| Amino acids | 1 | 0.68 | 126.0229([M+H]+), 108.0123 | C2H7NO3S (125) | Taurine | 1 |
| 3 | 0.69 | 134.0459([M+H]+), 116.0351, 88.0402, 74.0243 | C4H7NO4 (133) | Aspartic acid | 1 |
| 4 | 0.70 | 90.0558([M+H]+), 44.0489 | C3H7NO2 (89) | Alanine | 1 |
| 6 | 0.73 | 148.0615([M+H]+), 130.0509, 102.0558, 84.0451 | C5H9NO4 (147) | Glutamic acid | 1 |
| Mycosporine-like amino acids | 10 | 0.85 | 333.1300([M+H]+), 318.1060, 303.1192, 274.1171, 230.1272, 212.1149, 186.1012 | C13H20N2O8 (332) | Shinorine | 3 |
| 14 | 1.27 | 289.1397([M+H]+), 274.1162, 230.1274, 212.1169, 186.1003 | C12H20N2O6 (288) | Asterina-330 | 7 |
| 19 | 1.89 | 347.1458([M+H]+), 332.1228, 303.1197, 288.1316, 244.1429, 200.1164, 186.1007 | C14H22N2O8 (346) | Porphyra-334 | 3 |
| 20 | 2.79 | 317.1353([M+H]+), 302.1119, 258.1199, 214.1326 | C13H20N2O7 (316) | Mycosporine-glycine-alanine | 4 |
| 22 | 3.21 | 273.1449([M+H]+), 258.1217, 214.1310 | C12H20N2O5 (272) | Aplysiapalythine B | 4 |
| 26 | 4.08 | 285.1451([M+H]+), 270.1216, 241.0828, 226.1319, 197.0931 | C13H20N2O5 (284) | Usujirene | 4 |
| Nucleic acids | 11 | 1.04 | 324.0588([M+H]+), 112.0509 | C9H14N3O8P (323) | 5’-CMP | 1 |
| 13 | 1.20 | 325.0443([M+H]+), 97.0294 | C9H13N2O9P (324) | 5’-UMP | 1 |
| 15 | 1.46 | 244.0930([M+H]+), 112.0518 | C9H13N3O5 (243) | Cytidine | 1 |
| 17 | 1.72 | 349.0548([M+H]+), 137.0465 | C10H13N4O8P (348) | 5’-IMP | 1 |
| 18 | 1.80 | 364.0650([M+H]+), 152.0583 | C10H14N5O8P (363) | 5’-GMP | 1 |
| 21 | 2.79 | 267.0604([M+Na]+), 113.0347 | C9H12N2O6 (244) | Uridine | 1 |
| 23 | 3.82 | 268.1048([M+H]+), 136.0628, 119.0360 | C10H13N5O4 (267) | Adenosine | 1 |
| 24 | 3.83 | 284.09985([M+H]+), 152.0579 | C10H13N5O5 (283) | Guanosine | 1 |
| 25 | 3.83 | 291.0765([M+Na]+), 137.0472 | C10H12N4O5 (268) | Inosine | 1 |
| Lysophospholipids | 28 | 8.55 | 468.3084([M+H]+), 450.2981, 258.1102, 184.0735, 104.1076 | C22H46NO7P (467) | LPC 14:04) | 2 |
| 29 | 8.63 | 500.2779([M+H]+), 359.2575 | C25H42NO7P (499) | LPE 20:55) | 2 |
| 30 | 8.72 | 542.3242([M+H]+), 524.3139, 258.1109, 240.0999, 184.0746, 104.1081 | C28H48NO7P (541) | LPC 20:5 | 2 |
| 31 | 8.80 | 518.3239([M+H]+), 500.3124, 258.1104, 240.1000, 184.0742, 104.1078 | C26H50NO7P (517) | LPC 18:3 | 2 |
| 32 | 9.24 | 478.2934([M+H]+), 337.2732 | C23H44NO7P (477) | LPE 18:2 | 2 |
| 33 | 9.27 | 502.2929([M+H]+), 361.2746 | C25H44NO7P (501) | LPE 20:4 | 2 |
| 34 | 9.39 | 520.3404([M+H]+), 502.3287, 258.1090, 240.1009, 184.0741, 104.1079 | C26H50NO7P (519) | LPC 18:2 | 2 |
| 35 | 9.41 | 544.3409([M+H]+), 526.3295, 258.11, 240.10, 184.07, 104.10 | C28H50NO7P (543) | LPC 20:4 | 2 |
| 36 | 9.41 | 452.28([M+H]+), 311.26 | C21H42NO7P (451) | LPE 16:1 | 2 |
| 37 | 9.58 | 494.32([M+H]+), 476.31, 258.11, 240.1003, 184.0746, 104.1081 | C22H46NO7P (493) | LPC 16:1 | 2 |
| 38 | 9.77 | 454.2927([M+H]+), 313.2735 | C21H44NO7P (453) | LPE 16:0 | 2 |
| 39 | 9.83 | 504.3088([M+H]+), 363.2903 | C25H46NO7P (503) | LPE 20:3 | 2 |
| 40 | 9.98 | 496.3405([M+H]+), 478.3294, 258.1119, 240.10, 184.07, 104.10 | C24H50NO7P (495) | LPC 16:0 | 2 |
| 41 | 10.01 | 546.36[M+H]+), 528.34, 258.1115, 240.1004, 184.0745, 104.1080 | C28H50NO7P (545) | LPC 20:3 | 2 |
| 42 | 10.28 | 480.3085([M+H]+), 339.2911 | C23H46NO7P (479) | LPE 18:1 | 2 |
| 43 | 10.47 | 522.3560([M+H]+), 504.3444, 258.1104, 184.0741, 104.1077 | C26H52NO7P (521) | LPC 18:1 | 2 |
| 44 | 11.09 | 548.3713([M+H]+), 184.0744, 104.1082 | C28H54NO7P (547) | LPC 20:2 | 2 |
| 45 | 12.15 | 524.3716([M+H]+), 184.0738, 104.1078 | C26H54NO7P (523) | LPC 18:0 | 2 |
| 46 | 12.53 | 550.3868([M+H]+), 184.0741, 104.1078 | C28H56NO7P (549) | LPC 20:1 | 2 |
| Others | 2 | 0.68 | 104.1079([M]+), 60.0811, 58.0652 | C5H14NO (104) | Choline | 1 |
| 5 | 0.72 | 258.1108([M+H]+), 184.0741, 125.0007, 104.1080, 86.0972, 60.0811 | C8H20NO6P (257) | Glycerophosphocholine | 1 |
| 7 | 0.73 | 247.0585([M+H]+), 173.0219 | C6H15O8P (246) | Glycerophosphoglycerol | 2 |
| 8 | 0.84 | 277.0900([M+Na]+), 163.0611, 93.0554 | C9H18O8 (254) | 3-β-D-Galactosyl-sn-glycerol | 3 |
| 9 | 0.84 | 146.1184([M]+), 87.0450, 60.0811 | C7H16NO2 (145) | Acetylcholine | 1 |
| 12 | 1.17 | 174.0772([M+H]+), 128.0716, 82.0659, 55.0546 | C7H11NO4 (173) | 2,6-Piperidinedicarboxylicacid | 6 |
| 16 | 1.69 | 215.0172([M+Na]+), 147.0311 | C6H8O7 (192) | Citric acid | 1 |
| 27 | 6.87 | 587.2882([M+H]+), 464.2175, 450.2021 | C33H38N4O6 (586) | Phycoerythrobilin | 5 |