| Amino acids | 1 | 0.68 | 126.0230([M+H]+), 108.0121 | C2H7NO3S (125) | Taurine | 1 |
| 2 | 0.68 | 104.1080([M]+), 60.0812 | C5H14NO (104) | Choline | 1 |
| 3 | 0.69 | 134.0458([M+H]+), 116.0351, 88.0401, 74.0241 | C4H7NO4 (133) | Aspartic acid | 1 |
| 4 | 0.70 | 90.0557([M+H]+), 44.0488 | C3H7NO2 (89) | Alanine | 1 |
| 6 | 0.73 | 148.0614([M+H]+), 130.0508, 102.0557, 84.0452 | C5H9NO4 (147) | Glutamic acid | 1 |
| 7 | 0.75 | 176.1039([M+H]+), 159.0772, 113.0713 | C6H13N3O3 (175) | Citrulline | 1 |
| 10 | 0.86 | 146.1185([M+H]+), 87.0448, 60.0808, 58.0656 | C7H15NO2 (145) | Acetylcholine | 1 |
| 21 | 2.46 | 182.0819([M+H]+), 165.0553, 136.0764 | C9H11NO3 (181) | Tyrosine | 1 |
| 14 | 1.17 | 174.0771([M+H]+), 128.0715, 82.0658, 55.0547 | C7H11NO4 (173) | 2,6-Piperidinedicarboxylic acid | 2 |
| 30 | 4.56 | 205.0981([M+H]+), 188.0716, 146.0609, 118.0658 | C11H12N2O2 (204) | Tryptophan | 1 |
| Mycosporine-like amino acids | 11 | 0.86 | 245.1140([M+H]+), 230.0962, 227.1035, 209.0927, 186.1012 | C10H16N2O5 (244) | Palythine | 2 |
| 12 | 0.86 | 333.1304([M+H]+), 318.1062, 303.1194, 274.1173, 230.1271, 212.1150, 186.1012 | C13H20N2O8 (332) | Shinorine | 1 |
| 15 | 1.25 | 289.1400([M+H]+), 274.1161, 230.1272, 212.1168, 186.1004 | C12H20N2O6 (288) | Asterina-330 | 2 |
| 20 | 1.98 | 347.1457([M+H]+), 332.1229, 303.1196, 288.1314, 244.1430, 200.1165, 186.1011 | C14H22N2O8 (346) | Porphyra-334 | 1 |
| 22 | 2.91 | 317.1351([M+H]+), 302.1118, 258.1197, 214.1325 | C13H20N2O7 (316) | Mycosporine-glycine-alanine | 2 |
| 24 | 3.20 | 273.1445([M+H]+), 258.1216, 214.1308 | C12H20N2O5 (272) | Aplysiapalythine B | 2 |
| 28 | 4.10 | 285.1450([M+H]+), 270.1215, 241.0829, 226.1317, 197.0930 | C13H20N2O5 (284) | Usujirene | 2 |
| Nucleic acid related compounds | 13 | 1.06 | 324.0605([M+H]+), 112.0508 | C9H14N3O8P (323) | 5’-CMP | 1 |
| 16 | 1.35 | 325.0435([M+H]+), 97.0293 | C9H13N2O9P (324) | 5’-UMP | 1 |
| 18 | 1.79 | 349.0546([M+H]+), 137.0468 | C10H13N4O8P (348) | 5’-IMP | 1 |
| 19 | 1.97 | 364.0655([M+H]+), 152.0581 | C10H14N5O8P (363) | 5’-GMP | 1 |
| 23 | 2.94 | 267.0594([M+Na]+), 113.0349 | C9H12N2O6 (244) | Uridine | 1 |
| 25 | 3.86 | 268.1047([M+H]+), 136.0632 | C10H13N5O4 (267) | Adenosine | 1 |
| 26 | 3.88 | 284.0985([M+H]+), 152.0562 | C10H13N5O5 (283) | Guanosine | 1 |
| 27 | 3.89 | 291.0709([M+Na]+), 137.0469 | C10H12N4O5 (268) | Inosine | 1 |
| 29 | 4.52 | 298.0977([M+H]+), 136.0626 | C11H15N5O3S (297) | 5’-Methylthioadenosine | 2 |
| Organic acids | 17 | 1.76 | 215.0172([M+Na]+) | C6H8O7 (192) | Citric acid | 1 |
| Phospholipids | 32 | 9.54 | 516.3093([M+H]+), 184.0741, 104.1077 | C26H46NO7P (515) | LPC 18:4 | 2 |
| 33 | 9.80 | 468.3074([M+H]+), 450.2951, 184.0745, 104.1079 | C22H48NO7P (467) | LPC 14:0 | 2 |
| 34 | 9.94 | 500.2775([M+H]+), 359.2579 | C25H42NO7P (499) | LPE 20:5 | 2 |
| 35 | 9.99 | 542.3242([M+H]+), 524.3139, 258.1109, 240.0999, 184.0746, 104.1081 | C28H48NO7P (541) | LPC 20:5 | 2 |
| 36 | 10.05 | 518.3240([M+H]+), 500.3124, 258.1104, 240.1000, 184.0742, 104.1078 | C26H50NO7P (517) | LPC 18:3 | 2 |
| 37 | 10.43 | 478.2934([M+H]+), 337.2733 | C23H44NO7P (477) | LPE 18:2 | 2 |
| 38 | 10.46 | 502.2930([M+H]+), 361.2742 | C25H44NO7P (501) | LPE 20:4 | 2 |
| 39 | 10.49 | 520.3401([M+H]+), 502.3302, 258.1119, 240.1003, 184.0746, 104.1081 | C26H50NO7P (519) | LPC 18:2 | 2 |
| 40 | 10.51 | 544.3406([M+H]+), 526.3295, 258.1118, 240.1002, 184.0745, 104.1080 | C28H50NO7P (543) | LPC 20:4 | 2 |
| 41 | 10.54 | 452.2770([M+H]+), 311.2576 | C21H42NO7P (451) | LPE 16:1 | 2 |
| 42 | 10.61 | 494.3245([M+H]+), 476.3133, 184.0743, 104.1078 | C22H46NO7P (493) | LPC 16:1 | 2 |
| 44 | 10.79 | 454.2924([M+H]+), 313.2760 | C21H44NO7P (453) | LPE 16:0 | 1 |
| 45 | 10.83 | 504.3085([M+H]+), 363.2905 | C25H46NO7P (503) | LPE 20:3 | 2 |
| 46 | 10.87 | 496.3395([M+H]+), 478.3294, 258.1115, 240.1004, 184.0745, 104.1080 | C24H50NO7P (495) | LPC 16:0 | 1 |
| 47 | 10.90 | 546.3557[M+H]+), 528.3472, 184.0744, 104.1079 | C28H50NO7P (545) | LPC 20:3 | 2 |
| 48 | 11.11 | 480.3084([M+H]+), 339.2912 | C23H46NO7P (479) | LPE 18:1 | 2 |
| 49 | 11.19 | 522.3559([M+H]+), 504.3427, 258.1104, 184.0741, 104.1077 | C26H52NO7P (521) | LPC 18:1 | 2 |
| 51 | 12.05 | 524.3704([M+H]+), 184.0742, 104.1079 | C26H54NO7P (523) | LPC 18:0 | 2 |
| 52 | 12.28 | 550.3872([M+H]+), 184.0748, 104.1078 | C28H56NO7P (549) | LPC 20:1 | 2 |
| Glycolipids | 43 | 10.72 | 677.3721([M+Na]+), 515.3207 | C31H58O14 (654) | DGMG 16:0 | 2 |
| Betaine lipids | 50 | 11.34 | 474.3788([M+H]+), 236.1500 | C26H51NO6 (473) | MGTS 16:0 | 2 |
| Fatty acids | 53 | 12.59 | 303.2331([M+H]+), 119.0861, 105.0709, 91.0555 | C20H30O2 (302) | Eicosapentaenoic acid | 2 |
| Others | 5 | 0.72 | 258.1110([M+H]+), 184.0741, 125.0007, 104.1080, 86.0972, 60.0811 | C8H20NO6P (257) | Glycerophosphocholine | 2 |
| 8 | 0.80 | 247.0587([M+H]+), 173.0219 | C6H15O8P (246) | Glycerophosphoglycerol | 2 |
| 9 | 0.84 | 277.0901([M+Na]+), 163.0612, 93.0554 | C9H18O8 (254) | Galactosylglycerol | 1 |
| 31 | 7.42 | 587.2862([M+H]+), 464.2167, 450.2014 | C33H38N4O6 (586) | Phycoerythrobilin | 2 |