TABLE 1.
Representative differential metabolites in serum of control, model and CuB group.
| No. | RT | Metabolite | Formula | MW | HMDB ID | ESI mode | MS/MS fragments | Change trend | ||
|---|---|---|---|---|---|---|---|---|---|---|
| a | b | c | ||||||||
| 1 | 2.24 | Succinylacetoacetate | C8H10O6 | 202.0456 | HMDB0240258 | + | [203.0528] | - | ↓ | - |
| 2 | 2.26 | Bergapten | C12H8O4 | 216.0404 | HMDB0030637 | − | [215.0332] [141.0374] | - | ↓ | - |
| 3 | 2.51 | Aminopropylcadaverine | C8H21N3 | 159.1247 | HMDB0012189 | + | [160.1811] [101.1104] | - | ↑ | ↓ |
| 4 | 2.93 | 6,8-Dihydroxypurine | C5H4N4O2 | 152.0330 | HMDB0001182 | + | [153.0408] [110.0350] [108.0205] | - | ↑ | ↓ |
| 5 | 3.18 | Hypoxanthine | C5H4N4O | 136.0386 | HMDB0000157 | + | [137.0458] [119.0343] [110.0349] | ↑ | ↑ | ↓ |
| 6 | 3.20 | Inosine | C10H12N4O5 | 268.0807 | HMDB0000195 | − | [267.0739] [135.0315] [108.0203] | ↑ | - | ↓ |
| 7 | 3.45 | L-Norieucine | C6H13NO2 | 131.0946 | HMDB0001645 | + | [132.1016] [104.0778] | - | ↑ | ↓ |
| 8 | 8.55 | Indoleacrylic acid | C11H9NO2 | 187.0637 | HMDB0000734 | + | [188.0707] [170.0590] [128.0490] | ↑ | - | ↓ |
| 9 | 12.75 | Taurallocholic acid | C26H45NO7S | 515.2917 | HMDB0000922 | − | [514.2857] [496.2763] | - | ↑ | ↓ |
| 10 | 14.31 | Deoxycytidine | C9H13N3O4 | 227.1883 | HMDB0000014 | + | [228.0948] [132.0528] | - | ↓ | ↑ |
| 11 | 16.44 | Succinic acid | C4H6O4 | 118.0782 | HMDB0000254 | + | [119.0333] | - | ↑ | ↓ |
| 12 | 16.47 | 4-O-Methylmelleolide | C24H30O6 | 414.2044 | HMDB0037039 | + | [415.2115] [397.2046] | ↓ | - | ↓ |
| 13 | 16.47 | N-Eicosapentaenoyl glutamic acid | C25H37NO5 | 431.2312 | HMDB0242070 | + | [175.1084] [130.0581] [103.0546] | ↓ | - | ↓ |
| 14 | 17.37 | LysoPC(16:1(9Z)/0:0) | C24H48NO7P | 493.3165 | HMDB0010383 | + | [494.3241] [476.3111] [104.1068] | ↑ | - | ↑ |
| 15 | 18.14 | LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | C27H44NO7P | 525.2856 | HMDB0011526 | + | [526.2935] [385.2725] [311.2344] | ↑ | ↑ | ↓ |
| 16 | 18.25 | LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) | C29H48NO7P | 613.3387 | HMDB0011529 | − | [552.3093] [152.9970] | ↑ | ↑ | ↓ |
| 17 | 18.34 | LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | C30H50NO7P | 567.3324 | HMDB0010404 | + | [568.3389] [184.0725] [104.1072] | ↑ | ↑ | ↓ |
| 18 | 18.34 | Guanosine diphosphate mannose | C16H25N5O16P2 | 605.2825 | HMDB0001163 | + | [241.0074] [121.0509] | ↑ | ↑ | ↓ |
| 19 | 18.35 | LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) | C25H44NO7P | 501.2856 | HMDB0011518 | + | [502.2931] [361.2740] [119.0850] | ↑ | ↑ | ↓ |
| 20 | 18.44 | PE(22:4(7Z,10Z,13Z,16Z)/0:0) | C27H48NO7P | 589.3383 | LMGP02050014 | − | [528.3098] [152.9951] | ↑ | ↑ | ↓ |
| 21 | 18.54 | LysoPC(20:4(8Z,11Z,14Z,17Z)/0:0) | C28H50NO7P | 543.3326 | HMDB0010396 | + | [544.3399] [526.3279] [184.0735] | ↑ | ↑ | ↓ |
| 22 | 18.57 | LysoPC(0:0/18:2(9Z,12Z)) | C26H50NO7P | 519.3324 | HMDB0061700 | + | [520.3398] [502.3268] [184.0732] | - | ↑ | ↓ |
| 23 | 18.58 | Acrimarine N | C32H31NO8 | 557.2836 | HMDB0040791 | + | [380.1447] | - | ↑ | - |
| 24 | 18.58 | LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | C28H48NO7P | 541.3040 | HMDB0010397 | + | [542.3219] [184.0733] [104.1072] | ↑ | ↑ | ↓ |
| 25 | 19.36 | LysoPC(15:0/0:0) | C23H48NO7P | 481.3166 | HMDB0010381 | − | [480.3099] [224.0690] [152.9960] | ↑ | - | ↑ |
| 26 | 19.37 | PS(20:2(11Z,14Z)/0:0) | C26H48NO9P | 609.3249 | LMGP03050021 | − | [548.2997] | ↑ | - | - |
| 27 | 19.45 | LysoPE(22:2(13Z,16Z)/0:0) | C27H52NO7P | 533.2825 | HMDB0011522 | + | [534.3581] [109.1007] | ↑ | ↑ | ↓ |
| 28 | 19.46 | LysoPC(0:0/16:0) | C24H50NO7P | 495.3326 | HMDB0240262 | + | [496.3399] [478.3259] [184.0734] | ↑ | ↑ | ↓ |
| 29 | 20.09 | LysoPE(16:0/0:0) | C21H44NO7P | 453.2850 | HMDB0011503 | + | [454.2930] [436.2812] [313.2738] | ↑ | ↑ | ↓ |
| 30 | 20.19 | LysoPC(20:3(8Z,11Z,14Z)/0:0) | C28H52NO7P | 545.3487 | HMDB0010394 | + | [546.3546] [528.3390] [184.0725] | ↑ | ↑ | ↓ |
| 31 | 20.77 | LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) | C30H52NO7P | 569.3480 | HMDB0010403 | + | [570.3543] [184.0731] [104.1068] | - | ↑ | ↓ |
| 32 | 21.08 | Elaidic carnitine | C25H47NO4 | 425.3500 | HMDB0006464 | + | [426.3573] [265.2531] [247.2397] | ↑ | ↑ | ↓ |
| 33 | 21.53 | PS(21:0/0:0) | C27H54NO9P | 567.3540 | LMGP03050026 | − | [566.3461] [171.0076] [152.9948] | - | ↑ | ↓ |
| 34 | 21.55 | PE(14:0/14:0) | C33H66NO8P | 635.3408 | HMDB0008821 | − | [152.9933] | - | ↑ | - |
| 35 | 21.68 | LysoPC(18:1(9Z)/0:0) | C26H52NO7P | 521.3484 | HMDB0002815 | + | [522.3555] [184.0730] [104.1068] | ↑ | ↑ | ↓ |
| 36 | 21.68 | Adenosine diphosphate ribose | C15H23N5O14P2 | 559.2988 | HMDB0001178 | + | [103.0382] | ↑ | ↑ | ↓ |
| 37 | 23.19 | LysoPC(20:2(11Z,14Z)/0:0) | C28H54NO7P | 547.3634 | HMDB0010392 | + | [548.3710] [365.3045] [104.1071] | - | ↑ | - |
| 38 | 23.24 | LysoPC(17:0/0:0) | C26H54NO7P | 509.3477 | HMDB0012108 | + | [510.3549] [124.9982] [104.1064] | - | ↑ | - |
| 39 | 26.00 | LysoPE(0:0/18:0) | C23H48NO7P | 481.3159 | HMDB0011129 | + | [482.3243] [341.3037] [216.0609] | - | ↑ | ↓ |
| 40 | 26.36 | Protoporphyrin IX | C34H34N4O4 | 561.3148 | HMDB0000241 | + | [563.2646] [503.2495] | ↑ | ↑ | ↓ |
| 41 | 26.36 | Platelet-activating factor | C26H54NO7P | 523.3640 | HMDB0062195 | + | [524.3701] [341.3097] [184.0727] | ↑ | ↑ | ↓ |
| 42 | 27.73 | PC(18:1(9Z)e/2:0) | C28H56NO7P | 549.3792 | HMDB0011148 | + | [550.3864] [367.3217] [184.0726] | ↑ | ↑ | - |
RT, retention time; a, control group vs. early stage of HCC; b, control group vs. formative stage of HCC; c, formative stage of HCC vs. CuB group; “↑” mean up; “↓” mean down; “-” mean not detected.