16:0; 41:3/17:0 40:3/18:0