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 |