Table 1.
List of TAG groups surveyed.
| TAG group | Formula | Calculated m/z (M + NH4)+ | Main species (isomers) | ||
|---|---|---|---|---|---|
| Species 1 | Species 2 | Species 3 | |||
| TAG 26:0 | C29H54O6 | 516.4264 | 4:0/10:0/12:0 | 4:0/8:0/14:0 | 8:0/8:8/10:0 |
| TAG 28:1 | C31H56O6 | 542.4421 | 4:0/10:1/14:0 | 4:0/10:0/14:1 | 4:0/8:0/16:1 |
| TAG 28:0 | C31H58O6 | 544.4577 | 4:0/10:0/14:0 | 4:0/8:0/16:0 | 6:0/10:0/12:0 |
| TAG 30:1 | C33H60O6 | 570.4734 | 4:0/10:1/16:0 | 4:0/8:0/18:1 | 6:0/10:0/14:1 |
| TAG 30:0 | C33H62O6 | 572.4890 | 6:0/8:0/16:0 | 6:0/10:0/14:0 | 10:0/10:0/10:0 |
| TAG 32:1 | C35H64O6 | 598.5047 | 4:0/12:0/16:1 | 4:0/14:0/14:1 | 4:0/10:0/18:1 |
| TAG 32:0 | C35H66O6 | 600.5203 | 4:0/10:0/18:0 | 6:0/8:0/18:0 | 4:0/12:0/16:0 |
| TAG 34:1 | C37H68O6 | 626.536 | 4:0/14:1/16:0 | 8:0/10:0/16:1 | 10:0/10:0/14:1 |
| TAG 34:0 | C37H70O6 | 628.5516 | 4:0/14:0/16:0 | 10:0/12:0/12:0 | 10:0/10:0/14:0 |
| TAG 36:1 | C39H72O6 | 654.5673 | 4:0/16:0/16:1 | 4:0/14:0/18:1 | 8:0/10:0/18:1 |
| TAG 36:0 | C39H74O6 | 656.5829 | 4:0/16:0/16:0 | 6:0/14:0/16:0 | 10:0/12:0/14:0 |
| TAG 38:1 | C41H76O6 | 682.5986 | 4:0/16:0/18:1 | 8:0/12:0/18:1 | |
| TAG 38:0 | C41H78O6 | 684.6142 | 6:0/16:0/16:0 | 4:0/16:0/18:0 | 8:0/14:0/16:0 |
| TAG 40:2 | C43H78O6 | 708.6143 | 4:0/18:0/18:1 | 4:0/18:0/18:2 | 6:0/16:0/18:2 |
| TAG 40:1 | C43H80O6 | 710.6299 | 6:0/16:0/18:1 | 8:0/14:0/18:1 | 10:0/12:0/18:1 |
| TAG 40:0 | C43H82O6 | 712.6455 | 8:0/16:0/16:0 | 6:0/16:0/18:0 | 4:0/18:0/18:0 |
| TAG 42:2 | C45H82O6 | 736.6455 | 8:0/16:0/18:2 | 10:0/14:0/18:2 | 6:0/18:1/18:1 |
| TAG 42:1 | C45H84O6 | 738.6612 | 10:0/14:0/18:1 | 8:0/16:0/18:1 | 12:0/12:0/18:1 |
| TAG 42:0 | C45H86O6 | 740.6768 | 12:0/14:0/16:0 | 8:0/16:0/18:0 | 10:0/14:0/18:0 |
| TAG 44:1 | C47H88O6 | 766.6925 | 10:0/16:0/18:1 | 12:0/14:0/18:1 | 12:0/16:0/16:1 |
| TAG 44:0 | C47H90O6 | 768.7081 | 14:0/14:0/16:0 | 10:0/16:0/18:0 | 4:0/16:0/24:0 |
| TAG 45:2 | C48H88O6 | 778.6926 | 12:0/15:0/18:2 | 10:0/17:1/18:1 | 14:1/15:0/16:1 |
| TAG 45:1 | C48H90O6 | 780.7082 | 14:0/15:0/16:1 | 14:1/15:0/16:0 | 12:0/15:0/18:1 |
| TAG 45:0 | C48H92O6 | 782.7238 | 14:0/15:0/16:0 | 12:0/16:0/17:0 | |
| TAG 46:2 | C49H90O6 | 792.7081 | 10:0/18:1/18:1 | 12:0/16:1/18:1 | 14:0/14:1/18:1 |
| TAG 46:1 | C49H92O6 | 794.7238 | 12:1/16:0/18:0 | 14:0/16:0/16:1 | 12:0/16:0/18:1 |
| TAG 46:0 | C49H94O6 | 796.7394 | 14:0/16:0/16:0 | 15:0/15:0/16:0 | |
| TAG 48:3 | C51H92O6 | 818.7238 | 14:1/16:1/18:1 | 14:0/16:0/18:3 | 14:0/16:1/18:2 |
| TAG 48:2 | C51H94O6 | 820.7394 | 14:0/16:1/18:1 | 14:0/16:0/18:2 | 12:0/18:1/18:1 |
| TAG 48:1 | C51H96O6 | 822.7551 | 14:0/16:0/18:1 | 16:0/16:0/16:1 | |
| TAG 48:0 | C51H98O6 | 824.7707 | 14:0/16:0/18:0 | 16:0/16:0/16:0 | 15:0/16:0/17:0 |
| TAG 49:2 | C52H96O6 | 834.7551 | 15:0/16:0/18:2 | 16:0/16:1/17:1 | 15:0/16:1/18:1 |
| TAG 49:1 | C52H98O6 | 836.7707 | 15:0/16:0/18:1 | 16:0/16:0/17:1 | |
| TAG 50:4 | C53H94O6 | 844.7394 | 14:0/18:2/18:2 | 14:0/18:1/18:3 | 16:1/16:1/18:2 |
| TAG 50:3 | C53H96O6 | 846.7551 | 14:0/18:1/18:2 | 16:0/16:1/18:2 | 14:1/18:1/18:1 |
| TAG 50:2 | C53H98O6 | 848.7707 | 16:0/16:1/18:1 | 14:0/18:1/18:1 | 16:0/16:0/18:2 |
| TAG 50:1 | C53H100O6 | 850.7864 | 16:0/16:0/18:1 | 16:0/16:1/18:0 | 16:0/17:0/17:1 |
| TAG 50:0 | C53H102O6 | 852.8020 | 16:0/16:0/18:0 | ||
| TAG 51:4 | C54H96O6 | 858.7551 | 15:0/18:2/18:2 | 15:0/18:1/18:3 | |
| TAG 51:3 | C54H98O6 | 860.7707 | 15:0/18:1/18:2 | 16:0/17:0/18:3 | 16:1/17:1/18:1 |
| TAG 51:2 | C54H100O6 | 862.7864 | 15:0/18:1/18:1 | 16:0/17:1/18:1 | 16:1/17:0/18:1 |
| TAG 51:1 | C54H102O6 | 864.8021 | 16:0/17:0/18:1 | 16:0/17:1/18:0 | 15:0/18:0/18:1 |
| TAG 51:0 | C54H104O6 | 866.8177 | 14:0/16:0/21:0 | 16:0/17:0/18:0 | |
| TAG 52:5 | C55H96O6 | 870.7551 | 14:0/18:1/20:4 | 16:0/16:1/20:4 | 16:1/18:2/18:2 |
| TAG 52:4 | C55H98O6 | 872.7707 | 16:0/18:2/18:2 | 16:0/18:1/18:3 | 16:1/18:1/18:2 |
| TAG 52:3 | C55H100O6 | 874.7864 | 16:0/18:1/18:2 | 16:1/18:1/18:1 | 16:0/16:0/20:3 |
| TAG 52:2 | C55H102O6 | 876.8020 | 16:0/18:1/18:1 | 17:0/17:1/18:1 | |
| TAG 52:1 | C55H104O6 | 878.8177 | 16:0/18:0/18:1 | 16:0/16:0/20:1 | |
| TAG 52:0 | C55H106O6 | 880.8333 | 16:0/18:0/18:0 | 14:0/16:0/22:0 | 17:0/17:0/18:0 |
| TAG 54:5 | C57H100O6 | 898.7864 | 18:1/18:2/18:2 | 18:1/18:1/18:3 | |
| TAG 54:4 | C57H102O6 | 900.8020 | 18:1/18:1/18:2 | 18:0/18:1/18:3 | |
| TAG 54:3 | C57H104O6 | 902.8177 | 18:0/18:1/18:2 | 18:0/18:0/18:3 | |
| TAG 54:2 | C57H106O6 | 904.8333 | 18:1/18:1/18:1 | 16:0/18:1/20:1 | |
| TAG 54:1 | C57H108O6 | 906.8490 | 16:0/16:1/22:0 | 14:0/16:1/24:0 | |
| TAG 54:0 | C57H110O6 | 908.8646 | 16:0/18:0/20:0 | 18:0/18:0/18:0 | |
| TAG 56:3 | C59H108O6 | 930.8490 | 18:0/18:0/20:3 | 18:0/18:3/20:0 | 18:1/18:1/20:1 |
| TAG 56:2 | C59H110O6 | 932.8646 | 16:1/18:1/22:0 | 18:0/18:1/20:1 | 18:1/18:1/20:0 |
| TAG 56:1 | C59H112O6 | 934.8803 | 16:0/18:1/22:0 | 16:0/16:1/24:0 | |