Table 3. The 40 lipid signatures identified in the serum samples.
| Lipids | Candidatesa | R.T. (min) | m/z | Fragments | Formula | Trend b | AUC c | ||
|---|---|---|---|---|---|---|---|---|---|
| [M+H]+ | [M+NH4]+ | [M-H]- | |||||||
| Glycerolipids | |||||||||
| TG(44:1) | TG(12:0/14:0/18:1) [iso6] | 11.07 | 766.6996 | 549, 521, 467, 265, 211, 183 | C47H88O6 | Down | 0.76 | ||
| TG(46:0) | TG(12:0/16:0/18:0) [iso6] | 12.24 | 796.7466 | 579, 523, 495, 267, 239, 183 | C49H94O6 | Down | 0.80 | ||
| TG(46:1) | TG(12:0/16:0/18:1) [iso6] | 11.59 | 794.7312 | 577, 521, 495, 265, 239, 183 | C49H92O6 | Down | 0.80 | ||
| TG(46:2) | TG(12:0/16:0/18:2) [iso6] | 11.12 | 792.7155 | 575, 519, 495, 263, 239, 183 | C49H90O6 | Down | 0.76 | ||
| TG(46:3) | TG(12:0/16:0/18:3) [iso6] | 10.79 | 790.6998 | 573, 517, 495, 261, 239, 183 | C49H88O6 | Down | 0.65 | ||
| TG(47:0) | TG(15:0/16:0/16:0) [iso3] | 12.66 | 810.7620 | 551, 537, 239, 225 | C50H96O6 | Down | 0.75 | ||
| TG(48:0) | TG(16:0/16:0/16:0) | 13.10 | 824.7780 | 551, 239 | C51H98O6 | Down | 0.88 | ||
| TG(48:1) | TG(14:0/16:0/18:1) [iso6] | 12.27 | 822.7625 | 577, 549, 523, 265, 239, 211 | C51H96O6 | Down | 0.81 | ||
| TG(48:2) | TG(14:0/16:0/18:2) [iso6] | 11.66 | 820.7471 | 575, 547, 523, 263, 239, 211 | C51H94O6 | Down | 0.77 | ||
| TG(48:3) | TG(14:0/16:1/18:2) [iso6] | 11.36 | 818.7314 | 573, 547, 521, 263, 237, 211 | C51H92O6 | Down | 0.68 | ||
| TG(49:0) | TG(16:0/16:0/17:0) [iso3] | 13.67 | 838.7937 | 565, 551, 253, 239 | C52H100O6 | Down | 0.83 | ||
| TG(49:1) | TG(16:0/16:1/17:0) [iso6] | 12.70 | 836.7783 | 565, 563, 549, 253, 239, 237 | C52H98O6 | Down | 0.84 | ||
| TG(50:0) | TG(16:0/16:0/18:0) [iso3] | 14.28 | 852.8092 | 579, 551, 267, 239 | C53H102O6 | Down | 0.94 | ||
| TG(51:1) | TG(16:0/17:0/18:1) [iso6] | 13.72 | 864.8101 | 591, 577, 565, 265, 253, 239 | C54H102O6 | Down | 0.85 | ||
| TG(52:0) | TG(16:0/18:0/18:0) [iso3] | 15.81 | 880.8416 | 607, 579, 267, 239 | C55H106O6 | Down | 0.94 | ||
| TG(52:1) | TG(16:0/18:0/18:1) [iso6] | 14.33 | 878.8249 | 605, 579, 577, 267, 265, 239 | C55H104O6 | Down | 0.93 | ||
| TG(53:1) | TG(17:0/18:0/18:1) [iso6] | 15.04 | 892.8420 | 605, 593, 591, 267, 265, 253 | C56H106O6 | Down | 0.87 | ||
| TG(53:2) | TG(17:0/18:1/18:1) [iso3] | 13.76 | 890.8261 | 603, 591, 265, 253 | C56H104O6 | Down | 0.86 | ||
| TG(60:10) | TG(18:0/20:4/22:6) [iso6] | 11.73 | 972.8104 | 671, 651, 627, 311, 287, 267 | C63H102O6 | Down | 0.87 | ||
| Glycerophospholipids | |||||||||
| LPC(18:3) | 2.25 | 518.3275 | 500, 258, 184, 104 | C26H48NO7P | Down | 0.77 | |||
| LPC(20:5) | 1.86 | 542.3276 | 524, 258, 184, 104 | C28H48NO7P | Down | 0.72 | |||
| LPC(22:6) | 1.78 | 568.3458 | 550, 258, 184, 104 | C30H50NO7P | Down | 0.86 | |||
| PC(33:0) | PC(15:0/18:0) [iso2] | 6.74 | 748.5811 | 689, 522, 480, 184 | C41H82NO8P | Down | 0.80 | ||
| PC(40:7) | PC(18:1/22:6) [iso2] | 6.98 | 832.5880 | 773, 566, 520, 184 | C48H82NO8P | Down | 0.76 | ||
| PC(40:9) | PC(18:3/22:6) [iso2] | 7.13 | 828.5597 | 769, 566, 516, 184 | C48H78NO8P | Down | 0.75 | ||
| PE(36:4) | PE(16:0/20:4) [iso2] | 7.36 | 738.5105 | 303, 255, 196 | C41H74NO8P | Down | 0.79 | ||
| PE(38:6) | PE(16:0/22:6) [iso2] | 7.24 | 762.5046 | 327, 255, 196 | C43H74NO8P | Down | 0.81 | ||
| PE(40:6) | PE(18:0/22:6) [iso2] | 7.90 | 790.5393 | 327, 283, 196 | C45H78NO8P | Down | 0.80 | ||
| PEp(36:4) | PE(P-16:0/20:4) | 7.67 | 722.5156 | 436, 303, 259, 196 | C41H74NO7P | Down | 0.83 | ||
| PEp(38:4) | PE(P-18:0/20:4) | 8.33 | 750.5464 | 464, 303, 259, 196 | C43H78NO7P | Down | 0.75 | ||
| PEp(38:6) | PE(P-16:0/22:6) | 7.52 | 746.5135 | 436, 327, 283, 196 | C43H74NO7P | Down | 0.87 | ||
| PEp(40:6) | PE(P-18:0/22:6) | 8.19 | 774.5468 | 464, 327, 283, 196 | C45H78NO7P | Down | 0.82 | ||
| PEp(40:7) | PE(P-18:1/22:6) | 7.64 | 772.5317 | 462, 327, 283, 196 | C45H76NO7P | Down | 0.81 | ||
| PI(36:4) | PI(18:2/18:2) | 4.69 | 857.5140 | 577, 279, 153 | C45H79O13P | Up | 0.78 | ||
| Sphingolipids | |||||||||
| Cer(d32:0) | Cer(d18:0/14:0) | 8.04 | 512.5089 | 494, 282, 264, 252 | C32H65NO3 | Up | 0.88 | ||
| Cer(d38:0) | Cer(d18:0/20:0) | 10.00 | 596.6013 | 578, 282, 264, 252 | C38H77NO3 | Up | 0.70 | ||
| Cer(d40:0) | Cer(d18:0/22:0) | 10.50 | 624.6342 | 606, 282, 264, 252 | C40H81NO3 | Up | 0.66 | ||
| SM(d42:1) | SM(d18:1/14:0) | 6.42 | 675.5510 | 657, 184 | C37H75N2O6P | Down | 0.89 | ||
| Sterol lipids | |||||||||
| CE(18:1) | 12.92 | 668.6399 | 369 | C45H78O2 | Down | 0.71 | |||
| CE(22:6) | 11.44 | 714.6257 | 369 | C49H76O2 | Down | 0.86 | |||
a [iso6] means that the lipid might have six candidates/isomers, further analysis is needed for structure identification. Similar means for [iso3] and [iso2].
b “Up” and “Down” represent the lipid is up- and down-regulated in serum of HCC patients compared to health individuals, respectively.
c AUC value of ROC analysis between HCC patients and healthy subjects.