介绍
metID
中的数据库类为 databaseClass
。你可以使用 metID
中的演示数据库来进行探索。
library(metid)
#> metid 1.2.34 (2024-09-25 20:39:25.601661)
#>
#> Attaching package: 'metid'
#> The following object is masked _by_ 'package:massdataset':
#>
#> check_mass_dataset
#> The following object is masked _by_ 'package:masstools':
#>
#> remove_noise
#> The following object is masked from 'package:stats':
#>
#> filter
data("snyder_database_rplc0.0.3")
snyder_database_rplc0.0.3
#> -----------Base information------------
#> Version:0.0.2
#> Source:MS
#> Link:http://snyderlab.stanford.edu/
#> Creater:Xiaotao Shen(shenxt1990@163.com)
#> With RT information
#> -----------Spectral information------------
#> 14 items of metabolite information:
#> Lab.ID; Compound.name; mz; RT; CAS.ID; HMDB.ID; KEGG.ID; Formula; mz.pos; mz.neg (top10)
#> 917 metabolites in total.
#> 356 metabolites with spectra in positive mode.
#> 534 metabolites with spectra in negative mode.
#> Collision energy in positive mode (number:):
#> Total number:2
#> NCE25; NCE50
#> Collision energy in negative mode:
#> Total number:2
#> NCE25; NCE50
class(snyder_database_rplc0.0.3)
#> [1] "databaseClass"
#> attr(,"package")
#> [1] "metid"
它包含三个部分:
- spectra.info: 数据库中所有代谢物/化合物的信息。
Lab.ID | Compound.name | mz | RT | CAS.ID | HMDB.ID | KEGG.ID | Formula | mz.pos | mz.neg | Submitter | Family | Sub.pathway | Note |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RPLC_1 | Pyrrole-3-carboxylic acid | 111.032 | 42.00000 | NA | NA | NA | C5H5NO2 | 112.0393 | 110.02470 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_2 | 3-Furoic acid | 112.016 | 60.00000 | NA | NA | NA | C5H4O3 | 113.0233 | 111.00880 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_3 | 3,4-Dehydro-DL-proline | 113.0477 | 30.00000 | NA | NA | NA | C5H7NO2 | 114.0550 | 112.04040 | Mix_A | Amino acids and conjugates | NA | NA |
RPLC_4 | 1-Methylhydantoin | 114.0429 | 30.00000 | NA | NA | NA | C4H6N2O2 | 115.0502 | 113.03560 | Mix_A | Miscellaneous | NA | NA |
RPLC_5 | 5-Methylcytosine hydrochloride | 125.0589 | 30.00000 | NA | NA | NA | C5H7N3O | 126.0662 | 124.05160 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_6 | 5-Aminoimidazole-4-carboxamide hydrochloride | 126.0542 | 30.00000 | NA | NA | NA | C4H6N4O | 127.0614 | 125.04690 | Mix_A | Imidazoles and derivatives | NA | NA |
RPLC_7 | 2-Pyrrolidinone-5-carboxylic acid | 129.0426 | 33.00000 | NA | NA | NA | C5H7NO3 | 130.0499 | 128.03530 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_8 | Nicotinamide-N-Oxide | 138.0429 | 33.00000 | NA | NA | NA | C6H6N2O2 | 139.0502 | 137.03560 | Mix_A | Pyridines and derivatives | NA | NA |
RPLC_9 | 2-(4-Hydroxyphenyl)ethanol (Tyrosol) | 138.0681 | 95.40000 | NA | NA | NA | C8H10O2 | 139.0754 | 137.06080 | Mix_A | Alcohols and polyols | NA | NA |
RPLC_10 | 5-(Hydroxymethyl)uracil | 142.0378 | 73.20000 | NA | NA | NA | C5H6N2O3 | 143.0451 | 141.03060 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_11 | 7-Methyladenine | 149.0701 | 48.00000 | NA | NA | NA | C6H7N5 | 150.0774 | 148.06290 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_12 | 1-Methylhypoxanthine | 150.0542 | 73.20000 | NA | NA | NA | C6H6N4O | 151.0614 | 149.04690 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_13 | 4,6-Diamino-5-(formylamino)pyrimidine (FAPy-Adenine) | 153.0651 | 33.00000 | NA | NA | NA | C5H7N5O | 154.0723 | 152.05780 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_14 | 4-Deoxypyridoxine | 153.079 | 33.00000 | NA | NA | NA | C8H11NO2 | 154.0863 | 152.07170 | Mix_A | Pyridines and derivatives | NA | NA |
RPLC_15 | 2,3-Dihydroxybenzoic acid | 154.0266 | 78.60000 | NA | NA | NA | C7H6O4 | 155.0339 | 153.01930 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_16 | 5-Hydroxymethyl-6-methyluracil | 156.0535 | 33.00000 | NA | NA | NA | C6H8N2O3 | 157.0608 | 155.04620 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_17 | 1-Methylguanine | 165.0651 | 58.20000 | NA | NA | NA | C6H7N5O | 166.0723 | 164.05780 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_18 | 7-Methylxanthine | 166.0491 | 574.80000 | NA | NA | NA | C6H6N4O2 | 167.0564 | 165.04180 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_19 | 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid (Hydantoin-5-propionic acid) | 172.0484 | 33.00000 | NA | NA | NA | C6H8N2O4 | 173.0557 | 171.04110 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_20 | 3-Indoleacetic acid | 175.0633 | 217.20000 | NA | NA | NA | C10H9NO2 | 176.0706 | 174.05600 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_21 | (-)-Cotinine | 176.095 | 170.40000 | NA | NA | NA | C10H12N2O | 177.1022 | 175.08770 | Mix_A | Miscellaneous | NA | NA |
RPLC_22 | (+/-)-Salsolinol Hydrochloride | 179.0946 | 33.00000 | NA | NA | NA | C10H13NO2 | 180.1019 | 178.08730 | Mix_A | Alcohols and polyols | NA | NA |
RPLC_23 | 4-Pyridoxic acid | 183.0532 | 54.60000 | NA | NA | NA | C8H9NO4 | 184.0604 | 182.04590 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_24 | 3-Indoleacrylic acid | 187.0633 | 321.60000 | NA | NA | NA | C11H9NO2 | 188.0706 | 186.05600 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_25 | 5-Hydroxyindole-3-acetic acid | 191.0582 | 111.60000 | NA | NA | NA | C10H9NO3 | 192.0655 | 190.05100 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_26 | 3-Indolebutyric acid | 203.0946 | 336.60000 | NA | NA | NA | C12H13NO2 | 204.1019 | 202.08730 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_27 | 5-Acetylamino-6-amino-3-methyluracil Hydrate | 216.0859 | 170.40000 | NA | NA | NA | C7H12N4O4 | 217.0931 | 215.07860 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_28 | 2'-Deoxycytidine | 227.0906 | 33.00000 | NA | NA | NA | C9H13N3O4 | 228.0979 | 226.08330 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_29 | 2'-Deoxyuridine | 228.0746 | 43.20000 | NA | NA | NA | C9H12N2O5 | 229.0819 | 227.06730 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_30 | 2'-Deoxyinosine | 252.0859 | 66.00000 | NA | NA | NA | C10H12N4O4 | 253.0931 | 251.07860 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_31 | 5-Methylcytidine | 257.1012 | 33.00000 | NA | NA | NA | C10H15N3O5 | 258.1085 | 256.09390 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_32 | 3-O-Methyluridine | 258.0852 | 52.80000 | NA | NA | NA | C10H14N2O6 | 259.0925 | 257.07790 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_33 | D-Fructose 6-phosphate trisodium salt hydrate | 260.0297 | 33.00000 | NA | NA | NA | C6H13O9P | 261.0370 | 259.02240 | Mix_A | Carbohydrates and conjugates | NA | NA |
RPLC_34 | 8-Hydroxy-2'-deoxyguanosine | 283.0917 | 111.60000 | NA | NA | NA | C10H13N5O5 | 284.0990 | 282.08440 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_35 | 5,7,3,4'-Tetrahydroxyflavanone (Eriodictyol) | 288.0634 | 346.20000 | NA | NA | NA | C15H12O6 | 289.0707 | 287.05610 | Mix_A | Miscellaneous | NA | NA |
RPLC_36 | (-)Epicatechin | 290.079 | 212.40000 | NA | NA | NA | C15H14O6 | 291.0863 | 289.07180 | Mix_A | Miscellaneous | NA | NA |
RPLC_37 | 13-OxoODE | 294.2195 | 581.40000 | NA | NA | NA | C18H30O3 | 295.2268 | 293.21220 | Mix_A | Fatty acids and conjugates | NA | NA |
RPLC_38 | 5'-Deoxy-5'-(methylthio)adenosine | 297.0896 | 249.00000 | NA | NA | NA | C11H15N5O3S | 298.0968 | 296.08230 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_39 | 7-Methylguanosine | 297.1073 | 33.00000 | NA | NA | NA | C11H15N5O5 | 298.1146 | 296.10000 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_40 | AMP (Adenosine 3'-Monophosphate Hydrate) | 347.0631 | 71.40000 | NA | NA | NA | C10H14N5O7P | 348.0704 | 346.05580 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_41 | N,N-Dimethylguanidine sulfate | 87.0796 | 33.00000 | NA | NA | NA | C3H9N3 | 88.0869 | 86.07240 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_42 | L-Serine | 105.0426 | 33.00000 | NA | NA | NA | C3H7NO3 | 106.0499 | 104.03530 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_43 | Levulinic acid | 116.0473 | 39.60000 | NA | NA | NA | C5H8O3 | 117.0546 | 115.04010 | Mix_B | Organic acids and derivatives | NA | NA |
RPLC_44 | cis-L-3-hydroxyproline | 131.0582 | 34.80000 | NA | NA | NA | C5H9NO3 | 132.0655 | 130.05100 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_45 | L-Ornithine hydrochloride | 132.0899 | 33.00000 | NA | NA | NA | C5H12N2O2 | 133.0972 | 131.08260 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_46 | L-Aspartic acid | 133.0375 | 33.00000 | NA | NA | NA | C4H7NO4 | 134.0448 | 132.03020 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_47 | N-methylnicotinamide | 136.0637 | 103.19193 | NA | NA | NA | C7H8N2O | 137.0709 | 135.05640 | Mix_B | Pyridines and derivatives | NA | NA |
RPLC_48 | N-Formyl-L-proline | 143.0582 | 39.60000 | NA | NA | NA | C6H9NO3 | 144.0655 | 142.05100 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_49 | L-Glutamine | 146.0691 | 33.00000 | NA | NA | NA | C5H10N2O3 | 147.0764 | 145.06190 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_50 | N-Acetyl-DL-serine | 147.0532 | 33.00000 | NA | NA | NA | C5H9NO4 | 148.0604 | 146.04590 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_51 | N-Acetyl-L-proline | 157.0739 | 59.37634 | NA | NA | NA | C7H11NO3 | 158.0812 | 156.06660 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_52 | L-Dihydroorotic acid | 158.0328 | 33.00000 | NA | NA | NA | C5H6N2O4 | 159.0400 | 157.02550 | Mix_B | Organic acids and derivatives | NA | NA |
RPLC_53 | N-Acetyl-D-Valine | 159.0895 | 76.18232 | NA | NA | NA | C7H13NO3 | 160.0968 | 158.08230 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_54 | L(-)-Carnitine | 161.1052 | 33.00000 | NA | NA | NA | C7H15NO3 | 162.1125 | 160.09790 | Mix_B | Acyl carnitines | NA | NA |
RPLC_55 | N-Acetyl-D-cysteine | 163.0303 | 33.00000 | NA | NA | NA | C5H9NO3S | 164.0376 | 162.02300 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_56 | N-alpha-acetyl-L-ornithine | 174.1004 | 33.00000 | NA | NA | NA | C7H14N2O3 | 175.1077 | 173.09320 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_57 | L(+)-Arginine hydrochloride | 174.1117 | 33.00000 | NA | NA | NA | C6H14N4O2 | 175.1190 | 173.10440 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_58 | N-epsilon-Dimethyl-L-lysine hydrochloride | 174.1368 | 33.00000 | NA | NA | NA | C8H18N2O2 | 175.1441 | 173.12950 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_59 | N-alpha-Acetyl-L-glutamine | 188.0797 | 33.00000 | NA | NA | NA | C7H12N2O4 | 189.0870 | 187.07240 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_60 | N-epsilon-acetyl-L-lysine | 188.1161 | 33.00000 | NA | NA | NA | C8H16N2O3 | 189.1234 | 187.10880 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_61 | N-epsilon-Triimethyl-L-lysine hydrochloride | 188.1525 | 33.00000 | NA | NA | NA | C9H20N2O2 | 189.1598 | 187.14520 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_62 | L-Tryptophanol | 190.1106 | 36.60000 | NA | NA | NA | C11H14N2O | 191.1179 | 189.10330 | Mix_B | Alcohols and polyols | NA | NA |
RPLC_63 | N-Phenylacetylglycine | 193.0739 | 145.80710 | NA | NA | NA | C10H11NO3 | 194.0812 | 192.06660 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_64 | O-Hydroxyhippuric acid | 195.0532 | 180.61948 | NA | NA | NA | C9H9NO4 | 196.0604 | 194.04590 | Mix_B | Organic acids and derivatives | NA | NA |
RPLC_65 | L-Tryptophanamide hydrochloride | 203.1059 | 33.00000 | NA | NA | NA | C11H13N3O | 204.1131 | 202.09860 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_66 | Mannoheptulopyranose (Mannoheptulose) | 210.074 | 274.85302 | NA | NA | NA | C7H14O7 | 211.0812 | 209.06670 | Mix_B | Carbohydrates and conjugates | NA | NA |
RPLC_67 | N-Acetyl-D-glucosamine | 221.0899 | 34.80000 | NA | NA | NA | C8H15NO6 | 222.0972 | 220.08270 | Mix_B | Carbohydrates and conjugates | NA | NA |
RPLC_68 | L-Carnosine | 226.1066 | 33.00000 | NA | NA | NA | C9H14N4O3 | 227.1139 | 225.09930 | Mix_B | Peptides | NA | NA |
RPLC_69 | Resveratrol | 228.0786 | 325.27096 | NA | NA | NA | C14H12O3 | 229.0859 | 227.07140 | Mix_B | Alcohols and polyols | NA | NA |
RPLC_70 | 5-Methyluridine | 258.0852 | 49.17270 | NA | NA | NA | C10H14N2O6 | 259.0925 | 257.07790 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_71 | 8-Hydroxyadenosine | 283.0917 | 109.79428 | NA | NA | NA | C10H13N5O5 | 284.0990 | 282.08440 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_72 | AMP (Adenosine 5'-monophosphate disodium salt) | 347.0631 | 43.20000 | NA | NA | NA | C10H14N5O7P | 348.0704 | 346.05580 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_73 | NADH (?-Nicotinamide adenine dinucleotide, reduced dipotassium salt) | 665.1248 | 181.21970 | NA | NA | NA | C21H29N7O14P2 | 666.1321 | 664.11750 | Mix_B | Pyridines and derivatives | NA | NA |
RPLC_74 | DL-Homocysteine thiolactone hydrochloride | 117.0248 | 34.80000 | NA | NA | NA | C4H7NOS | 118.0321 | 116.01760 | Mix_C | Miscellaneous | NA | NA |
RPLC_75 | L-2,4-Diaminobutyric acid dihydrochloride | 118.0742 | 33.00000 | NA | NA | NA | C4H10N2O2 | 119.0815 | 117.06690 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_76 | Isethionic acid sodium salt | 125.9987 | 33.00000 | NA | NA | NA | C2H6O4S | 127.0060 | 124.99140 | Mix_C | Alcohols and polyols | NA | NA |
RPLC_77 | Dihydrothymine | 128.0586 | 38.40000 | NA | NA | NA | C5H8N2O2 | 129.0659 | 127.05130 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_78 | Glutaconic acid | 130.0266 | 39.60000 | NA | NA | NA | C5H6O4 | 131.0339 | 129.01930 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_79 | Deamino-Histidine | 140.0586 | 34.80000 | NA | NA | NA | C6H8N2O2 | 141.0659 | 139.05130 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_80 | Ectoine ((S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid) | 142.0742 | 33.00000 | NA | NA | NA | C6H10N2O2 | 143.0815 | 141.06690 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_81 | Gamma-Guanidinobutyric acid | 145.0851 | 33.00000 | NA | NA | NA | C5H11N3O2 | 146.0924 | 144.07780 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_82 | D(+)-Ribonic acid-?-lactone | 148.0372 | 33.00000 | NA | NA | NA | C5H8O5 | 149.0445 | 147.02990 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_83 | Indole-2-carboxylic acid | 161.0477 | 265.86504 | NA | NA | NA | C9H7NO2 | 162.0550 | 160.04040 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_84 | Iberin (3-Methylsulfinylpropyl isothiocyanate) | 163.0126 | 148.81412 | NA | NA | NA | C5H9NOS2 | 164.0198 | 162.00530 | Mix_C | Miscellaneous | NA | NA |
RPLC_85 | Dihydroxyacetone phosphate dilithium salt | 169.998 | 36.60000 | NA | NA | NA | C3H7O6P | 171.0053 | 168.99070 | Mix_C | Aldehydes and cetones | NA | NA |
RPLC_86 | Gabapentin | 171.1259 | 50.47889 | NA | NA | NA | C9H17NO2 | 172.1332 | 170.11860 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_87 | Hexanoylglycine | 173.1052 | 211.16136 | NA | NA | NA | C8H15NO3 | 174.1125 | 172.09790 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_88 | Dehydroascorbic acid | 174.0164 | 33.00000 | NA | NA | NA | C6H6O6 | 175.0237 | 173.00920 | Mix_C | Carbohydrates and conjugates | NA | NA |
RPLC_89 | D(-)Mannitol | 182.079 | 33.00000 | NA | NA | NA | C6H14O6 | 183.0863 | 181.07180 | Mix_C | Carbohydrates and conjugates | NA | NA |
RPLC_90 | Indole-3-propionic acid | 189.079 | 288.55257 | NA | NA | NA | C11H11NO2 | 190.0863 | 188.07170 | Mix_C | Indoles and derivatives | NA | NA |
RPLC_91 | DL-5-Hydroxytryptopan | 220.0848 | 34.80000 | NA | NA | NA | C11H12N2O3 | 221.0921 | 219.07750 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_92 | Flavone | 222.0681 | 488.88958 | NA | NA | NA | C15H10O2 | 223.0754 | 221.06080 | Mix_C | Miscellaneous | NA | NA |
RPLC_93 | Inosine | 268.0808 | 47.64466 | NA | NA | NA | C10H12N4O5 | 269.0881 | 267.07350 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_94 | Glycitein (7,4'-Dihydroxy-6-methoxyisoflavone) | 284.0685 | 396.57801 | NA | NA | NA | C16H12O5 | 285.0758 | 283.06120 | Mix_C | Miscellaneous | NA | NA |
RPLC_95 | Hydroxy Tolbutamide | 286.0987 | 309.77928 | NA | NA | NA | C12H18N2O4S | 287.1060 | 285.09150 | Mix_C | Miscellaneous | NA | NA |
RPLC_96 | Eicosapentanoic acid | 302.2246 | 615.00000 | NA | NA | NA | C20H30O2 | 303.2319 | 301.21730 | Mix_C | Fatty acids and conjugates | NA | NA |
RPLC_97 | dCTP (2'-Deoxycytidine 5'-triphosphate disodium salt) | 466.9896 | 265.86504 | NA | NA | NA | C9H16N3O13P3 | 467.9969 | 465.98230 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_98 | Pyruvatoxime | 103.026944 | 33.00000 | NA | NA | NA | C3H5NO3 | 104.0342 | 102.01970 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_99 | Pyrrole-2-carboxylic acid | 111.032029 | 47.33252 | NA | NA | NA | C5H5NO2 | 112.0393 | 110.02470 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_100 | Succinic Acid | 118.02661 | 33.00000 | NA | NA | NA | C4H6O4 | 119.0339 | 117.01930 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_101 | Niacinamide | 122.048013 | 51.19935 | NA | NA | NA | C6H6N2O | 123.0553 | 121.04070 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_102 | Nicotinic acid | 123.032029 | 33.00000 | NA | NA | NA | C6H5NO2 | 124.0393 | 122.02470 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_103 | Urocanic acid | 138.042928 | 33.00000 | NA | NA | NA | C6H6N2O2 | 139.0502 | 137.03560 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_104 | Trans-Cinnamic acid | 148.05243 | 308.65063 | NA | NA | NA | C9H8O2 | 149.0597 | 147.04520 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_105 | Nw-Acetylhistamine | 153.090212 | 33.00000 | NA | NA | NA | C7H11N3O | 154.0975 | 152.08290 | Mix_D | Amines and polyamines | NA | NA |
RPLC_106 | p-Coumaric acid | 164.047345 | 235.75070 | NA | NA | NA | C9H8O3 | 165.0546 | 163.04010 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_107 | Pyridoxal hydrochloride | 167.058244 | 56.33479 | NA | NA | NA | C8H9NO3 | 168.0655 | 166.05100 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_108 | Norharmane | 168.068748 | 189.43951 | NA | NA | NA | C11H8N2 | 169.0760 | 167.06150 | Mix_D | Indoles and derivatives | NA | NA |
RPLC_109 | Pyridoxine hydrochloride | 169.0738932 | 33.00000 | NA | NA | NA | C8H11NO3 | 170.0812 | 168.06660 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_110 | N?-Acetyl-L-asparagine | 174.064058 | 33.00000 | NA | NA | NA | C6H10N2O4 | 175.0713 | 173.05680 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_111 | O-Phospho-L-Threonine | 199.024577 | 33.00000 | NA | NA | NA | C4H10NO6P | 200.0319 | 198.01730 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_112 | N?-Acetyl-arginine | 216.122241 | 33.00000 | NA | NA | NA | C8H16N4O3 | 217.1295 | 215.11500 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_113 | Salsolinol 1-carboxylic acid | 223.084459 | 33.00000 | NA | NA | NA | C11H13NO4 | 224.0917 | 222.07720 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_114 | Pyridoxal 5'-phosphate monohydrate | 247.024577 | 43.20000 | NA | NA | NA | C8H10NO6P | 248.0319 | 246.01730 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_115 | Pyridoxamine-5'-phosphate | 248.056211 | 33.00000 | NA | NA | NA | C8H13N2O5P | 249.0635 | 247.04890 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_116 | Oleamide | 281.271864 | 631.80000 | NA | NA | NA | C18H35NO | 282.2791 | 280.26460 | Mix_D | Lipids | NA | NA |
RPLC_117 | Orotidine | 288.059368 | 33.00000 | NA | NA | NA | C10H12N2O8 | 289.0666 | 287.05210 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_118 | Quercitin dihydrate | 302.042654 | 391.21772 | NA | NA | NA | C15H10O7 | 303.0499 | 301.03540 | Mix_D | Carbohydrates and conjugates | NA | NA |
RPLC_119 | Phytosphingosine | 317.292994 | 484.07090 | NA | NA | NA | C18H39NO3 | 318.3003 | 316.28570 | Mix_D | Fatty acids and conjugates | NA | NA |
RPLC_120 | TMP (Thymidine 5'-monophosphate disodium salt hydrate) | 322.056606 | 45.39409 | NA | NA | NA | C10H15N2O8P | 323.0639 | 321.04930 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_121 | NMN (?-Nicotinamide mononucleotide) | 334.056606 | 33.00000 | NA | NA | NA | C11H15N2O8P | 335.0639 | 333.04930 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_122 | Nicotinic acid mononucleotide | 335.040622 | 33.00000 | NA | NA | NA | C11H14NO9P | 336.0479 | 334.03330 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_123 | S-Nitroso-L-Glutathione | 336.073973 | 33.00000 | NA | NA | NA | C10H16N4O7S | 337.0813 | 335.06670 | Mix_D | Peptides | NA | NA |
RPLC_124 | Ursodeoxycholic acid | 392.29266 | 543.60000 | NA | NA | NA | C24H40O4 | 393.2999 | 391.28540 | Mix_D | Steroids and derivatives | NA | NA |
RPLC_125 | Acrylamide | 71.037114 | 33.00000 | NA | NA | NA | C3H5NO | 72.0444 | 70.02980 | Mix_E | Aldehydes and cetones | NA | NA |
RPLC_126 | Cis-Urocanic acid | 138.042928 | 33.00000 | NA | NA | NA | C6H6N2O2 | 139.0502 | 137.03560 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_127 | Allantoic acid (Diureidoacetic acid) | 176.054556 | 33.00000 | NA | NA | NA | C4H8N4O4 | 177.0618 | 175.04730 | Mix_E | Amino acids and conjugates | NA | NA |
RPLC_128 | Citric acid | 192.027005 | 36.00000 | NA | NA | NA | C6H8O7 | 193.0343 | 191.01970 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_129 | D-Pantothenic acid Calcium salt | 218.102849 | 320.98356 | NA | NA | NA | C9H16NO5 | 219.1101 | 217.09560 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_130 | Cyclo(-His-Pro) | 234.111676 | 33.00000 | NA | NA | NA | C11H14N4O2 | 235.1190 | 233.10440 | Mix_E | Peptides | NA | NA |
RPLC_131 | Coenzyme Q1 (Ubiquinone) | 250.12051 | 485.91898 | NA | NA | NA | C14H18O4 | 251.1278 | 249.11320 | Mix_E | Lipids | NA | NA |
RPLC_132 | Arbutin | 272.089605 | 36.00000 | NA | NA | NA | C12H16O7 | 273.0969 | 271.08230 | Mix_E | Carbohydrates and conjugates | NA | NA |
RPLC_133 | Biochanin A (5,7-Dihydroxy-4'-methoxyisoflavone) | 284.068475 | 472.77196 | NA | NA | NA | C16H12O5 | 285.0758 | 283.06120 | Mix_E | Miscellaneous | NA | NA |
RPLC_134 | Cinnabarinic acid (Cinnavalinic acid) | 300.038238 | 378.94999 | NA | NA | NA | C14H8N2O6 | 301.0455 | 299.03100 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_135 | All-trans 4-Keto Retinoic acid | 314.188195 | 576.60000 | NA | NA | NA | C20H26O3 | 315.1955 | 313.18090 | Mix_E | Fatty acids and conjugates | NA | NA |
RPLC_136 | cAMP (Adenosine 3',5'-cyclic monophosphate) | 329.052523 | 120.79020 | NA | NA | NA | C10H12N5O6P | 330.0598 | 328.04520 | Mix_E | Nucleosides and conjugates | NA | NA |
RPLC_137 | Carnosic acid (from Rosmarinus officinalis) | 332.19876 | 555.00000 | NA | NA | NA | C20H28O4 | 333.2060 | 331.19150 | Mix_E | Fatty acids and conjugates | NA | NA |
RPLC_138 | cGMP (Guanosine 3',5'-cyclic monophosphate sodium salt) | 345.047437 | 77.16597 | NA | NA | NA | C10H12N5O7P | 346.0547 | 344.04020 | Mix_E | Nucleosides and conjugates | NA | NA |
RPLC_139 | d-ribo Phytosphingosine 1-Phosphate | 397.259327 | 555.00000 | NA | NA | NA | C18H40NO6P | 398.2666 | 396.25200 | Mix_E | Lipids | NA | NA |
RPLC_140 | CTP (Cytidine-5'-triphosphate disodium salt dihydrate) | 519.005651 | 77.16597 | NA | NA | NA | C9H20N3O16P3 | 520.0129 | 517.99840 | Mix_E | Nucleosides and conjugates | NA | NA |
RPLC_141 | L-Threonine allo free | 119.058244 | 33.00000 | NA | NA | NA | C4H9NO3 | 120.0655 | 118.05100 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_142 | L-Hydroxyproline | 131.058244 | 33.00000 | NA | NA | NA | C5H9NO3 | 132.0655 | 130.05100 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_143 | L-Asparagine monohydrate | 132.053493 | 33.00000 | NA | NA | NA | C4H8N2O3 | 133.0608 | 131.04620 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_144 | L-(+)-Lysine Monohydrate | 146.105528 | 33.00000 | NA | NA | NA | C6H14N2O2 | 147.1128 | 145.09820 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_145 | L-Glutamic acid 5-methyl ester | 161.068808 | 33.00000 | NA | NA | NA | C6H11NO4 | 162.0761 | 160.06150 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_146 | DL-o-Tyrosine | 181.073894 | 33.00000 | NA | NA | NA | C9H11NO3 | 182.0812 | 180.06660 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_147 | L-Tyrosine | 181.073894 | 33.00000 | NA | NA | NA | C9H11NO3 | 182.0812 | 180.06660 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_148 | N-alpha-acetyl-L-lysine | 188.116093 | 33.00000 | NA | NA | NA | C8H16N2O3 | 189.1234 | 187.10880 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_149 | N-Acetyl-L-Tyrosine | 223.084459 | 127.72450 | NA | NA | NA | C11H13NO4 | 224.0917 | 222.07720 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_150 | Galactinol | 342.116215 | 34.80000 | NA | NA | NA | C12H22O11 | 343.1235 | 341.10890 | Mix_F | Carbohydrates and conjugates | NA | NA |
RPLC_151 | Vitamin K1 | 450.34978 | 679.20000 | NA | NA | NA | C31H46O2 | 451.3571 | 449.34250 | Mix_F | Lipids | NA | NA |
RPLC_152 | 1,2,3,4-Tetrahydro-6,7-isoquinolinediol hydrobromide | 165.078979 | 33.00000 | NA | NA | NA | C9H11NO2 | 166.0863 | 164.07170 | Mix_F | Miscellaneous | NA | NA |
RPLC_153 | (+)-Catechin hydrate | 290.07904 | 174.14399 | NA | NA | NA | C15H14O6 | 291.0863 | 289.07180 | Mix_F | Miscellaneous | NA | NA |
RPLC_154 | 1-Methyladenine | 149.070145 | 119.24377 | NA | NA | NA | C6H7N5 | 150.0774 | 148.06290 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_155 | N6-Methyladenine | 149.070145 | 119.24377 | NA | NA | NA | C6H7N5 | 150.0774 | 148.06290 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_156 | Xanthine | 152.033426 | 45.00000 | NA | NA | NA | C5H4N4O2 | 153.0407 | 151.02610 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_157 | 7-methylguanine | 165.06506 | 71.46982 | NA | NA | NA | C6H7N5O | 166.0723 | 164.05780 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_158 | 8-Hydroxy-2'-deoxyguanosine | 283.09167 | 127.72450 | NA | NA | NA | C10H13N5O5 | 284.0990 | 282.08440 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_159 | dGDP (2'-Deoxyguanosine-5'-monophosphate, Sodium salt hydrate) | 347.063088 | 50.68565 | NA | NA | NA | C10H14N5O7P | 348.0704 | 346.05580 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_160 | ?-Aminobutyric acid | 103.063329 | 33.00000 | NA | NA | NA | C4H9NO2 | 104.0706 | 102.05600 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_161 | 4-Imidazoleacetic acid hydrochloride | 126.042928 | 33.00000 | NA | NA | NA | C5H6N2O2 | 127.0502 | 125.03560 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_162 | L-Pyroglutamic acid | 129.042594 | 33.00000 | NA | NA | NA | C5H7NO3 | 130.0499 | 128.03530 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_163 | Dimethylmalonic acid | 132.04226 | 39.60000 | NA | NA | NA | C5H8O4 | 133.0495 | 131.03500 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_164 | 1-Methyl-4-imidazoleacetic acid | 140.058578 | 33.00000 | NA | NA | NA | C6H8N2O2 | 141.0659 | 139.05130 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_165 | 4-Guanidinobutyric acid | 145.085127 | 33.00000 | NA | NA | NA | C5H11O2N3 | 146.0924 | 144.07780 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_166 | ?-Ketoglutaric acid | 146.021525 | 33.00000 | NA | NA | NA | C5H6O5 | 147.0288 | 145.01420 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_167 | 2-Oxoglutaric acid | 146.021525 | 33.00000 | NA | NA | NA | C5H6O5 | 147.0288 | 145.01420 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_168 | L-2-Aminoadipic acid | 161.068809 | 33.00000 | NA | NA | NA | C6H11NO4 | 162.0761 | 160.06150 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_169 | 4-Pyridoxic acid | 183.053159 | 58.17477 | NA | NA | NA | C8H9NO4 | 184.0604 | 182.04590 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_170 | 2-Methylhippuric acid | 193.073894 | 149.27535 | NA | NA | NA | C10H11NO3 | 194.0812 | 192.06660 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_171 | L-Alanylglycine | 146.069143 | 33.00000 | NA | NA | NA | C5H10N2O3 | 147.0764 | 145.06190 | Mix_F | Peptides | NA | NA |
RPLC_172 | L-glycyl-L-hydroxyproline (Gly-Hyp-OH) | 188.079708 | 33.00000 | NA | NA | NA | C7H12N2O4 | 189.0870 | 187.07240 | Mix_F | Peptides | NA | NA |
RPLC_173 | glycine | NA | 33.00000 | NA | NA | NA | NA | 76.0393 | 74.02480 | Mix_MM | NA | NA | NA |
RPLC_174 | trimethylamine-N-oxide | NA | 33.00000 | NA | NA | NA | NA | 76.0762 | 74.06060 | Mix_MM | NA | NA | NA |
RPLC_175 | GABA | NA | 33.00000 | NA | NA | NA | NA | 104.0712 | 102.05550 | Mix_MM | NA | NA | NA |
RPLC_176 | aminoisobutyric acid | NA | 33.00000 | NA | NA | NA | NA | 104.0706 | 102.05610 | Mix_MM | NA | NA | NA |
RPLC_177 | dimethylglycine | NA | 33.00000 | NA | NA | NA | NA | 104.0706 | 102.05610 | Mix_MM | NA | NA | NA |
RPLC_178 | serine | NA | 34.80000 | NA | NA | NA | NA | 106.0499 | 104.03530 | Mix_MM | NA | NA | NA |
RPLC_179 | creatinine | NA | 33.00000 | NA | NA | NA | NA | 114.0667 | 112.05110 | Mix_MM | NA | NA | NA |
RPLC_180 | guanidinoacetic acid | NA | 33.00000 | NA | NA | NA | NA | 118.0611 | 116.04660 | Mix_MM | NA | NA | NA |
RPLC_181 | betaine | NA | 34.80000 | NA | NA | NA | NA | 118.0863 | 116.07170 | Mix_MM | NA | NA | NA |
RPLC_182 | valine | NA | 34.80000 | NA | NA | NA | NA | 118.0863 | 116.07170 | Mix_MM | NA | NA | NA |
RPLC_183 | homoserine | NA | 33.00000 | NA | NA | NA | NA | 120.0655 | 118.05100 | Mix_MM | NA | NA | NA |
RPLC_184 | threonine | NA | 33.00000 | NA | NA | NA | NA | 120.0655 | 118.05100 | Mix_MM | NA | NA | NA |
RPLC_185 | taurine | NA | 34.80000 | NA | NA | NA | NA | 126.0219 | 124.00740 | Mix_MM | NA | NA | NA |
RPLC_186 | valine-d8 | NA | 33.00000 | NA | NA | NA | NA | 126.1365 | 124.05020 | Mix_MM | NA | NA | NA |
RPLC_187 | 5-aminolevulinic acid | NA | 33.00000 | NA | NA | NA | NA | 132.0655 | 130.05100 | Mix_MM | NA | NA | NA |
RPLC_188 | hydroxyproline | NA | 33.00000 | NA | NA | NA | NA | 132.0655 | 130.05100 | Mix_MM | NA | NA | NA |
RPLC_189 | creatine | NA | 33.00000 | NA | NA | NA | NA | 132.0768 | 130.06220 | Mix_MM | NA | NA | NA |
RPLC_190 | aspartate | NA | 33.00000 | NA | NA | NA | NA | 134.0448 | 132.03020 | Mix_MM | NA | NA | NA |
RPLC_191 | anthranilic acid | NA | 116.00888 | NA | NA | NA | NA | 138.0550 | 136.04040 | Mix_MM | NA | NA | NA |
RPLC_192 | phosphoethanolamine | NA | 33.00000 | NA | NA | NA | NA | 142.0264 | 140.01180 | Mix_MM | NA | NA | NA |
RPLC_193 | acetylcholine | NA | 33.00000 | NA | NA | NA | NA | 146.1176 | 144.10300 | Mix_MM | NA | NA | NA |
RPLC_194 | butyrobetaine | NA | 33.00000 | NA | NA | NA | NA | 146.1176 | 144.10300 | Mix_MM | NA | NA | NA |
RPLC_195 | glutamine | NA | 39.60000 | NA | NA | NA | NA | 147.0764 | 145.06190 | Mix_MM | NA | NA | NA |
RPLC_196 | lysine | NA | 33.00000 | NA | NA | NA | NA | 147.1128 | 145.09830 | Mix_MM | NA | NA | NA |
RPLC_197 | glutamate | NA | 33.00000 | NA | NA | NA | NA | 148.0604 | 146.04590 | Mix_MM | NA | NA | NA |
RPLC_198 | allantoin | NA | 34.80000 | NA | NA | NA | NA | 159.0513 | 157.03670 | Mix_MM | NA | NA | NA |
RPLC_199 | methionine sulfoxide | NA | 33.00000 | NA | NA | NA | NA | 166.0532 | 164.03870 | Mix_MM | NA | NA | NA |
RPLC_200 | phenylalanine | NA | 33.00000 | NA | NA | NA | NA | 166.0863 | 164.07170 | Mix_MM | NA | NA | NA |
RPLC_201 | pyridoxine | NA | 33.00000 | NA | NA | NA | NA | 170.0812 | 168.06660 | Mix_MM | NA | NA | NA |
RPLC_202 | phenylalanine-d8 | NA | 33.00000 | NA | NA | NA | NA | 174.1365 | 172.12190 | Mix_MM | NA | NA | NA |
RPLC_203 | arginine | NA | 33.00000 | NA | NA | NA | NA | 175.1190 | 173.10440 | Mix_MM | NA | NA | NA |
RPLC_204 | citrulline | NA | 33.00000 | NA | NA | NA | NA | 176.1030 | 174.08840 | Mix_MM | NA | NA | NA |
RPLC_205 | cotinine | NA | 173.42627 | NA | NA | NA | NA | 177.1022 | 175.08770 | Mix_MM | NA | NA | NA |
RPLC_206 | serotonin | NA | 173.42627 | NA | NA | NA | NA | 177.1022 | 175.08770 | Mix_MM | NA | NA | NA |
RPLC_207 | tyrosine | NA | 33.00000 | NA | NA | NA | NA | 182.0812 | 180.06660 | Mix_MM | NA | NA | NA |
RPLC_208 | NMMA (Tilarginine) | NA | 33.00000 | NA | NA | NA | NA | 189.1346 | 187.12000 | Mix_MM | NA | NA | NA |
RPLC_209 | kynurenic acid | NA | 180.00535 | NA | NA | NA | NA | 190.0499 | 188.03530 | Mix_MM | NA | NA | NA |
RPLC_210 | 5-HIAA | NA | 36.60000 | NA | NA | NA | NA | 192.0655 | 190.05100 | Mix_MM | NA | NA | NA |
RPLC_211 | metanephrine | NA | 33.00000 | NA | NA | NA | NA | 198.1130 | 196.09790 | Mix_MM | NA | NA | NA |
RPLC_212 | tryptophan | NA | 48.42382 | NA | NA | NA | NA | 205.0972 | 203.08260 | Mix_MM | NA | NA | NA |
RPLC_213 | kyurenine | NA | 36.60000 | NA | NA | NA | NA | 209.0926 | 207.07700 | Mix_MM | NA | NA | NA |
RPLC_214 | 3-chlorotyrosine | NA | 38.40000 | NA | NA | NA | NA | 216.0422 | 214.02760 | Mix_MM | NA | NA | NA |
RPLC_215 | 5-hydroxytryptophan | NA | 48.42382 | NA | NA | NA | NA | 221.0921 | 219.07750 | Mix_MM | NA | NA | NA |
RPLC_216 | 3-nitrotyrosine | NA | 48.42382 | NA | NA | NA | NA | 227.0662 | 225.05170 | Mix_MM | NA | NA | NA |
RPLC_217 | 2-deoxyuridine | Nucleside | 41.40000 | NA | NA | NA | C9H12N2O5 | 229.0819 | 227.06730 | Mix_MM | NA | NA | NA |
RPLC_218 | anserine | NA | 38.40000 | NA | NA | NA | NA | 241.1295 | 239.11500 | Mix_MM | NA | NA | NA |
RPLC_219 | thymidine | NA | 87.30018 | NA | NA | NA | NA | 243.0975 | 241.08300 | Mix_MM | NA | NA | NA |
RPLC_220 | 2-deoxyadenosine | NA | 159.67002 | NA | NA | NA | NA | 252.1091 | 250.09460 | Mix_MM | NA | NA | NA |
RPLC_221 | C6 carnitine (hexanoylcarnitine) | NA | 194.95780 | NA | NA | NA | NA | 260.1856 | 258.17110 | Mix_MM | NA | NA | NA |
RPLC_222 | atenolol | NA | 75.33822 | NA | NA | NA | NA | 267.1703 | 265.15580 | Mix_MM | NA | NA | NA |
RPLC_223 | adenosine | NA | 110.62600 | NA | NA | NA | NA | 268.1040 | 266.08950 | Mix_MM | NA | NA | NA |
RPLC_224 | C7 carnitine (heptanoylcarnitine) | NA | 251.77709 | NA | NA | NA | NA | 274.2018 | 272.18620 | Mix_MM | NA | NA | NA |
RPLC_225 | xanthosine | NA | 61.58197 | NA | NA | NA | NA | 285.0830 | 283.06840 | Mix_MM | NA | NA | NA |
RPLC_226 | C8 carnitine (octanoylcarnitine) | NA | 306.80210 | NA | NA | NA | NA | 288.2169 | 286.20240 | Mix_MM | NA | NA | NA |
RPLC_227 | methylthioadenosine | NA | 246.99231 | NA | NA | NA | NA | 298.0968 | 296.08230 | Mix_MM | NA | NA | NA |
RPLC_228 | C9 carnitine (nonanoylcarnitine) | NA | 336.70699 | NA | NA | NA | NA | 302.2331 | 300.21750 | Mix_MM | NA | NA | NA |
RPLC_229 | C10 carnitine (decanoylcarnitine) | NA | 397.11487 | NA | NA | NA | NA | 316.2488 | 314.23320 | Mix_MM | NA | NA | NA |
RPLC_230 | cAMP | NA | 126.17654 | NA | NA | NA | NA | 330.0598 | 328.04520 | Mix_MM | NA | NA | NA |
RPLC_231 | C12:1 carnitine (dodecenoylcarnitine) | NA | 369.00427 | NA | NA | NA | NA | 342.2644 | 340.24880 | Mix_MM | NA | NA | NA |
RPLC_232 | C12 carnitine (dodecanoylcarnitine) | NA | 535.80000 | NA | NA | NA | NA | 344.2795 | 342.26500 | Mix_MM | NA | NA | NA |
RPLC_233 | cGMP | NA | 80.12301 | NA | NA | NA | NA | 346.0547 | 344.04020 | Mix_MM | NA | NA | NA |
RPLC_234 | C14 carnitine (myristoylcarnitine) | NA | 519.12684 | NA | NA | NA | NA | 372.3108 | 370.29630 | Mix_MM | NA | NA | NA |
RPLC_235 | 5-adenosylhomocysteine | NA | 90.29067 | NA | NA | NA | NA | 385.1289 | 383.11430 | Mix_MM | NA | NA | NA |
RPLC_236 | s-adenosylmethionine | NA | 510.75347 | NA | NA | NA | NA | 399.1445 | 397.13000 | Mix_MM | NA | NA | NA |
RPLC_237 | C16 carnitine (palmitoylcarnitine) | NA | 564.60000 | NA | NA | NA | NA | 400.3421 | 398.32760 | Mix_MM | NA | NA | NA |
RPLC_238 | lisinopril | NA | 117.80317 | NA | NA | NA | NA | 406.2336 | 404.21910 | Mix_MM | NA | NA | NA |
RPLC_239 | carvedilol | NA | 350.46324 | NA | NA | NA | NA | 407.1965 | 405.18200 | Mix_MM | NA | NA | NA |
RPLC_240 | C18:1 carnitine (oleylcarnitine) | NA | 573.00000 | NA | NA | NA | NA | 426.3583 | 424.34270 | Mix_MM | NA | NA | NA |
RPLC_241 | glipizide | NA | 470.68091 | NA | NA | NA | NA | 446.1857 | 444.17110 | Mix_MM | NA | NA | NA |
RPLC_242 | verapamil | NA | 375.58335 | NA | NA | NA | NA | 455.2904 | 453.27590 | Mix_MM | NA | NA | NA |
RPLC_243 | sildenafil | NA | 390.53580 | NA | NA | NA | NA | 475.2122 | 473.19760 | Mix_MM | NA | NA | NA |
RPLC_244 | atorvastatin | NA | 519.12684 | NA | NA | NA | NA | 559.2603 | 557.24570 | Mix_MM | NA | NA | NA |
RPLC_245 | triiodothyronine | NA | 392.33009 | NA | NA | NA | NA | 651.7973 | 649.78280 | Mix_MM | NA | NA | NA |
RPLC_246 | thyroxine | NA | 432.40265 | NA | NA | NA | NA | 777.6940 | 775.67940 | Mix_MM | NA | NA | NA |
RPLC_247 | PURINE | 120.0436 | 90.00000 | NA | NA | NA | C5H4N4 | 121.0514 | 119.03580 | Pool_1 | NA | NA | NA |
RPLC_248 | 3-METHYGLUTARIC ACID | 146.05791 | 93.09334 | NA | NA | NA | C6H10O4 | 147.0657 | 145.05010 | Pool_1 | NA | NA | NA |
RPLC_249 | D-RIBOSE | 150.05283 | 179.91823 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_1 | NA | NA | NA |
RPLC_250 | PHOSPHOCHOLINE | 183.06604 | 539.45486 | NA | NA | NA | C5H14NO4P | 184.0738 | 182.05820 | Pool_1 | NA | NA | NA |
RPLC_251 | AZELAIC ACID | 188.10486 | 312.77780 | NA | NA | NA | C9H16O4 | 189.1127 | 187.09710 | Pool_1 | NA | NA | NA |
RPLC_252 | L-KYNURENINE | 208.08479 | 58.80000 | NA | NA | NA | C10H12N2O3 | 209.0926 | 207.07700 | Pool_1 | NA | NA | NA |
RPLC_253 | DETHIOBIOTIN | 214.13174 | 288.88638 | NA | NA | NA | C10H18N2O3 | 215.1395 | 213.12390 | Pool_1 | NA | NA | NA |
RPLC_254 | N-ACETYLSEROTONIN | 218.10553 | 323.84943 | NA | NA | NA | C12H14N2O2 | 219.1133 | 217.09770 | Pool_1 | NA | NA | NA |
RPLC_255 | ALPHA-D-GLUCOSE 1-PHOSPHATE | 260.02972 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_1 | NA | NA | NA |
RPLC_256 | THIAMINE | 265.11231 | 246.34801 | NA | NA | NA | C12H17N4OS | 266.1201 | 264.10450 | Pool_1 | NA | NA | NA |
RPLC_257 | ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE | 267.09676 | 232.94551 | NA | NA | NA | C10H13N5O4 | 268.1046 | 266.08900 | Pool_1 | NA | NA | NA |
RPLC_258 | PETROSELINIC ACID | 282.25588 | 790.80000 | NA | NA | NA | C18H34O2 | 283.2637 | 281.24810 | Pool_1 | NA | NA | NA |
RPLC_259 | N-ACETYLNEURAMINATE | 309.10598 | 34.80000 | NA | NA | NA | C11H19NO9 | 310.1138 | 308.09820 | Pool_1 | NA | NA | NA |
RPLC_260 | CORTISOL | 362.20933 | 644.40000 | NA | NA | NA | C21H30O5 | 363.2171 | 361.20150 | Pool_1 | NA | NA | NA |
RPLC_261 | CHOLESTERYL ACETATE | 428.36543 | 714.60000 | NA | NA | NA | C29H48O2 | 429.3732 | 427.35760 | Pool_1 | NA | NA | NA |
RPLC_262 | DIACETYL | 86.03678 | 34.80000 | NA | NA | NA | C4H6O2 | 87.0446 | 85.02900 | Pool_2 | NA | NA | NA |
RPLC_263 | 2-METHYLPROPANOATE | 88.05243 | 391.59804 | NA | NA | NA | C4H8O2 | 89.0602 | 87.04460 | Pool_2 | NA | NA | NA |
RPLC_264 | ANILINE | 93.05785 | 59.40000 | NA | NA | NA | C6H7N | 94.0657 | 92.05010 | Pool_2 | NA | NA | NA |
RPLC_265 | PENTANOATE | 102.06808 | 391.59804 | NA | NA | NA | C5H10O2 | 103.0759 | 101.06030 | Pool_2 | NA | NA | NA |
RPLC_266 | CYTOSINE | 111.04326 | 33.60000 | NA | NA | NA | C4H5N3O | 112.0511 | 110.03550 | Pool_2 | NA | NA | NA |
RPLC_267 | MALEIC ACID | 116.01096 | 64.20000 | NA | NA | NA | C4H4O4 | 117.0188 | 115.00320 | Pool_2 | NA | NA | NA |
RPLC_268 | NICOTINATE | 123.03203 | 45.60000 | NA | NA | NA | C6H5NO2 | 124.0398 | 122.02420 | Pool_2 | NA | NA | NA |
RPLC_269 | HEPTANOIC ACID | 130.09938 | 300.35370 | NA | NA | NA | C7H14O2 | 131.1072 | 129.09160 | Pool_2 | NA | NA | NA |
RPLC_270 | 3-UREIDOPROPIONATE | 132.05349 | 34.80000 | NA | NA | NA | C4H8N2O3 | 133.0613 | 131.04570 | Pool_2 | NA | NA | NA |
RPLC_271 | PHENYL ACETATE | 136.05243 | 315.46423 | NA | NA | NA | C8H8O2 | 137.0602 | 135.04460 | Pool_2 | NA | NA | NA |
RPLC_272 | L-HISTIDINOL | 141.09021 | 830.40000 | NA | NA | NA | C6H11N3O | 142.0980 | 140.08240 | Pool_2 | NA | NA | NA |
RPLC_273 | D-XYLOSE | 150.05283 | 179.46948 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_2 | NA | NA | NA |
RPLC_274 | 2',4'-DIHYDROXYACETOPHENONE | 152.04735 | 213.75875 | NA | NA | NA | C8H8O3 | 153.0552 | 151.03960 | Pool_2 | NA | NA | NA |
RPLC_275 | (S)-NICOTINE | 162.1157 | 828.60000 | NA | NA | NA | C10H14N2 | 163.1235 | 161.10790 | Pool_2 | NA | NA | NA |
RPLC_276 | SUBERIC ACID | 174.08921 | 250.37272 | NA | NA | NA | C8H14O4 | 175.0970 | 173.08140 | Pool_2 | NA | NA | NA |
RPLC_277 | D-SORBITOL | 180.06339 | 175.40126 | NA | NA | NA | C6H12O6 | 181.0712 | 179.05560 | Pool_2 | NA | NA | NA |
RPLC_278 | 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID | 189.04259 | 210.27171 | NA | NA | NA | C10H7NO3 | 190.0504 | 188.03480 | Pool_2 | NA | NA | NA |
RPLC_279 | D-TRYPTOPHAN | 204.08988 | 97.20000 | NA | NA | NA | C11H12N2O2 | 205.0977 | 203.08210 | Pool_2 | NA | NA | NA |
RPLC_280 | MYRISTIC ACID | 228.20893 | 683.40000 | NA | NA | NA | C14H28O2 | 229.2167 | 227.20110 | Pool_2 | NA | NA | NA |
RPLC_281 | PALMITOLEIC ACID | 254.22458 | 707.40000 | NA | NA | NA | C16H30O2 | 255.2324 | 253.21680 | Pool_2 | NA | NA | NA |
RPLC_282 | ALPHA-D-GALACTOSE 1-PHOSPHATE | 260.02971 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_2 | NA | NA | NA |
RPLC_283 | ADENOSINE | 267.09676 | 94.03688 | NA | NA | NA | C10H13N5O4 | 268.1046 | 266.08900 | Pool_2 | NA | NA | NA |
RPLC_284 | INOSINE | 268.08077 | 66.00000 | NA | NA | NA | C10H12N4O5 | 269.0886 | 267.07300 | Pool_2 | NA | NA | NA |
RPLC_285 | ELAIDIC ACID | 282.25588 | 792.00000 | NA | NA | NA | C18H34O2 | 283.2637 | 281.24810 | Pool_2 | NA | NA | NA |
RPLC_286 | CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE | 305.04129 | 36.60000 | NA | NA | NA | C9H12N3O7P | 306.0491 | 304.03350 | Pool_2 | NA | NA | NA |
RPLC_287 | THYMIDINE 5'-MONOPHOSPHATE | 322.05661 | 81.83222 | NA | NA | NA | C10H15N2O8P | 323.0644 | 321.04880 | Pool_2 | NA | NA | NA |
RPLC_288 | BETA-ALANINE | 89.04768 | 43.80000 | NA | NA | NA | C3H7NO2 | 90.0555 | 88.03990 | Pool_3 | NA | NA | NA |
RPLC_289 | 4-IMIDAZOLEACETIC ACID | 126.04293 | 89.70240 | NA | NA | NA | C5H6N2O2 | 127.0507 | 125.03510 | Pool_3 | NA | NA | NA |
RPLC_290 | 5-OXO-D-PROLINE | 129.04259 | 40.20000 | NA | NA | NA | C5H7NO3 | 130.0504 | 128.03480 | Pool_3 | NA | NA | NA |
RPLC_291 | 4-METHYL-2-OXO-PENTANOIC ACID | 130.06299 | 57.60000 | NA | NA | NA | C6H10O3 | 131.0708 | 129.05520 | Pool_3 | NA | NA | NA |
RPLC_292 | CIS-4-HYDROXY-D-PROLINE | 131.05824 | 43.80000 | NA | NA | NA | C5H9NO3 | 132.0660 | 130.05040 | Pool_3 | NA | NA | NA |
RPLC_293 | MANDELIC ACID | 152.04734 | 214.39694 | NA | NA | NA | C8H8O3 | 153.0551 | 151.03950 | Pool_3 | NA | NA | NA |
RPLC_294 | PYRIDINE-2,3-DICARBOXYLATE | 167.02186 | 219.61672 | NA | NA | NA | C7H5NO4 | 168.0297 | 166.01410 | Pool_3 | NA | NA | NA |
RPLC_295 | INDOLE-3-ACETATE | 175.06333 | 324.01215 | NA | NA | NA | C10H9NO2 | 176.0711 | 174.05550 | Pool_3 | NA | NA | NA |
RPLC_296 | CAFFEATE | 180.04226 | 536.28287 | NA | NA | NA | C9H8O4 | 181.0501 | 179.03450 | Pool_3 | NA | NA | NA |
RPLC_297 | 4-PYRIDOXATE | 183.05316 | 79.80000 | NA | NA | NA | C8H9NO4 | 184.0610 | 182.04540 | Pool_3 | NA | NA | NA |
RPLC_298 | LAURIC ACID | 200.17763 | 465.52597 | NA | NA | NA | C12H24O2 | 201.1854 | 199.16980 | Pool_3 | NA | NA | NA |
RPLC_299 | D-SACCHARIC ACID | 210.03757 | 34.80000 | NA | NA | NA | C6H10O8 | 211.0454 | 209.02980 | Pool_3 | NA | NA | NA |
RPLC_300 | 3-NITRO-L-TYROSINE | 226.05897 | 84.60000 | NA | NA | NA | C9H10N2O5 | 227.0668 | 225.05120 | Pool_3 | NA | NA | NA |
RPLC_301 | LUMICHROME | 242.08038 | 330.39187 | NA | NA | NA | C12H10N4O2 | 243.0882 | 241.07260 | Pool_3 | NA | NA | NA |
RPLC_302 | 3-METHOXY-L-TYROSINE | 247.10559 | 322.27223 | NA | NA | NA | C10H17NO6 | 248.1134 | 246.09780 | Pool_3 | NA | NA | NA |
RPLC_303 | PALMITATE | 256.24023 | 761.40000 | NA | NA | NA | C16H32O2 | 257.2480 | 255.23240 | Pool_3 | NA | NA | NA |
RPLC_304 | D-FRUCTOSE 6-PHOSPHATE | 260.02972 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_3 | NA | NA | NA |
RPLC_305 | SPHINGANINE | 301.29808 | 529.90315 | NA | NA | NA | C18H39NO2 | 302.3059 | 300.29030 | Pool_3 | NA | NA | NA |
RPLC_306 | ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE | 329.05252 | 143.06006 | NA | NA | NA | C10H12N5O6P | 330.0603 | 328.04470 | Pool_3 | NA | NA | NA |
RPLC_307 | PROPENOATE | 72.02113 | 64.20000 | NA | NA | NA | C3H4O2 | 73.0289 | 71.01330 | Pool_4 | NA | NA | NA |
RPLC_308 | PHENOL | 94.04187 | 202.02118 | NA | NA | NA | C6H6O | 95.0497 | 93.03410 | Pool_4 | NA | NA | NA |
RPLC_309 | 5-OXO-L-PROLINE | 129.04259 | 40.20000 | NA | NA | NA | C5H7NO3 | 130.0504 | 128.03480 | Pool_4 | NA | NA | NA |
RPLC_310 | UROCANATE | 138.04293 | 40.20000 | NA | NA | NA | C6H6N2O2 | 139.0507 | 137.03510 | Pool_4 | NA | NA | NA |
RPLC_311 | 4-ACETAMIDOBUTANOATE | 145.07389 | 45.00000 | NA | NA | NA | C6H11NO3 | 146.0817 | 144.06610 | Pool_4 | NA | NA | NA |
RPLC_312 | PYRIDOXAL | 167.05824 | 36.60000 | NA | NA | NA | C8H9NO3 | 168.0660 | 166.05040 | Pool_4 | NA | NA | NA |
RPLC_313 | THEOBROMINE | 180.06473 | 154.74631 | NA | NA | NA | C7H8N4O2 | 181.0725 | 179.05690 | Pool_4 | NA | NA | NA |
RPLC_314 | FERULATE | 194.05791 | 50.40000 | NA | NA | NA | C10H10O4 | 195.0657 | 193.05010 | Pool_4 | NA | NA | NA |
RPLC_315 | 5-HYDROXY-L-TRYPTOPHAN | 220.08479 | 42.00000 | NA | NA | NA | C11H12N2O3 | 221.0926 | 219.07700 | Pool_4 | NA | NA | NA |
RPLC_316 | THYMIDINE | 242.09027 | 443.94013 | NA | NA | NA | C10H14N2O5 | 243.0981 | 241.08250 | Pool_4 | NA | NA | NA |
RPLC_317 | D-MANNOSE 6-PHOSPHATE | 260.02972 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_4 | NA | NA | NA |
RPLC_318 | LINOLEATE | 280.24023 | 729.60000 | NA | NA | NA | C18H32O2 | 281.2480 | 279.23240 | Pool_4 | NA | NA | NA |
RPLC_319 | RETINOATE | 300.20893 | 660.60000 | NA | NA | NA | C20H28O2 | 301.2167 | 299.20110 | Pool_4 | NA | NA | NA |
RPLC_320 | D-RIBULOSE 1,5-BISPHOSPHATE | 309.98548 | 203.18846 | NA | NA | NA | C5H12O11P2 | 310.9933 | 308.97770 | Pool_4 | NA | NA | NA |
RPLC_321 | 3',5'-CYCLIC AMP | 329.05252 | 151.24446 | NA | NA | NA | C10H12N5O6P | 330.0603 | 328.04470 | Pool_4 | NA | NA | NA |
RPLC_322 | LAUROYLCARNITINE | 343.27225 | 534.11257 | NA | NA | NA | C19H37NO4 | 344.2800 | 342.26440 | Pool_4 | NA | NA | NA |
RPLC_323 | 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE | 366.24062 | 643.20000 | NA | NA | NA | C21H34O5 | 367.2484 | 365.23280 | Pool_4 | NA | NA | NA |
RPLC_324 | BIS(2-ETHYLHEXYL)PHTHALATE | 390.27701 | 650.40000 | NA | NA | NA | C24H38O4 | 391.2848 | 389.26920 | Pool_4 | NA | NA | NA |
RPLC_325 | 4-HYDROXY-3-METHOXYPHENYLGLYCOL | 454.23152 | 542.28354 | NA | NA | NA | C22H34N2O8 | 455.2393 | 453.22370 | Pool_4 | NA | NA | NA |
RPLC_326 | PYRUVIC ALDEHYDE | 72.02113 | 66.60000 | NA | NA | NA | C3H4O2 | 73.0289 | 71.01330 | Pool_5 | NA | NA | NA |
RPLC_327 | 2-HYDROXYPYRIDINE | 95.03711 | 66.00000 | NA | NA | NA | C5H5NO | 96.0449 | 94.02930 | Pool_5 | NA | NA | NA |
RPLC_328 | INDOLE | 117.05785 | 239.69439 | NA | NA | NA | C8H7N | 118.0657 | 116.05010 | Pool_5 | NA | NA | NA |
RPLC_329 | BENZOATE | 122.03678 | 157.51453 | NA | NA | NA | C7H5O2 | 123.0446 | 121.02900 | Pool_5 | NA | NA | NA |
RPLC_330 | PICOLINIC ACID | 123.03203 | 45.00000 | NA | NA | NA | C6H5NO2 | 124.0398 | 122.02420 | Pool_5 | NA | NA | NA |
RPLC_331 | GUAIACOL | 124.05243 | 75.33466 | NA | NA | NA | C7H8O2 | 125.0602 | 123.04460 | Pool_5 | NA | NA | NA |
RPLC_332 | SALICYLATE | 138.0317 | 107.03261 | NA | NA | NA | C7H6O3 | 139.0395 | 137.02390 | Pool_5 | NA | NA | NA |
RPLC_333 | MONO-METHYL GLUTARATE | 146.05791 | 84.13965 | NA | NA | NA | C6H10O4 | 147.0657 | 145.05010 | Pool_5 | NA | NA | NA |
RPLC_334 | 3-METHYL-2-OXINDOLE | 147.06841 | 213.27944 | NA | NA | NA | C9H9NO | 148.0762 | 146.06060 | Pool_5 | NA | NA | NA |
RPLC_335 | 3-AMINO-5-HYDROXYBENZOIC ACID | 153.0426 | 48.60000 | NA | NA | NA | C7H7NO3 | 154.0504 | 152.03480 | Pool_5 | NA | NA | NA |
RPLC_336 | PHENYLPYRUVATE | 164.04735 | 67.20000 | NA | NA | NA | C9H8O3 | 165.0552 | 163.03960 | Pool_5 | NA | NA | NA |
RPLC_337 | MYO-INOSITOL | 180.06339 | 155.16653 | NA | NA | NA | C6H12O6 | 181.0712 | 179.05560 | Pool_5 | NA | NA | NA |
RPLC_338 | 3-(4-HYDROXYPHENYL)LACTATE | 182.05791 | 293.11131 | NA | NA | NA | C9H10O4 | 183.0657 | 181.05010 | Pool_5 | NA | NA | NA |
RPLC_339 | 10-HYDROXYDECANOATE | 188.14125 | 378.81317 | NA | NA | NA | C10H20O3 | 189.1491 | 187.13350 | Pool_5 | NA | NA | NA |
RPLC_340 | 5-HYDROXYINDOLEACETATE | 191.05824 | 180.99449 | NA | NA | NA | C10H9NO3 | 192.0660 | 190.05040 | Pool_5 | NA | NA | NA |
RPLC_341 | L-TRYPTOPHAN | 204.08988 | 236.17240 | NA | NA | NA | C11H12N2O2 | 205.0977 | 203.08210 | Pool_5 | NA | NA | NA |
RPLC_342 | URIDINE | 244.06954 | 406.98912 | NA | NA | NA | C9H12N2O6 | 245.0773 | 243.06170 | Pool_5 | NA | NA | NA |
RPLC_343 | BIOTIN | 244.08817 | 329.50525 | NA | NA | NA | C10H16N2O3S | 245.0960 | 243.08040 | Pool_5 | NA | NA | NA |
RPLC_344 | CHOLATE | 408.28758 | 540.23790 | NA | NA | NA | C24H40O5 | 409.2954 | 407.27980 | Pool_5 | NA | NA | NA |
RPLC_345 | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | 565.37436 | 719.40000 | NA | NA | NA | C28H56NO8P | 566.3822 | 564.36660 | Pool_5 | NA | NA | NA |
RPLC_346 | URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINE | 607.08154 | 76.20000 | NA | NA | NA | C17H27N3O17P2 | 608.0893 | 606.07370 | Pool_5 | NA | NA | NA |
RPLC_347 | SUCCINATE | 118.02661 | 38.40000 | NA | NA | NA | C4H6O4 | 119.0344 | 117.01880 | Pool_6 | NA | NA | NA |
RPLC_348 | INDOXYL SULFATE | 133.05277 | 206.70181 | NA | NA | NA | C8H7NO | 134.0606 | 132.04500 | Pool_6 | NA | NA | NA |
RPLC_349 | TRIGONELLINE | 137.04768 | 166.90316 | NA | NA | NA | C7H7NO2 | 138.0555 | 136.03990 | Pool_6 | NA | NA | NA |
RPLC_350 | TRANS-CINNAMATE | 148.05243 | 320.83028 | NA | NA | NA | C9H8O2 | 149.0602 | 147.04460 | Pool_6 | NA | NA | NA |
RPLC_351 | ARABINOSE | 150.05283 | 178.60865 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_6 | NA | NA | NA |
RPLC_352 | RESORCINOL MONOACETATE | 152.04735 | 242.40354 | NA | NA | NA | C8H8O3 | 153.0552 | 151.03960 | Pool_6 | NA | NA | NA |
RPLC_353 | XYLITOL | 152.06848 | 200.84907 | NA | NA | NA | C5H12O5 | 153.0763 | 151.06070 | Pool_6 | NA | NA | NA |
RPLC_354 | 3,4-DIHYDROXYPHENYLACETATE | 168.04226 | 93.15861 | NA | NA | NA | C8H8O4 | 169.0501 | 167.03450 | Pool_6 | NA | NA | NA |
RPLC_355 | 3-(4-HYDROXYPHENYL)PYRUVATE | 180.04226 | 539.13756 | NA | NA | NA | C9H8O4 | 181.0501 | 179.03450 | Pool_6 | NA | NA | NA |
RPLC_356 | 3,4-DIHYDROXY-L-PHENYLALANINE | 197.06881 | 220.16312 | NA | NA | NA | C9H11NO4 | 198.0766 | 196.06100 | Pool_6 | NA | NA | NA |
RPLC_357 | N6-(DELTA2-ISOPENTENYL)-ADENINE | 203.1171 | 319.07446 | NA | NA | NA | C10H13N5 | 204.1249 | 202.10930 | Pool_6 | NA | NA | NA |
RPLC_358 | OLEATE | 282.25588 | 792.60000 | NA | NA | NA | C18H34O2 | 283.2637 | 281.24810 | Pool_6 | NA | NA | NA |
RPLC_359 | STEARATE | 284.27153 | 711.60000 | NA | NA | NA | C18H36O2 | 285.2793 | 283.26370 | Pool_6 | NA | NA | NA |
RPLC_360 | RAC-GLYCEROL 1-MYRISTATE | 302.24571 | 657.60000 | NA | NA | NA | C17H34O4 | 303.2535 | 301.23790 | Pool_6 | NA | NA | NA |
RPLC_361 | 1-OLEOYL-RAC-GLYCEROL | 356.29266 | 642.00000 | NA | NA | NA | C21H40O4 | 357.3005 | 355.28490 | Pool_6 | NA | NA | NA |
RPLC_362 | SEROTONIN CREATININE SULFATE COMPLEX | 405.13182 | 245.32991 | NA | NA | NA | C14H23N5O7S | 406.1396 | 404.12400 | Pool_6 | NA | NA | NA |
RPLC_363 | URIDINE 5'-DIPHOSPHO-N-ACETYLGLUCOSAMINE | 607.08158 | 79.80000 | NA | NA | NA | C17H27N3O17P2 | 608.0894 | 606.07380 | Pool_6 | NA | NA | NA |
RPLC_364 | METHYLMALONATE | 118.02661 | 38.40000 | NA | NA | NA | C4H6O4 | 119.0344 | 117.01880 | Pool_7 | NA | NA | NA |
RPLC_365 | 4-HYDROXYBENZALDEHYDE | 122.03678 | 162.22213 | NA | NA | NA | C7H6O2 | 123.0446 | 121.02900 | Pool_7 | NA | NA | NA |
RPLC_366 | N-ACETYL-DL-SERINE | 147.05316 | 34.80000 | NA | NA | NA | C5H9NO4 | 148.0610 | 146.04540 | Pool_7 | NA | NA | NA |
RPLC_367 | D-(-)-ARABINOSE | 150.05282 | 181.44612 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_7 | NA | NA | NA |
RPLC_368 | GUANINE | 151.04941 | 203.58282 | NA | NA | NA | C5H5N5O | 152.0572 | 150.04160 | Pool_7 | NA | NA | NA |
RPLC_369 | RIBITOL | 152.06848 | 203.58282 | NA | NA | NA | C5H12O5 | 153.0763 | 151.06070 | Pool_7 | NA | NA | NA |
RPLC_370 | 3-(2-HYDROXYPHENYL)PROPANOATE | 166.063 | 462.81532 | NA | NA | NA | C9H10O3 | 167.0708 | 165.05520 | Pool_7 | NA | NA | NA |
RPLC_371 | 3-METHOXYTYRAMINE | 167.09464 | 91.80000 | NA | NA | NA | C9H13NO2 | 168.1024 | 166.08680 | Pool_7 | NA | NA | NA |
RPLC_372 | THIAMINE MONOPHOSPHATE | 344.07081 | 420.87208 | NA | NA | NA | C12H17N4O4PS | 345.0786 | 343.06300 | Pool_7 | NA | NA | NA |
RPLC_373 | CORTICOSTERONE | 346.21441 | 444.46515 | NA | NA | NA | C21H30O4 | 347.2222 | 345.20660 | Pool_7 | NA | NA | NA |
RPLC_374 | CORTISONE | 360.19368 | 391.16229 | NA | NA | NA | C21H28O5 | 361.2015 | 359.18590 | Pool_7 | NA | NA | NA |
RPLC_375 | SN-GLYCEROL 3-PHOSPHATE | 370.22328 | 307.27582 | NA | NA | NA | C15H35N2O6P | 371.2311 | 369.21550 | Pool_7 | NA | NA | NA |
RPLC_376 | 3,5-DIIODO-L-THYRONINE | 524.89341 | 329.41253 | NA | NA | NA | C15H13I2NO4 | 525.9012 | 523.88560 | Pool_7 | NA | NA | NA |
RPLC_377 | Indolepyruvate | 203.057675 | 293.05228 | NA | HMDB60484 | C00331 | NA | 204.0655 | 202.04985 | iPOP | Amino Acid | Tryptophan Metabolism | pRPLC |
RPLC_378 | Phenylalanylleucine | 278.162675 | 190.37233 | NA | NA | NA | NA | 279.1705 | 277.15485 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_379 | 4-formyl Indole(1) | 145.052175 | 220.62010 | NA | NA | NA | NA | 146.0600 | 144.04435 | iPOP | Amino Acid | Tryptophan Metabolism | pRPLC |
RPLC_380 | 4-formyl Indole(2) | 145.052175 | 184.31799 | NA | NA | NA | NA | 146.0600 | 144.04435 | iPOP | Amino Acid | Tryptophan Metabolism | pRPLC |
RPLC_381 | Thyroxine | 776.686675 | 437.22852 | 51-48-9 | HMDB01918 | C01829 | NA | 777.6945 | 775.67885 | iPOP | Amino Acid | Tyrosine Metabolism | pRPLC |
RPLC_382 | Retinol (Vitamin A) | 268.218575 | 624.00000 | NA | HMDB00305 | C00473 | NA | 269.2264 | 267.21075 | iPOP | Cofactors and Vitamins | Vitamin A Metabolism | pRPLC |
RPLC_383 | C5:1 AC | 243.146575 | 105.46671 | NA | HMDB02366 | NA | NA | 244.1544 | 242.13875 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_384 | C10:0 AC | 315.240575 | 401.27048 | 1492-27-9 | HMDB00651 | NA | NA | 316.2484 | 314.23275 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_385 | C10:1 AC | 313.224975 | 371.26164 | NA | HMDB13205 | NA | NA | 314.2328 | 312.21715 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_386 | C10:2 AC | 311.209275 | 329.18236 | NA | HMDB13325 | NA | NA | 312.2171 | 310.20145 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_387 | C10:3 AC(1) | 309.193575 | 311.12449 | NA | NA | NA | NA | 310.2014 | 308.18575 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_388 | C10:3 AC(2) | 309.193675 | 299.07794 | NA | NA | NA | NA | 310.2015 | 308.18585 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_389 | C11:0 AC | 329.255875 | 431.23950 | NA | NA | NA | NA | 330.2637 | 328.24805 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_390 | C12:0 AC | 343.271775 | 473.12922 | 25518-54-1 | HMDB02250 | NA | NA | 344.2796 | 342.26395 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_391 | C12:1 AC | 341.256075 | 437.22852 | NA | HMDB13326 | NA | NA | 342.2639 | 340.24825 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_392 | C14:1 AC | 369.287375 | 497.03117 | 835598-21-5 | HMDB02014 | NA | NA | 370.2952 | 368.27955 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_393 | C14:2 AC | 367.271675 | 467.14975 | NA | HMDB13331 | NA | NA | 368.2795 | 366.26385 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_394 | C16 Sphingosine 1-phosphate | 351.216975 | 514.94090 | NA | HMDB60061 | NA | NA | 352.2248 | 350.20915 | iPOP | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_395 | C16:1 AC | 397.318775 | 534.00000 | NA | NA | NA | NA | 398.3266 | 396.31095 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_396 | C18 Sphingosine 1-phosphate | 379.248275 | 564.00000 | 26993-30-6 | HMDB00277 | C06124 | NA | 380.2561 | 378.24045 | iPOP | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_397 | C18:1 AC | 425.349775 | 570.00000 | 38677-66-6 | HMDB05065 | NA | NA | 426.3576 | 424.34195 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_398 | C18:2 AC | 423.334275 | 552.00000 | NA | HMDB06461 | NA | NA | 424.3421 | 422.32645 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_399 | C4:0 AC | 231.146475 | 56.80904 | 25576-40-3 | HMDB02013 | C02862 | NA | 232.1543 | 230.13865 | iPOP | Lipid | Fatty Acid Metabolism (also BCAA Metabolism) | pRPLC |
RPLC_400 | C5:0 AC | 245.162175 | 117.61520 | NA | NA | NA | NA | 246.1700 | 244.15435 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_401 | C5:0,DC AC | 289.152275 | 36.00000 | NA | NA | NA | NA | 290.1601 | 288.14445 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_402 | C6:0 AC | 259.177975 | 202.47621 | 6418-78-6 | HMDB00705 | NA | NA | 260.1858 | 258.17015 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_403 | C8:0 AC | 287.209375 | 311.12449 | 25243-95-2 | HMDB00791 | C02838 | NA | 288.2172 | 286.20155 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_404 | C8:1 AC | 285.193675 | 262.90008 | NA | HMDB13324 | NA | NA | 286.2015 | 284.18585 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_405 | C9:0 AC | 301.224975 | 341.21297 | NA | NA | NA | NA | 302.2328 | 300.21715 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_406 | L-Carnitine | 161.104475 | 36.00000 | 541-15-1 | HMDB00062 | C00318 | NA | 162.1123 | 160.09665 | iPOP | Lipid | Carnitine Metabolism | pRPLC |
RPLC_407 | LysoPC(14:0) | 467.300675 | 558.00000 | NA | HMDB10379 | C04230 | NA | 468.3085 | 466.29285 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_408 | LysoPC(15:0) | 481.316175 | 582.00000 | NA | HMDB10381 | C04230 | NA | 482.3240 | 480.30835 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_409 | LysoPC(16:0) | 495.331675 | 600.00000 | NA | HMDB10382 | C04230 | NA | 496.3395 | 494.32385 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_410 | LysoPC(16:1) | 493.316175 | 570.00000 | NA | HMDB10383 | C04230 | NA | 494.3240 | 492.30835 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_411 | LysoPC(17:0) | 509.347575 | 618.00000 | NA | HMDB12108 | C04230 | NA | 510.3554 | 508.33975 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_412 | LysoPC(18:0) | 523.362975 | 636.00000 | 5655-17-4 | HMDB10384 | C04230 | NA | 524.3708 | 522.35515 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_413 | LysoPC(18:2) | 519.331775 | 588.00000 | NA | HMDB10386 | C04230 | NA | 520.3396 | 518.32395 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_414 | LysoPC(20:0) | 551.394175 | 666.00000 | NA | HMDB10390 | C04230 | NA | 552.4020 | 550.38635 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_415 | LysoPC(20:1) | 549.378575 | 642.00000 | NA | HMDB10391 | C04230 | NA | 550.3864 | 548.37075 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_416 | LysoPC(20:2) | 547.363075 | 624.00000 | NA | HMDB10392 | C04230 | NA | 548.3709 | 546.35525 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_417 | LysoPC(20:3) | 545.346675 | 606.00000 | NA | HMDB10393 | C04230 | NA | 546.3545 | 544.33885 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_418 | LysoPC(20:4) | 543.331375 | 588.00000 | NA | HMDB10395 | C04230 | NA | 544.3392 | 542.32355 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_419 | LysoPC(22:0) | 579.426875 | 708.00000 | NA | HMDB10398 | C04230 | NA | 580.4347 | 578.41905 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_420 | LysoPC(22:4) | 571.362975 | 618.00000 | NA | HMDB10401 | C04230 | NA | 572.3708 | 570.35515 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_421 | LysoPC(22:6) | 567.331175 | 588.00000 | NA | HMDB10404 | C04230 | NA | 568.3390 | 566.32335 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_422 | LysoPC(O-18:0) | 509.383475 | 654.00000 | NA | HMDB11149 | C04317 | NA | 510.3913 | 508.37565 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_423 | LysoPC(P-16:0) | 479.336775 | 618.00000 | NA | HMDB10407 | C04230 | NA | 480.3446 | 478.32895 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_424 | LysoPC(P-18:0) | 507.368175 | 630.00000 | NA | HMDB13122 | C04230 | NA | 508.3760 | 506.36035 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_425 | LysoPC(P-18:1) | 505.352275 | 624.00000 | NA | HMDB10408 | C04230 | NA | 506.3601 | 504.34445 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_426 | LysoPE(16:0) | 453.284875 | 594.00000 | NA | HMDB11473 | NA | NA | 454.2927 | 452.27705 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_427 | LysoPE(18:0) | 481.315975 | 630.00000 | NA | HMDB11129 | NA | NA | 482.3238 | 480.30815 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_428 | LysoPE(18:2) | 477.284875 | 582.00000 | NA | HMDB11477 | NA | NA | 478.2927 | 476.27705 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_429 | LysoPE(20:1) | 507.331875 | 594.00000 | NA | HMDB11482 | NA | NA | 508.3397 | 506.32405 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_430 | LysoPE(20:3) | 503.300375 | 600.00000 | NA | HMDB11484 | NA | NA | 504.3082 | 502.29255 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_431 | LysoPE(20:4) | 501.284875 | 582.00000 | NA | HMDB11487 | NA | NA | 502.2927 | 500.27705 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_432 | LysoPE(22:0) | 537.378475 | 648.00000 | NA | HMDB11490 | NA | NA | 538.3863 | 536.37065 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_433 | LysoPE(22:6) | 525.284575 | 588.00000 | NA | HMDB11496 | NA | NA | 526.2924 | 524.27675 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_434 | LysoPE(P-16:0) | 437.289775 | 612.00000 | NA | HMDB11152 | NA | NA | 438.2976 | 436.28195 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_435 | 7-Methylguanine | 165.064575 | 75.06761 | 578-76-7 | HMDB00897 | C02242 | NA | 166.0724 | 164.05675 | iPOP | Nucleotide | Purine Metabolism, Guanine containing | pRPLC |
RPLC_436 | gamma-glutamylleucine(1) | 260.136775 | 62.89682 | NA | HMDB11171 | NA | NA | 261.1446 | 259.12895 | iPOP | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_437 | gamma-glutamylleucine(2) | 260.136775 | 53.90338 | NA | HMDB11171 | NA | NA | 261.1446 | 259.12895 | iPOP | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_438 | Phenylalanyl-Tryptophan | 351.157875 | 226.66488 | NA | HMDB29006 | NA | NA | 352.1657 | 350.15005 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_439 | Caffeine | 194.079675 | 280.99618 | 58-08-2 | HMDB01847 | C07481 | NA | 195.0875 | 193.07185 | iPOP | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_440 | Hippuric acid | 179.057575 | 123.68705 | 495-69-2 | HMDB00714 | C01586 | NA | 180.0654 | 178.04975 | iPOP | Xenobiotics | Benzoate Metabolism | pRPLC |
RPLC_441 | Piperine(1) | 285.136075 | 514.94090 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1439 | 284.12825 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_442 | Piperine(2) | 285.136075 | 508.97258 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1439 | 284.12825 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_443 | Theophylline | 180.064075 | 208.52577 | NA | HMDB0001889 | NA | NA | 181.0719 | 179.05625 | iPOP | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_444 | N1-Methyl-2-pyridone-5-carboxamide(1) | 152.057975 | 75.06761 | NA | HMDB04193 | C05842 | NA | 153.0658 | 151.05015 | iPOP | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_445 | N1-Methyl-2-pyridone-5-carboxamide(2) | 152.057975 | 105.46671 | NA | HMDB04193 | C05842 | NA | 153.0658 | 151.05015 | iPOP | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_446 | MG(18:0) | 358.307575 | 660.00000 | NA | HMDB11131 | NA | NA | 359.3154 | 357.29975 | iPOP | Lipid | Monoacylglycerol | pRPLC |
RPLC_447 | Oleoyl Ethyl Amide | 309.302575 | 666.00000 | NA | NA | NA | NA | 310.3104 | 308.29475 | iPOP | Lipid | Long Chain Fatty Acid | pRPLC |
RPLC_448 | Sphinganine 1-phosphate | 381.264075 | 576.00000 | 19794-97-9 | HMDB01383 | C01120 | NA | 382.2719 | 380.25625 | iPOP | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_449 | N2,N2-Dimethylguanosine | 311.122675 | 172.20455 | 2140-67-2 | HMDB04824 | NA | NA | 312.1305 | 310.11485 | iPOP | Nucleotide | Purine Metabolism, Guanine containing | pRPLC |
RPLC_450 | Alpha-N-Phenylacetyl-L-glutamine | 264.110575 | 160.08473 | NA | HMDB06344 | C04148 | NA | 265.1184 | 263.10275 | iPOP | Peptide | Acetylated Peptides | pRPLC |
RPLC_451 | Cyclo(ala-pro) | 168.089275 | 99.39007 | NA | NA | NA | NA | 169.0971 | 167.08145 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_452 | gamma-glutamylphenylalanine | 294.121375 | 81.15062 | NA | HMDB00594 | NA | NA | 295.1292 | 293.11355 | iPOP | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_453 | Phenylalanylphenylalanine | 312.146975 | 214.57373 | 2577-40-4 | HMDB13302 | NA | NA | 313.1548 | 311.13915 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_454 | 2-Piperidinone | 99.067775 | 75.06761 | NA | HMDB11749 | NA | NA | 100.0756 | 98.05995 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_455 | Dihydroferulic acid | 276.030575 | 311.12449 | NA | NA | NA | NA | 277.0384 | 275.02275 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_456 | Paraxanthine | 180.063975 | 190.37233 | 611-59-6 | HMDB01860 | C13747 | NA | 181.0718 | 179.05615 | iPOP | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_457 | PS(28:2) | 675.409175 | 642.00000 | NA | HMDB12342 | NA | NA | 676.4170 | 674.40135 | iPOP | Lipid | NA | pRPLC |
RPLC_458 | PS(30:1) | 705.456975 | 672.00000 | NA | NA | NA | NA | 706.4648 | 704.44915 | iPOP | Lipid | NA | pRPLC |
RPLC_459 | PS(30:2) | 703.439375 | 654.00000 | NA | NA | NA | NA | 704.4472 | 702.43155 | iPOP | Lipid | NA | pRPLC |
RPLC_460 | PS(32:3) | 729.458475 | 678.00000 | NA | NA | NA | NA | 730.4663 | 728.45065 | iPOP | Lipid | NA | pRPLC |
RPLC_461 | SM(d18:1/12:0) | 646.503775 | 702.00000 | NA | HMDB12096 | C00550 | NA | 647.5116 | 645.49595 | iPOP | Lipid | NA | pRPLC |
RPLC_462 | SM(d18:1/14:0) | 674.535075 | 756.00000 | NA | HMDB12097 | NA | NA | 675.5429 | 673.52725 | iPOP | Lipid | NA | pRPLC |
RPLC_463 | Kynurenic acid | 189.043025 | 190.37233 | 492-27-3 | HMDB00715 | C01717 | NA | 190.0508 | 188.03520 | iPOP | Amino Acid | Tryptophan Metabolism | nRPLC |
RPLC_464 | 25-hydroxyvitamin D3 | 400.334625 | 666.00000 | NA | NA | NA | NA | 401.3424 | 399.32680 | iPOP | Cofactors and Vitamins | Vitamin D Metabolism | nRPLC |
RPLC_465 | (S)-(-)-2-Hydroxyisocaproic acid | 132.079225 | 99.39007 | NA | HMDB0000746 | NA | NA | 133.0871 | 131.07140 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_466 | 3-Methyl-2-oxovaleric acid | 130.063625 | 62.89682 | NA | HMDB03736 | C00671 | NA | 131.0714 | 129.05580 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_467 | N-Acetylleucine|N-Acetylisoleucine | 173.105825 | 172.20455 | NA | HMDB11756|HMDB61684 | |C02710 | NA | 174.1137 | 172.09800 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_468 | N-Acetyl-L-phenylalanine | 207.089925 | 208.52577 | 2018-61-3 | HMDB00512 | C03519 | NA | 208.0977 | 206.08210 | iPOP | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_469 | Pyridoxic acid | 183.053625 | 62.89682 | 82-82-6 | HMDB00017 | C00847 | NA | 184.0615 | 182.04580 | iPOP | Cofactors and Vitamins | Vitamin B6 Metabolism | nRPLC |
RPLC_470 | 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 240.100225 | 431.23950 | NA | HMDB61112 | NA | NA | 241.1080 | 239.09240 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_471 | 9-HODE | 296.235725 | 576.00000 | NA | HMDB04702 | C14826 | NA | 297.2436 | 295.22790 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_472 | C10:0,DC FA (Sebacic acid)(1) | 202.121125 | 383.26995 | 111-20-6 | HMDB00792 | C08277 | NA | 203.1290 | 201.11330 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_473 | C10:0,DC FA (Sebacic acid)(2) | 202.121125 | 359.24695 | 111-20-6 | HMDB00792 | C08277 | NA | 203.1290 | 201.11330 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_474 | C10:0,OH FA(1) | 188.141725 | 431.23950 | NA | HMDB02203 | NA | NA | 189.1496 | 187.13390 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_475 | C10:0,OH FA(2) | 188.141825 | 455.18604 | NA | HMDB02203 | NA | NA | 189.1497 | 187.13400 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_476 | C10:1 FA(1) | 170.131225 | 485.08338 | NA | NA | NA | NA | 171.1390 | 169.12340 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_477 | C10:1 FA(2) | 170.131125 | 497.03117 | NA | NA | NA | NA | 171.1389 | 169.12330 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_478 | C10:1,DC FA | 200.105425 | 341.21297 | 72879-22-2 | HMDB00603 | NA | NA | 201.1132 | 199.09760 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_479 | C10:1,OH FA | 186.126125 | 413.26286 | NA | NA | NA | NA | 187.1339 | 185.11830 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_480 | C10:2 FA | 168.115525 | 437.22852 | NA | NA | NA | NA | 169.1233 | 167.10770 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_481 | C10:3 FA(1) | 166.099825 | 425.24888 | NA | NA | NA | NA | 167.1077 | 165.09200 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_482 | C10:3 FA(2) | 166.099825 | 437.22852 | NA | NA | NA | NA | 167.1077 | 165.09200 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_483 | C11:0,DC FA | 216.136625 | 413.26286 | 1852-04-6 | HMDB00888 | NA | NA | 217.1445 | 215.12880 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_484 | C13:0,DC FA(1) | 244.167925 | 503.00267 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_485 | C13:0,DC FA(2) | 244.167925 | 479.10710 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_486 | C13:0,DC FA(3) | 244.167925 | 497.03117 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_487 | C13:0,DC FA(4) | 244.167925 | 485.08338 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_488 | C11:1 FA | 184.146825 | 514.94090 | NA | HMDB33724 | C13910 | NA | 185.1547 | 183.13900 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_489 | C12:0 FA(1) | 200.178225 | 570.00000 | NA | NA | NA | NA | 201.1860 | 199.17040 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_490 | C12:0 FA(2) | 200.178125 | 467.14975 | NA | NA | NA | NA | 201.1859 | 199.17030 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_491 | C12:0,DC FA | 230.152325 | 449.20179 | NA | HMDB00623 | C02678 | NA | 231.1601 | 229.14450 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_492 | C12:0,OH FA(1) | 216.173125 | 508.97258 | NA | HMDB00387 | NA | NA | 217.1809 | 215.16530 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_493 | C12:0,OH FA(2) | 216.173025 | 491.05807 | NA | HMDB00387 | NA | NA | 217.1808 | 215.16520 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_494 | C12:1 FA(1) | 198.162525 | 546.00000 | NA | HMDB00529 | NA | NA | 199.1704 | 197.15470 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_495 | C12:1 FA(2) | 198.162525 | 540.00000 | NA | HMDB00529 | NA | NA | 199.1704 | 197.15470 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_496 | C12:1, OH FA | 214.157625 | 473.12922 | NA | NA | NA | NA | 215.1654 | 213.14980 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_497 | C12:1,DC FA(1) | 228.136725 | 443.21595 | NA | NA | NA | NA | 229.1446 | 227.12890 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_498 | C12:1,DC FA(2) | 228.136725 | 419.25667 | NA | NA | NA | NA | 229.1446 | 227.12890 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_499 | C12:1,DC FA(3) | 228.136625 | 431.23950 | NA | NA | NA | NA | 229.1445 | 227.12880 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_500 | C12:1,DC FA(4) | 228.136725 | 467.14975 | NA | NA | NA | NA | 229.1446 | 227.12890 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_501 | C12:1,OH FA | 214.157525 | 491.05807 | NA | NA | NA | NA | 215.1653 | 213.14970 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_502 | C12:2,OH FA | 196.146825 | 520.90762 | NA | NA | NA | NA | 197.1547 | 195.13900 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_503 | C13:1,OH FA | 212.178225 | 564.00000 | NA | NA | NA | NA | 213.1860 | 211.17040 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_504 | C14:0 FA | 228.209525 | 612.00000 | 544-63-8 | HMDB00806 | C06424 | NA | 229.2174 | 227.20170 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_505 | C14:0,DC FA(1) | 258.183825 | 514.94090 | NA | HMDB00872 | NA | NA | 259.1916 | 257.17600 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_506 | C14:0,DC FA(2) | 258.183725 | 529.35833 | NA | HMDB00872 | NA | NA | 259.1916 | 257.17590 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_507 | C14:0,OH FA(1) | 244.204325 | 558.00000 | NA | NA | NA | NA | 245.2122 | 243.19650 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_508 | C14:0,OH FA(2) | 244.204225 | 576.00000 | NA | NA | NA | NA | 245.2121 | 243.19640 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_509 | C14:1 FA(1) | 226.193825 | 588.00000 | NA | HMDB02000 | C08322 | NA | 227.2017 | 225.18600 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_510 | C14:1 FA(2) | 226.193825 | 600.00000 | NA | HMDB02000 | C08322 | NA | 227.2017 | 225.18600 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_511 | C14:1,OH FA(1) | 242.188825 | 540.00000 | NA | NA | NA | NA | 243.1967 | 241.18100 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_512 | C14:1,OH FA(2) | 242.188725 | 529.35833 | NA | NA | NA | NA | 243.1966 | 241.18090 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_513 | C14:2 FA | 224.178225 | 564.00000 | NA | NA | NA | NA | 225.1860 | 223.17040 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_514 | C14:2,OH FA | 240.173125 | 514.94090 | NA | NA | NA | NA | 241.1809 | 239.16530 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_515 | C15:0 FA | 242.225225 | 630.00000 | NA | NA | NA | NA | 243.2330 | 241.21740 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_516 | C15:0,OH FA | 258.220025 | 594.00000 | NA | NA | NA | NA | 259.2278 | 257.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_517 | C15:1 FA | 240.209425 | 606.00000 | NA | NA | NA | NA | 241.2173 | 239.20160 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_518 | C16:0,2OH FA | 288.230525 | 612.00000 | NA | NA | NA | NA | 289.2384 | 287.22270 | iPOP | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_519 | C16:0,DC FA(1) | 286.215025 | 576.00000 | NA | HMDB00672 | C19615 | NA | 287.2228 | 285.20720 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_520 | C16:0,DC FA(2) | 286.214925 | 552.00000 | NA | HMDB00672 | C19615 | NA | 287.2228 | 285.20710 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_521 | C16:0,OH FA(1) | 272.235825 | 618.00000 | NA | HMDB31057 | NA | NA | 273.2437 | 271.22800 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_522 | C16:0,OH FA(2) | 272.235725 | 576.00000 | NA | HMDB31057 | NA | NA | 273.2436 | 271.22790 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_523 | C16:1 FA | 254.225025 | 618.00000 | 373-49-9 | HMDB03229 | C08362 | NA | 255.2329 | 253.21720 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_524 | C16:1,OH FA(1) | 270.220025 | 576.00000 | NA | NA | NA | NA | 271.2278 | 269.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_525 | C16:1,OH FA(2) | 270.220025 | 558.00000 | NA | NA | NA | NA | 271.2278 | 269.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_526 | C16:2 FA | 252.209425 | 600.00000 | NA | NA | NA | NA | 253.2173 | 251.20160 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_527 | C16:2,OH FA | 268.204425 | 552.00000 | NA | NA | NA | NA | 269.2122 | 267.19660 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_528 | C16:3 FA | 250.193725 | 588.00000 | NA | NA | NA | NA | 251.2015 | 249.18590 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_529 | C16:4 FA | 248.178125 | 564.00000 | NA | NA | NA | NA | 249.1859 | 247.17030 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_530 | C17:0 FA(1) | 270.256525 | 660.00000 | NA | NA | NA | NA | 271.2643 | 269.24870 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_531 | C17:0 FA(2) | 266.224925 | 618.00000 | NA | NA | NA | NA | 267.2328 | 265.21710 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_532 | C17:1 FA | 268.240825 | 636.00000 | NA | HMDB60038 | NA | NA | 269.2486 | 267.23300 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_533 | C18:0,DC FA(1) | 314.246325 | 618.00000 | NA | HMDB00782 | NA | NA | 315.2541 | 313.23850 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_534 | C18:0,DC FA(2) | 314.246425 | 546.00000 | NA | HMDB00782 | NA | NA | 315.2543 | 313.23860 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_535 | C18:0,DC FA(3) | 314.246325 | 594.00000 | NA | HMDB00782 | NA | NA | 315.2541 | 313.23850 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_536 | C18:0,OH FA(1) | 300.266925 | 612.00000 | NA | NA | C03045 | NA | 301.2747 | 299.25910 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_537 | C18:0,OH FA(2) | 300.266925 | 636.00000 | NA | NA | C03045 | NA | 301.2747 | 299.25910 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_538 | C18:1,3OH FA | 330.241425 | 479.10710 | NA | NA | NA | NA | 331.2493 | 329.23360 | iPOP | Lipid | Fatty Acid, Trihydroxy | nRPLC |
RPLC_539 | C18:1,DC FA | 312.230825 | 588.00000 | NA | NA | NA | NA | 313.2387 | 311.22300 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_540 | C18:1,OH FA(1) | 298.251325 | 612.00000 | NA | NA | NA | NA | 299.2591 | 297.24350 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_541 | C18:1,OH FA(2) | 298.251425 | 600.00000 | NA | NA | NA | NA | 299.2593 | 297.24360 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_542 | C18:2,DC FA | 310.215125 | 564.00000 | NA | NA | NA | NA | 311.2230 | 309.20730 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_543 | C18:2,OH FA | 296.235625 | 594.00000 | NA | NA | NA | NA | 297.2434 | 295.22780 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_544 | C18:3,OH FA(1) | 294.220025 | 594.00000 | NA | NA | NA | NA | 295.2278 | 293.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_545 | C18:3,OH FA(2) | 294.220125 | 576.00000 | NA | NA | NA | NA | 295.2280 | 293.21230 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_546 | C18:3,OH FA(3) | 294.220025 | 564.00000 | NA | NA | NA | NA | 295.2278 | 293.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_547 | C18:4 FA | 276.209525 | 600.00000 | NA | HMDB06547 | C16300 | NA | 277.2174 | 275.20170 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_548 | C19:0 FA(1) | 298.287725 | 702.00000 | NA | HMDB00772 | C16535 | NA | 299.2955 | 297.27990 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_549 | C19:0 FA(2) | 298.287525 | 672.00000 | NA | HMDB00772 | C16535 | NA | 299.2953 | 297.27970 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_550 | C19:1 FA | 296.272025 | 666.00000 | NA | HMDB13622 | NA | NA | 297.2799 | 295.26420 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_551 | C20:0 FA | 312.303525 | 684.00000 | NA | HMDB02212 | C06425 | NA | 313.3114 | 311.29570 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_552 | C20:0,2OH FA | 344.293125 | 588.00000 | 120727-26-6 | HMDB31923 | NA | NA | 345.3010 | 343.28530 | iPOP | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_553 | C20:1 FA | 310.287925 | 684.00000 | 5561-99-9 | HMDB02231 | C16526 | NA | 311.2957 | 309.28010 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_554 | C20:2 FA | 308.272225 | 660.00000 | 5598-38-9 | HMDB05060 | C16525 | NA | 309.2801 | 307.26440 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_555 | C20:2,OH FA | 324.267025 | 624.00000 | NA | NA | NA | NA | 325.2749 | 323.25920 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_556 | C20:3 FA | 306.256425 | 642.00000 | 1783-84-2 | HMDB02925 | C03242 | NA | 307.2643 | 305.24860 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_557 | C20:3,OH FA(1) | 322.251325 | 606.00000 | NA | NA | NA | NA | 323.2591 | 321.24350 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_558 | C20:3,OH FA(2) | 322.251325 | 594.00000 | NA | NA | NA | NA | 323.2591 | 321.24350 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_559 | C20:4,DC FA | 334.215125 | 461.16869 | NA | NA | NA | NA | 335.2230 | 333.20730 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_560 | C20:4,OH FA(1) | 320.235625 | 600.00000 | NA | NA | NA | NA | 321.2434 | 319.22780 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_561 | C20:4,OH FA(2) | 320.235625 | 588.00000 | NA | NA | NA | NA | 321.2434 | 319.22780 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_562 | C20:5 FA | 302.225125 | 618.00000 | 10417-94-4 | HMDB01999 | C06428 | NA | 303.2330 | 301.21730 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_563 | C22:2 FA | 336.303525 | 702.00000 | NA | HMDB61714 | NA | NA | 337.3114 | 335.29570 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_564 | C22:3 FA | 334.287725 | 672.00000 | 28845-86-5 | HMDB02823 | NA | NA | 335.2955 | 333.27990 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_565 | C22:4 FA | 332.272225 | 654.00000 | NA | HMDB02226 | C16527 | NA | 333.2801 | 331.26440 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_566 | C22:5 FA | 330.256525 | 642.00000 | 24880-45-3 | HMDB06528 | C16513 | NA | 331.2643 | 329.24870 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_567 | C24:4 FA | 360.303525 | 690.00000 | NA | HMDB06246 | NA | NA | 361.3114 | 359.29570 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_568 | C24:5 FA | 358.287925 | 672.00000 | NA | HMDB06322 | NA | NA | 359.2957 | 357.28010 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_569 | C24:6 FA | 356.272125 | 654.00000 | 81247-23-6 | HMDB02007 | NA | NA | 357.2799 | 355.26430 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_570 | C25:0,OH FA | 398.376425 | 690.00000 | NA | NA | NA | NA | 399.3843 | 397.36860 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_571 | C8:0,OH FA(1) | 160.110425 | 311.12449 | NA | NA | NA | NA | 161.1182 | 159.10260 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_572 | C8:0,OH FA(2) | 160.110525 | 335.19846 | NA | NA | NA | NA | 161.1183 | 159.10270 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_573 | C8:0,OH FA(3) | 160.110425 | 232.70806 | NA | NA | NA | NA | 161.1182 | 159.10260 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_574 | C8:2,OH FA(1) | 156.079125 | 220.62010 | NA | NA | NA | NA | 157.0870 | 155.07130 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_575 | C8:2,OH FA(2) | 156.079125 | 299.07794 | NA | NA | NA | NA | 157.0870 | 155.07130 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_576 | C9:0,DC FA (Azelaic acid) | 188.105425 | 329.18236 | NA | HMDB00784 | C08261 | NA | 189.1132 | 187.09760 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_577 | C9:1,OH FA | 172.110525 | 341.21297 | NA | NA | NA | NA | 173.1183 | 171.10270 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_578 | LysoPE(16:1) | 451.270225 | 570.00000 | NA | HMDB11474 | NA | NA | 452.2781 | 450.26240 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_579 | LysoPE(18:1) | 479.301725 | 606.00000 | NA | HMDB11475 | NA | NA | 480.3096 | 478.29390 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_580 | LysoPE(20:0) | 509.348225 | 636.00000 | NA | HMDB11481 | NA | NA | 510.3560 | 508.34040 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_581 | LysoPE(22:4) | 529.316825 | 612.00000 | NA | HMDB11493 | NA | NA | 530.3247 | 528.30900 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_582 | LysoPE(22:5) | 527.301725 | 594.00000 | NA | HMDB11494 | NA | NA | 528.3095 | 526.29390 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_583 | LysoPI(18:1) | 598.312625 | 714.00000 | NA | HMDB61693 | NA | NA | 599.3205 | 597.30480 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_584 | LysoPI(20:4) | 620.296625 | 678.00000 | NA | HMDB61690 | NA | NA | 621.3044 | 619.28880 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_585 | 1-Methylxanthine | 166.049625 | 117.61520 | NA | HMDB10738 | C16358 | NA | 167.0574 | 165.04180 | iPOP | Xenobiotics | Xanthine Metabolism | nRPLC |
RPLC_586 | Dihydro-3-coumaric acid | 166.063525 | 196.42507 | NA | NA | C11457 | NA | 167.0713 | 165.05570 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_587 | 2-Hydroxyphenylacetate | 152.047825 | 141.89306 | NA | HMDB00669 | C05852 | NA | 153.0557 | 151.04000 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_588 | Gentisic acid | 154.027125 | 129.75731 | 490-79-9 | HMDB00152 | C00628 | NA | 155.0350 | 153.01930 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_589 | L-?-Hydroxyisovaleric acid | 118.063525 | 36.00000 | NA | HMDB00407 | NA | NA | 119.0713 | 117.05570 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_590 | p-Cresol glucuronide | 284.090025 | 147.95854 | NA | HMDB11686 | NA | NA | 285.0978 | 283.08220 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_591 | p-Cresol sulfate | 188.014825 | 141.89306 | NA | HMDB0011635 | NA | NA | 189.0226 | 187.00700 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_592 | Phenol sulphate | 173.999225 | 56.80904 | NA | HMDB60015 | C00850 | NA | 175.0070 | 172.99140 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_593 | Phenyllactate (PLA) | 166.063425 | 141.89306 | NA | HMDB00779 | C05607 | NA | 167.0712 | 165.05560 | iPOP | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_594 | Dihydroxyvitamin D3(1) | 416.329525 | 684.00000 | NA | HMDB00430 | NA | NA | 417.3374 | 415.32170 | iPOP | Cofactors and Vitamins | Vitamin D Metabolism | nRPLC |
RPLC_595 | Dihydroxyvitamin D3(2) | 416.329525 | 654.00000 | NA | HMDB00430 | NA | NA | 417.3374 | 415.32170 | iPOP | Cofactors and Vitamins | Vitamin D Metabolism | nRPLC |
RPLC_596 | gamma-CEHC | 264.136725 | 413.26286 | NA | HMDB01931 | NA | NA | 265.1445 | 263.12890 | iPOP | Cofactors and Vitamins | Tocopherol Metabolism | nRPLC |
RPLC_597 | 16a-hydroxy DHEA 3-sulfate | 384.161325 | 461.16869 | NA | NA | NA | NA | 385.1692 | 383.15350 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_598 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate(1) | 372.195925 | 570.00000 | NA | NA | NA | NA | 373.2038 | 371.18810 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_599 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate(2) | 372.196825 | 582.00000 | NA | NA | NA | NA | 373.2047 | 371.18900 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_600 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate(3) | 372.196525 | 546.00000 | NA | NA | NA | NA | 373.2043 | 371.18870 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_601 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(1) | 468.271425 | 508.97258 | NA | NA | NA | NA | 469.2792 | 467.26360 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_602 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(2) | 468.272725 | 529.35833 | NA | NA | NA | NA | 469.2806 | 467.26490 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_603 | 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) | 430.308625 | 618.00000 | NA | HMDB12458 | C17337 | NA | 431.3164 | 429.30080 | iPOP | Lipid | Sterol | nRPLC |
RPLC_604 | Androsterone glucuronide(1) | 466.256725 | 520.90762 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2645 | 465.24890 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_605 | Androsterone glucuronide(2) | 466.256825 | 503.00267 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2647 | 465.24900 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_606 | Androsterone sulfate(1) | 370.181925 | 570.00000 | 2479-86-9 | HMDB02759 | NA | NA | 371.1898 | 369.17410 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_607 | Androsterone sulfate(2) | 370.180725 | 534.00000 | 2479-86-9 | HMDB02759 | NA | NA | 371.1886 | 369.17290 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_608 | Chenodeoxycholic acid glycine conjugate(1) | 449.314725 | 564.00000 | 640-79-9 | HMDB00637 | C05466 | NA | 450.3225 | 448.30690 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_609 | Chenodeoxycholic acid glycine conjugate(2) | 449.314525 | 520.90762 | 640-79-9 | HMDB00637 | C05466 | NA | 450.3223 | 448.30670 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_610 | Chenodeoxycholic Acid(1) | 392.293425 | 588.00000 | NA | HMDB0000518 | NA | NA | 393.3012 | 391.28560 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_611 | Chenodeoxycholic Acid(2) | 392.293425 | 570.00000 | NA | HMDB0000518 | NA | NA | 393.3012 | 391.28560 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_612 | Chenodeoxycholic Acid(3) | 392.293425 | 552.00000 | NA | HMDB0000518 | NA | NA | 393.3012 | 391.28560 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_613 | Cholic Acid | 408.288225 | 552.00000 | NA | HMDB0000619 | NA | NA | 409.2960 | 407.28040 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_614 | Dehydroisoandrosterone sulfate (DHEA-S)(1) | 368.166325 | 534.00000 | NA | HMDB01032 | C04555 | NA | 369.1741 | 367.15850 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_615 | Dehydroisoandrosterone sulfate (DHEA-S)(2) | 368.166025 | 526.87275 | NA | HMDB01032 | C04555 | NA | 369.1739 | 367.15820 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_616 | Glycocholic acid | 465.309325 | 529.35833 | 475-31-0 | HMDB00138 | C01921 | NA | 466.3172 | 464.30150 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_617 | LysoPG(18:0) | 512.311725 | 618.00000 | NA | NA | NA | NA | 513.3196 | 511.30390 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_618 | MG(14:1)(1) | 300.230625 | 576.00000 | NA | HMDB11531 | NA | NA | 301.2385 | 299.22280 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_619 | MG(14:1)(2) | 300.230625 | 558.00000 | NA | HMDB11531 | NA | NA | 301.2385 | 299.22280 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_620 | MG(14:1)(3) | 300.230525 | 594.00000 | NA | HMDB11531 | NA | NA | 301.2384 | 299.22270 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_621 | MG(15:0)(1) | 316.261925 | 564.00000 | NA | HMDB11532 | NA | NA | 317.2697 | 315.25410 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_622 | MG(15:0)(2) | 316.261925 | 552.00000 | NA | HMDB11532 | NA | NA | 317.2697 | 315.25410 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_623 | MG(15:0)(3) | 316.261725 | 582.00000 | NA | HMDB11532 | NA | NA | 317.2695 | 315.25390 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_624 | MG(16:1) | 328.261625 | 630.00000 | NA | HMDB11534 | NA | NA | 329.2695 | 327.25380 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_625 | MG(18:1) | 356.293025 | 660.00000 | NA | HMDB11536 | NA | NA | 357.3009 | 355.28520 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_626 | MG(18:3) | 352.261825 | 618.00000 | NA | HMDB11539 | NA | NA | 353.2697 | 351.25400 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_627 | MG(20:0) | 386.339825 | 648.00000 | NA | HMDB11542 | NA | NA | 387.3476 | 385.33200 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_628 | MG(20:4)(1) | 378.277425 | 630.00000 | 53847-30-6 | HMDB04666 | NA | NA | 379.2853 | 377.26960 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_629 | MG(20:4)(2) | 378.277625 | 552.00000 | 53847-30-6 | HMDB04666 | NA | NA | 379.2855 | 377.26980 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_630 | MG(20:5) | 376.261825 | 612.00000 | NA | HMDB11550 | NA | NA | 377.2697 | 375.25400 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_631 | MG(22:2) | 410.340025 | 672.00000 | NA | HMDB11553 | NA | NA | 411.3478 | 409.33220 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_632 | MG(24:0)(1) | 442.402525 | 678.00000 | NA | HMDB11558 | NA | NA | 443.4103 | 441.39470 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_633 | MG(24:0)(2) | 442.402825 | 672.00000 | NA | HMDB11558 | NA | NA | 443.4106 | 441.39500 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_634 | MG(24:1) | 440.387025 | 666.00000 | NA | HMDB11559 | NA | NA | 441.3949 | 439.37920 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_635 | Palmitoylglycine | 313.262425 | 624.00000 | 158305-64-7 | HMDB13034 | NA | NA | 314.2702 | 312.25460 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Glycine) | nRPLC |
RPLC_636 | Pregnanediol-3-glucuronide | 496.304025 | 546.00000 | NA | HMDB10318 | C03033 | NA | 497.3118 | 495.29620 | iPOP | Lipid | Progestin Steroids | nRPLC |
RPLC_637 | Pregnanolone sulfate | 398.213225 | 576.00000 | NA | NA | NA | NA | 399.2210 | 397.20540 | iPOP | Lipid | Progestin Steroids | nRPLC |
RPLC_638 | Pregnenolone sulfate | 396.197525 | 600.00000 | 1247-64-9 | HMDB00774 | NA | NA | 397.2054 | 395.18970 | iPOP | Lipid | Progestin Steroids | nRPLC |
RPLC_639 | Sulfolithocholic acid | 456.255025 | 660.00000 | 34669-57-3 | HMDB00907 | NA | NA | 457.2629 | 455.24720 | iPOP | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_640 | Sulfolithocholylglycine | 513.276125 | 648.00000 | 15324-64-8 | HMDB02639 | C11301 | NA | 514.2840 | 512.26830 | iPOP | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_641 | Taurocholic acid(1) | 515.291625 | 576.00000 | 81-24-3 | HMDB00036 | C05122 | NA | 516.2994 | 514.28380 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_642 | Taurocholic acid(2) | 515.293125 | 529.35833 | 81-24-3 | HMDB00036 | C05122 | NA | 516.3009 | 514.28530 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_643 | Tauroursodeoxycholic acid | 499.297025 | 618.00000 | 14605-22-2 | HMDB00874 | NA | NA | 500.3048 | 498.28920 | iPOP | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_644 | Tetrahydroaldosterone-3-glucuronide(1) | 540.257225 | 425.24888 | 20605-81-6 | HMDB10357 | NA | NA | 541.2650 | 539.24940 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_645 | Tetrahydroaldosterone-3-glucuronide(2) | 540.256725 | 529.35833 | 20605-81-6 | HMDB10357 | NA | NA | 541.2645 | 539.24890 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_646 | Tetrahydrocortisol | 366.241125 | 582.00000 | 53-02-1 | HMDB00949 | C05472 | NA | 367.2489 | 365.23330 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_647 | N6-Carbamoyl-L-threonyladenosine | 412.134825 | 220.62010 | NA | HMDB41623 | NA | NA | 413.1427 | 411.12700 | iPOP | Nucleotide | Purine Metabolism, Adenine containing | nRPLC |
RPLC_648 | gamma-glutamylhistidine | 284.116625 | 576.00000 | NA | NA | NA | NA | 285.1245 | 283.10880 | iPOP | Peptide | Gamma-glutamyl Amino Acid | nRPLC |
RPLC_649 | 3-Phenylpropionate (hydrocinnamate) | 150.068525 | 280.99618 | NA | HMDB00764 | C05629 | NA | 151.0763 | 149.06070 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_650 | 4-Methylcatechol sulfate | 204.009825 | 117.61520 | NA | NA | NA | NA | 205.0177 | 203.00200 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_651 | Cinnamoylglycine | 205.074425 | 262.90008 | 16534-24-0 | HMDB11621 | NA | NA | 206.0822 | 204.06660 | iPOP | Xenobiotics | Food Component/Plant | nRPLC |
RPLC_652 | eugenol sulfate | 244.040925 | 329.18236 | NA | NA | NA | NA | 245.0488 | 243.03310 | iPOP | Xenobiotics | Food Component/Plant | nRPLC |
RPLC_653 | methyl-4-hydroxybenzoate sulfate | 232.004625 | 250.82805 | NA | NA | NA | NA | 233.0125 | 230.99680 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_654 | Phenylbutyric acid | 164.084325 | 449.20179 | 90-27-7 | HMDB00329 | NA | NA | 165.0922 | 163.07650 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_655 | Thyroxine | 776.682675 | 426.00000 | 51-48-9 | HMDB01918 | C01829 | NA | 777.6905 | 775.67485 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | pRPLC |
RPLC_656 | Nicotinamide | 122.047275 | 54.00000 | 0 | HMDB01406 | C00153 | NA | 123.0551 | 121.03945 | iPOP_Exercise | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_657 | N1-Methyl-2-pyridone-5-carboxamide | 152.057875 | 66.00000 | NA | HMDB04193 | C05842 | NA | 153.0657 | 151.05005 | iPOP_Exercise | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_658 | Retinol (Vitamin A) | 268.217975 | 618.00000 | NA | HMDB00305 | C00473 | NA | 269.2258 | 267.21015 | iPOP_Exercise | Cofactors and Vitamins | Vitamin A Metabolism | pRPLC |
RPLC_659 | Biliverdin | 582.245675 | 642.00000 | 114-25-0 | HMDB01008 | C00500 | NA | 583.2535 | 581.23785 | iPOP_Exercise | Cofactors and Vitamins | Hemoglobin and Porphyrin Metabolism | pRPLC |
RPLC_660 | C5:0 AC (2-methylbutyrylcarnitine|isovalerylcarnitine) | 245.161475 | 108.00000 | 31023-25-3 | HMDB00378 | NA | NA | 246.1693 | 244.15365 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_661 | C6:0 AC (Hexanoylcarnitine) | 259.177075 | 192.00000 | 6418-78-6 | HMDB00705 | NA | NA | 260.1849 | 258.16925 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_662 | C8:1 AC (Octenoylcarnitine) | 285.192575 | 252.00000 | NA | HMDB13324 | NA | NA | 286.2004 | 284.18475 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_663 | C8:0 AC (L-Octanoylcarnitine) | 287.208275 | 306.00000 | 25243-95-2 | HMDB00791 | C02838 | NA | 288.2161 | 286.20045 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_664 | C9:0 AC (Nonanoylcarnitine) | 301.223875 | 330.00000 | NA | HMDB13288 | NA | NA | 302.2317 | 300.21605 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_665 | Sphinganine | 301.296575 | 504.00000 | 764-22-7 | HMDB00269 | C00836 | NA | 302.3044 | 300.28875 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_666 | C10:3 AC (Decatrenoylcarnitine) | 309.192475 | 300.00000 | NA | NA | NA | NA | 310.2003 | 308.18465 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_667 | Oleoyl Ethyl Amide | 309.301775 | 654.00000 | NA | NA | NA | NA | 310.3096 | 308.29395 | iPOP_Exercise | Lipid | Fatty Acid, Amide | pRPLC |
RPLC_668 | C10:2 AC (Decadienoylcarnitine) | 311.208075 | 324.00000 | NA | HMDB13325 | NA | NA | 312.2159 | 310.20025 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_669 | C10:1 AC (Decenoylcarnitine) | 313.223775 | 354.00000 | NA | HMDB13205 | NA | NA | 314.2316 | 312.21595 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_670 | C10:0 AC (Decanoylcarnitine) | 315.239475 | 396.00000 | 1492-27-9 | HMDB00651 | NA | NA | 316.2473 | 314.23165 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_671 | Allopregnanolone | 318.254375 | 654.00000 | 516-54-1 | HMDB01449 | C13712 | NA | 319.2622 | 317.24655 | iPOP_Exercise | Lipid | Progestin Steroids | pRPLC |
RPLC_672 | C11:0 AC (Undecanoylcarnitine) | 329.255075 | 420.00000 | NA | HMDB13321 | NA | NA | 330.2629 | 328.24725 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_673 | C10:0,OH AC (Hydroxydecanoyl carnitine) | 331.234175 | 318.00000 | NA | HMDB61636 | 0 | NA | 332.2420 | 330.22635 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_674 | C12:1 AC (Dodecenoylcarnitine) | 341.254975 | 426.00000 | NA | HMDB13326 | NA | NA | 342.2628 | 340.24715 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_675 | C12:0 AC (Dodecanoylcarnitine) | 343.270575 | 462.00000 | 25518-54-1 | HMDB02250 | NA | NA | 344.2784 | 342.26275 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_676 | Deoxycortisol | 346.212775 | 408.00000 | 0 | HMDB04030 | C05497 | NA | 347.2206 | 345.20495 | iPOP_Exercise | Lipid | Corticosteroids | pRPLC |
RPLC_677 | C16 Sphingosine 1-phosphate | 351.215875 | 504.00000 | NA | HMDB60061 | NA | NA | 352.2237 | 350.20805 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_678 | Hydroxy-cholenoic acid | 356.269975 | 576.00000 | NA | HMDB00308 | NA | NA | 357.2778 | 355.26215 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | pRPLC |
RPLC_679 | Cortisol | 362.207675 | 414.00000 | 50-23-7 | HMDB00063 | C00735 | NA | 363.2155 | 361.19985 | iPOP_Exercise | Lipid | Corticosteroids | pRPLC |
RPLC_680 | Tetrahydrocortisone | 364.223075 | 408.00000 | 53-05-4 | HMDB00903 | NA | NA | 365.2309 | 363.21525 | iPOP_Exercise | Lipid | Corticosteroids | pRPLC |
RPLC_681 | C14:2 AC (Tetradecadiencarnitine) | 367.270475 | 456.00000 | NA | HMDB13331 | NA | NA | 368.2783 | 366.26265 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_682 | C14:1 AC (Tetradecenoylcarnitine) | 369.286175 | 486.00000 | 835598-21-5 | HMDB02014 | NA | NA | 370.2940 | 368.27835 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_683 | C18 Sphingosine 1-phosphate | 379.247075 | 552.00000 | 26993-30-6 | HMDB00277 | C06124 | NA | 380.2549 | 378.23925 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_684 | Sphinganine 1-phosphate | 381.262975 | 564.00000 | 19794-97-9 | HMDB01383 | C01120 | NA | 382.2708 | 380.25515 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_685 | C14:1,OH AC (Hydroxy-tetradecenoylcarnitine) | 385.281075 | 444.00000 | NA | HMDB13330 | 0 | NA | 386.2889 | 384.27325 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_686 | C14:0,OH AC (Hydroxymyristoylcarnitine) | 387.296675 | 474.00000 | 0 | HMDB13166 | 0 | NA | 388.3045 | 386.28885 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_687 | C16:2 AC (Hexadecadienoylcarnitine) | 395.301875 | 498.00000 | NA | HMDB13334 | 0 | NA | 396.3097 | 394.29405 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_688 | C16:1 AC (Hexadecenoyl carnitine) | 397.317475 | 528.00000 | NA | HMDB06317 | NA | NA | 398.3253 | 396.30965 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_689 | C16:0 AC (L-Palmitoylcarnitine) | 399.333075 | 558.00000 | 0 | NA | NA | NA | 400.3409 | 398.32525 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_690 | C18:2 AC (Linoleyl carnitine) | 423.333075 | 546.00000 | NA | HMDB06461 | NA | NA | 424.3409 | 422.32525 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_691 | C18:1 AC (Oleoylcarnitine) | 425.348875 | 570.00000 | 38677-66-6 | HMDB05065 | NA | NA | 426.3567 | 424.34105 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_692 | C18:0 AC (Stearoylcarnitine) | 427.364175 | 594.00000 | 1976-27-8 | HMDB00848 | 0 | NA | 428.3720 | 426.35635 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_693 | LysoPE(P-16:0) | 437.288975 | 600.00000 | NA | HMDB11152 | NA | NA | 438.2968 | 436.28115 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_694 | LysoPE(16:1) | 451.268175 | 558.00000 | NA | HMDB11474 | NA | NA | 452.2760 | 450.26035 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_695 | LysoPE(16:0) | 453.284175 | 588.00000 | NA | HMDB11473 | NA | NA | 454.2920 | 452.27635 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_696 | 6-Dehydrotestosterone glucuronide | 462.223675 | 522.00000 | NA | HMDB10337 | C03033 | NA | 463.2315 | 461.21585 | iPOP_Exercise | Lipid | Androgenic Steroids | pRPLC |
RPLC_697 | LysoPC(14:0) | 467.299475 | 552.00000 | NA | HMDB10379 | C04230 | NA | 468.3073 | 466.29165 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_698 | LysoPE(18:3) | 475.267575 | 558.00000 | NA | HMDB11478 | NA | NA | 476.2754 | 474.25975 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_699 | LysoPE(18:2) | 477.283975 | 576.00000 | NA | HMDB11477 | NA | NA | 478.2918 | 476.27615 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_700 | LysoPE(18:1) | 479.299975 | 594.00000 | NA | HMDB11475 | NA | NA | 480.3078 | 478.29215 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_701 | LysoPC(P-16:0) | 479.335975 | 606.00000 | NA | HMDB10407 | C04230 | NA | 480.3438 | 478.32815 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_702 | LysoPE(18:0) | 481.315175 | 618.00000 | NA | HMDB11129 | NA | NA | 482.3230 | 480.30735 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_703 | LysoPC(15:0) | 481.315275 | 576.00000 | NA | HMDB10381 | C04230 | NA | 482.3231 | 480.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_704 | LysoPC(16:1) | 493.315275 | 564.00000 | NA | HMDB10383 | C04230 | NA | 494.3231 | 492.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_705 | LysoPC(16:0) | 495.330875 | 594.00000 | NA | HMDB10382 | C04230 | NA | 496.3387 | 494.32305 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_706 | LysoPE(20:5) | 499.268075 | 558.00000 | NA | HMDB11489 | NA | NA | 500.2759 | 498.26025 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_707 | LysoPE(20:4) | 501.284075 | 576.00000 | NA | HMDB11487 | NA | NA | 502.2919 | 500.27625 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_708 | LysoPE(20:3) | 503.299675 | 588.00000 | NA | HMDB11484 | NA | NA | 504.3075 | 502.29185 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_709 | LysoPC(P-18:0) | 507.367275 | 618.00000 | NA | HMDB13122 | C04230 | NA | 508.3751 | 506.35945 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_710 | LysoPC(17:0) | 509.346975 | 612.00000 | NA | HMDB12108 | C04230 | NA | 510.3548 | 508.33915 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_711 | LysoPC(O-18:0) | 509.382975 | 648.00000 | NA | HMDB11149 | C04317 | NA | 510.3908 | 508.37515 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_712 | LysoPC(18:3) | 517.315275 | 564.00000 | NA | HMDB10387 | C04230 | NA | 518.3231 | 516.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_713 | LysoPC(18:2) | 519.331075 | 582.00000 | NA | HMDB10386 | C04230 | NA | 520.3389 | 518.32325 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_714 | LysoPC(18:1) | 521.346775 | 606.00000 | 3542-29-8 | HMDB02815 | C04230 | NA | 522.3546 | 520.33895 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_715 | LysoPC(18:0) | 523.362575 | 630.00000 | 5655-17-4 | HMDB10384 | C04230 | NA | 524.3704 | 522.35475 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_716 | LysoPE(22:6) | 525.283675 | 576.00000 | NA | HMDB11496 | NA | NA | 526.2915 | 524.27585 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_717 | LysoPE(22:0) | 537.377875 | 642.00000 | NA | HMDB11490 | NA | NA | 538.3857 | 536.37005 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_718 | LysoPC(20:5) | 541.315275 | 564.00000 | NA | HMDB10397 | C04230 | NA | 542.3231 | 540.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_719 | LysoPC(20:4) | 543.331175 | 582.00000 | NA | HMDB10395 | C04230 | NA | 544.3390 | 542.32335 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_720 | LysoPC(20:3) | 545.346775 | 594.00000 | NA | HMDB10393 | C04230 | NA | 546.3546 | 544.33895 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_721 | LysoPC(20:2) | 547.362475 | 618.00000 | NA | HMDB10392 | C04230 | NA | 548.3703 | 546.35465 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_722 | LysoPC(20:1) | 549.377675 | 636.00000 | NA | HMDB10391 | C04230 | NA | 550.3855 | 548.36985 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_723 | LysoPC(20:0) | 551.393775 | 660.00000 | NA | HMDB10390 | C04230 | NA | 552.4016 | 550.38595 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_724 | LysoPC(22:6) | 567.330075 | 582.00000 | NA | HMDB10404 | C04230 | NA | 568.3379 | 566.32225 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_725 | LysoPC(22:5) | 569.345975 | 594.00000 | NA | HMDB10402 | C04230 | NA | 570.3538 | 568.33815 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_726 | 7-Methylguanine | 165.064375 | 66.00000 | 578-76-7 | HMDB00897 | C02242 | NA | 166.0722 | 164.05655 | iPOP_Exercise | Nucleotide | Purine Metabolism, Guanine containing | pRPLC |
RPLC_727 | gamma-glutamylphenylalanine | 294.119975 | 66.00000 | NA | HMDB00594 | NA | NA | 295.1278 | 293.11215 | iPOP_Exercise | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_728 | 2-Piperidinone | 99.067775 | 60.00000 | NA | HMDB11749 | NA | NA | 100.0756 | 98.05995 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_729 | Amino-Hydroxy-benzoic acid | 153.041875 | 90.00000 | 0 | HMDB01476 | C00632 | NA | 154.0497 | 152.03405 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | pRPLC |
RPLC_730 | S-Allylcysteine | 161.050375 | 30.00000 | 21593-77-1 | HMDB34323 | C16759 | NA | 162.0582 | 160.04255 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_731 | Theobromine | 180.063775 | 180.00000 | 83-67-0 | HMDB02825 | C07480 | NA | 181.0716 | 179.05595 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_732 | Theophylline | 180.063775 | 192.00000 | 611-59-6 | HMDB01889 | C07130 | NA | 181.0716 | 179.05595 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_733 | Caffeine | 194.079375 | 264.00000 | 58-08-2 | HMDB01847 | C07481 | NA | 195.0872 | 193.07155 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_734 | Dihydroferulic acid 4-sulfate | 276.029575 | 294.00000 | NA | HMDB41724 | NA | NA | 277.0374 | 275.02175 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_735 | Piperine(1) | 285.135175 | 492.00000 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1430 | 284.12735 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_736 | Piperine(2) | 285.135175 | 504.00000 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1430 | 284.12735 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_737 | L-a-Hydroxyisovaleric acid | 118.063625 | 42.00000 | NA | HMDB00407 | NA | NA | 119.0714 | 117.05580 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_738 | 4-methyl-2-oxopentanoate|3-Methyl-2-oxovaleric acid | 130.063625 | 48.00000 | NA | HMDB00695|HMDB03736 | C00233|C00671 | NA | 131.0714 | 129.05580 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_739 | (S)-(-)-2-Hydroxyisocaproic acid | 132.079225 | 84.00000 | NA | HMDB0000746 | NA | NA | 133.0871 | 131.07140 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_740 | Phenyllactate (PLA) | 166.063425 | 126.00000 | NA | HMDB00779 | C05607 | NA | 167.0712 | 165.05560 | iPOP_Exercise | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_741 | N-Acetylleucine|N-Acetylisoleucine | 173.105825 | 156.00000 | NA | HMDB11756|HMDB61684 | |C02710 | NA | 174.1137 | 172.09800 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_742 | Phenol sulphate | 173.999025 | 48.00000 | NA | HMDB60015 | C00850 | NA | 175.0068 | 172.99120 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_743 | p-Cresol sulfate | 188.014625 | 114.00000 | NA | HMDB0011635 | NA | NA | 189.0224 | 187.00680 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_744 | Kynurenic acid | 189.042925 | 168.00000 | 492-27-3 | HMDB00715 | C01717 | NA | 190.0507 | 188.03510 | iPOP_Exercise | Amino Acid | Tryptophan Metabolism | nRPLC |
RPLC_745 | N-Acetyl-L-phenylalanine | 207.089825 | 192.00000 | 2018-61-3 | HMDB00512 | C03519 | NA | 208.0976 | 206.08200 | iPOP_Exercise | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_746 | p-Cresol glucuronide | 284.089325 | 126.00000 | NA | HMDB11686 | NA | NA | 285.0971 | 283.08150 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_747 | Pyridoxic acid | 183.053625 | 54.00000 | 82-82-6 | HMDB00017 | C00847 | NA | 184.0615 | 182.04580 | iPOP_Exercise | Cofactors and Vitamins | Vitamin B6 Metabolism | nRPLC |
RPLC_748 | gamma-CEHC | 264.136125 | 396.00000 | NA | HMDB01931 | NA | NA | 265.1440 | 263.12830 | iPOP_Exercise | Cofactors and Vitamins | Tocopherol Metabolism | nRPLC |
RPLC_749 | C8:2,OH FA (Hydroxy-octadienoic acid) | 156.079225 | 198.00000 | NA | HMDB31101 | NA | NA | 157.0871 | 155.07140 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_750 | C8:1,OH FA (Hydroxy-octenoic acid) | 158.094725 | 282.00000 | 0 | 0 | 0 | NA | 159.1026 | 157.08690 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_751 | C8:0,OH FA(1) (Hydroxyoctanoic acid) | 160.110425 | 294.00000 | NA | HMDB00486 | NA | NA | 161.1182 | 159.10260 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_752 | C8:0,OH FA(2) (Hydroxyoctanoic acid) | 160.110425 | 318.00000 | NA | HMDB00486 | NA | NA | 161.1182 | 159.10260 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_753 | C10:3 FA (Decatrienoic acid) | 166.099825 | 420.00000 | NA | NA | NA | NA | 167.1077 | 165.09200 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_754 | C10:2 FA (Decadienoic acid) | 168.115525 | 420.00000 | NA | NA | NA | NA | 169.1233 | 167.10770 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_755 | C10:1 FA (Decenoic acid) | 170.131225 | 468.00000 | 57602-94-5 | HMDB04980 | NA | NA | 171.1390 | 169.12340 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_756 | C9:1,OH FA (Hydroxy-nonenoic acid) | 172.110525 | 330.00000 | NA | NA | NA | NA | 173.1183 | 171.10270 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_757 | C10:2,OH FA (Hydroxy-decadienoic acid) | 184.110325 | 342.00000 | NA | NA | NA | NA | 185.1182 | 183.10250 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_758 | C11:1 FA (Undecenoic acid) | 184.146725 | 498.00000 | NA | HMDB33724 | C13910 | NA | 185.1546 | 183.13890 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_759 | C10:1,OH FA (Hydroxy-decenoic acid) | 186.126025 | 396.00000 | NA | HMDB39533 | NA | NA | 187.1338 | 185.11820 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_760 | C9:0,DC FA (Azelaic acid) | 188.105325 | 312.00000 | NA | HMDB00784 | C08261 | NA | 189.1131 | 187.09750 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_761 | C10:0,OH FA(1) (Hydroxycapric acid) | 188.141625 | 420.00000 | NA | HMDB02203 | NA | NA | 189.1495 | 187.13380 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_762 | C10:0,OH FA(2) (Hydroxycapric acid) | 188.141625 | 438.00000 | NA | HMDB02203 | NA | NA | 189.1495 | 187.13380 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_763 | C12:2 FA (Dodecadienoic acid) | 196.146625 | 510.00000 | NA | NA | NA | NA | 197.1544 | 195.13880 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_764 | C12:1 FA(1) (Dodecenoic acid) | 198.162425 | 528.00000 | NA | HMDB00529 | NA | NA | 199.1703 | 197.15460 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_765 | C12:1 FA(2) (Dodecenoic acid) | 198.162425 | 540.00000 | NA | HMDB00529 | NA | NA | 199.1703 | 197.15460 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_766 | C10:1,DC FA (Decenedicarboxylic acid) | 200.105325 | 324.00000 | 72879-22-2 | HMDB00603 | NA | NA | 201.1131 | 199.09750 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_767 | C12:0 FA (Dodecanoic acid) | 200.178025 | 558.00000 | 143-07-7 | HMDB00638 | C02679 | NA | 201.1858 | 199.17020 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_768 | C10:0,DC FA (Sebacic acid) | 202.120925 | 372.00000 | 111-20-6 | HMDB00792 | C08277 | NA | 203.1287 | 201.11310 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_769 | C12:3,OH FA(1) (Hydroxy-dodecatrienoic acid) | 210.126025 | 378.00000 | NA | NA | NA | NA | 211.1338 | 209.11820 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_770 | C12:3,OH FA(2) (Hydroxy-dodecatrienoic acid) | 210.126025 | 480.00000 | NA | NA | NA | NA | 211.1338 | 209.11820 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_771 | C12:2,OH FA (Hydro-dodecadienoic acid) | 212.141625 | 606.00000 | NA | NA | NA | NA | 213.1495 | 211.13380 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_772 | C13:1 FA (Tridecenoic acid) | 212.178125 | 558.00000 | NA | NA | NA | NA | 213.1859 | 211.17030 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_773 | C12:1, OH FA (Hydroxy-dodecenoic acid) | 214.157325 | 462.00000 | NA | NA | NA | NA | 215.1652 | 213.14950 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_774 | C13:0 FA (Tridecanoic acid) | 214.193625 | 576.00000 | 0 | HMDB00910 | C17076 | NA | 215.2014 | 213.18580 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_775 | C11:0,DC FA (Undecanedioic acid) | 216.136325 | 414.00000 | 1852-04-6 | HMDB00888 | NA | NA | 217.1441 | 215.12850 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_776 | C12:0,OH FA (Hydroxydodecanoic acid) | 216.172825 | 492.00000 | NA | HMDB00387 | NA | NA | 217.1807 | 215.16500 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_777 | C14:1 FA (Tetradecenoic acid) | 226.193525 | 576.00000 | NA | HMDB02000 | C08322 | NA | 227.2013 | 225.18570 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_778 | C12:1,DC FA(2) (Traumatic acid) | 228.136425 | 426.00000 | 6402-36-4 | HMDB00933 | C16308 | NA | 229.1442 | 227.12860 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_779 | C12:1,DC FA(1) (Traumatic acid) | 228.136525 | 408.00000 | 6402-36-4 | HMDB00933 | C16308 | NA | 229.1444 | 227.12870 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_780 | C14:0 FA (Myristic acid) | 228.209225 | 600.00000 | 544-63-8 | HMDB00806 | C06424 | NA | 229.2171 | 227.20140 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_781 | C12:0,DC FA(1) (Dodecanedicarboxylic acid) | 230.151925 | 438.00000 | NA | HMDB00623 | C02678 | NA | 231.1598 | 229.14410 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_782 | C12:0,DC FA(2) (Dodecanedicarboxylic acid) | 230.151925 | 456.00000 | NA | HMDB00623 | C02678 | NA | 231.1598 | 229.14410 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_783 | C15:3 FA (Pentadecatrienoic acid) | 236.177825 | 558.00000 | NA | NA | NA | NA | 237.1857 | 235.17000 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_784 | C14:3,OH FA (Hydroxy-tetradecatrienoic acid) | 238.157125 | 528.00000 | 0 | 0 | 0 | NA | 239.1650 | 237.14930 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_785 | 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 240.099925 | 420.00000 | NA | HMDB61112 | NA | NA | 241.1078 | 239.09210 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_786 | C14:2,OH FA (Hydroxy-tetradecadienoic acid) | 240.172725 | 498.00000 | NA | NA | NA | NA | 241.1806 | 239.16490 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_787 | C15:1 FA (Pentadecenoic acid) | 240.209125 | 600.00000 | NA | HMDB29765 | NA | NA | 241.2169 | 239.20130 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_788 | C14:1,OH FA (Hydroxy-tetradecenoic acid) | 242.188425 | 528.00000 | NA | NA | NA | NA | 243.1962 | 241.18060 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_789 | C15:0 FA (Pentadecanoic acid) | 242.224825 | 618.00000 | 1002-84-2 | HMDB00826 | C16537 | NA | 243.2327 | 241.21700 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_790 | C13:0,DC FA(1) (Tridecanedicarboxylic acid) | 244.167525 | 462.00000 | NA | HMDB02327 | NA | NA | 245.1754 | 243.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_791 | C13:0,DC FA(2) (Tridecanedicarboxylic acid) | 244.167525 | 480.00000 | NA | HMDB02327 | NA | NA | 245.1754 | 243.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_792 | C13:0,DC FA(3) (Tridecanedicarboxylic acid) | 244.167525 | 492.00000 | NA | HMDB02327 | NA | NA | 245.1754 | 243.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_793 | C14:0,OH FA (Hydroxy-myristic acid) | 244.203925 | 552.00000 | 2507-55-3 | HMDB02261 | NA | NA | 245.2117 | 243.19610 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_794 | C16:4 FA (Hexadecatetraenoic acid) | 248.177725 | 558.00000 | NA | NA | NA | NA | 249.1856 | 247.16990 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_795 | C16:3 FA (Hexadecatrienoic acid) | 250.193425 | 576.00000 | NA | NA | NA | NA | 251.2012 | 249.18560 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_796 | C16:2 FA (Hexadecadienoic acid) | 252.209025 | 588.00000 | NA | HMDB00477 | NA | NA | 253.2168 | 251.20120 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_797 | C16:1 FA (Palmitoleic acid) | 254.224625 | 612.00000 | 373-49-9 | HMDB03229 | C08362 | NA | 255.2325 | 253.21680 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_798 | C14:2,2OH FA (Dihydro-tetradecadienoic acid) | 256.167525 | 480.00000 | NA | NA | NA | NA | 257.1753 | 255.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_799 | C16:0 FA (Palmitic acid) | 256.240225 | 636.00000 | 57-10-3 | HMDB00220 | C00249 | NA | 257.2480 | 255.23240 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_800 | C14:0,DC FA(1) (Tetradecanedicarboxylic acid) | 258.183225 | 498.00000 | NA | HMDB00872 | NA | NA | 259.1911 | 257.17540 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_801 | C14:0,DC FA(2) (Tetradecanedicarboxylic acid) | 258.183225 | 516.00000 | NA | HMDB00872 | NA | NA | 259.1911 | 257.17540 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_802 | C15:0,OH FA (Hydroxy-pentadecanoic acid) | 258.219625 | 588.00000 | NA | NA | NA | NA | 259.2274 | 257.21180 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_803 | Lauryl sulfate | 266.155125 | 600.00000 | 0 | 0 | 0 | NA | 267.1630 | 265.14730 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_804 | C16:2,OH FA (Hydroxy-hexadecadienoic acid) | 268.203825 | 540.00000 | NA | NA | NA | NA | 269.2117 | 267.19600 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_805 | C17:1 FA (Heptadecenoic acid) | 268.240225 | 630.00000 | NA | HMDB60038 | NA | NA | 269.2480 | 267.23240 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_806 | C16:1,OH FA (Hydroxy-palmitoleic acid) | 270.219525 | 570.00000 | NA | NA | NA | NA | 271.2274 | 269.21170 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_807 | C17:0 FA (Heptadecanoic acid) | 270.255925 | 654.00000 | NA | HMDB02259 | NA | NA | 271.2638 | 269.24810 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_808 | C16:0,OH FA(1) (Hydroxy-hexadecanoic acid) | 272.235125 | 576.00000 | NA | HMDB10734 | NA | NA | 273.2430 | 271.22730 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_809 | C16:0,OH FA(2) (Hydroxy-hexadecanoic acid) | 272.235225 | 606.00000 | NA | HMDB10734 | NA | NA | 273.2430 | 271.22740 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_810 | C18:4 FA (Octadecatetraenoic acid) | 276.208925 | 588.00000 | NA | HMDB06547 | C16300 | NA | 277.2167 | 275.20110 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_811 | C17:4,OH FA (Hydroxy-heptadecatetraenoic acid) | 278.188025 | 504.00000 | 0 | 0 | 0 | NA | 279.1959 | 277.18020 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_812 | C18:3 FA (Linolenic acid) | 278.224325 | 606.00000 | 463-40-1 | HMDB01388 | C06427 | NA | 279.2321 | 277.21650 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_813 | C17:3,OH FA (Hydroxy-septadecatrienoic acid) | 280.194325 | 504.00000 | 0 | 0 | 0 | NA | 281.2022 | 279.18650 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_814 | C16:0,DC FA (Hexadecanedicarboxylic acid) | 286.214325 | 564.00000 | NA | HMDB00672 | C19615 | NA | 287.2221 | 285.20650 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_815 | C18:4,OH FA (Hydroxy-octadecatetraenoic acid) | 292.203925 | 558.00000 | 0 | 0 | 0 | NA | 293.2117 | 291.19610 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_816 | C18:3,OH FA (Hydroxylinolenic acid) | 294.219525 | 564.00000 | NA | HMDB11108 | NA | NA | 295.2274 | 293.21170 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_817 | 9-HODE(1) | 296.235025 | 564.00000 | NA | HMDB04702 | C14826 | NA | 297.2428 | 295.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_818 | 9-HODE(2) | 296.235025 | 582.00000 | NA | HMDB04702 | C14826 | NA | 297.2428 | 295.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_819 | C19:1 FA (Nonadecaenoic acid) | 296.271325 | 660.00000 | NA | HMDB13622 | C00174 | NA | 297.2792 | 295.26350 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_820 | C18:1,OH FA(2) (Hydroxy-oleic acid) | 298.250625 | 606.00000 | NA | NA | NA | NA | 299.2584 | 297.24280 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_821 | C18:1,OH FA(1) (Hydroxy-oleic acid) | 298.250625 | 588.00000 | NA | NA | NA | NA | 299.2584 | 297.24280 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_822 | C19:0 FA(1) (Nonadecanoic acid) | 298.286925 | 660.00000 | NA | HMDB00772 | C16535 | NA | 299.2948 | 297.27910 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_823 | C19:0 FA(2) (Nonadecanoic acid) | 298.287025 | 690.00000 | NA | HMDB00772 | C16535 | NA | 299.2948 | 297.27920 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_824 | C20:6 FA (Retinoic acid) | 300.208825 | 576.00000 | NA | HMDB02369 | C15493 | NA | 301.2167 | 299.20100 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_825 | C18:0,OH FA (Hydroxy-octadecanoic acid) | 300.266225 | 600.00000 | NA | HMDB10737 | NA | NA | 301.2740 | 299.25840 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_826 | C20:5 FA (Eicosapentaenoic acid) | 302.224325 | 606.00000 | 10417-94-4 | HMDB01999 | C06428 | NA | 303.2321 | 301.21650 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_827 | C20:4 FA (Arachidonic acid) | 304.240025 | 624.00000 | 506-32-1 | HMDB01043 | C00219 | NA | 305.2479 | 303.23220 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_828 | C20:3 FA (Eicosatrienoic acid) | 306.255625 | 636.00000 | 1783-84-2 | HMDB02925 | C03242 | NA | 307.2634 | 305.24780 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_829 | C20:2 FA (Eicosadienoic acid) | 308.271525 | 654.00000 | 5598-38-9 | HMDB05060 | C16525 | NA | 309.2794 | 307.26370 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_830 | C18:2,DC FA (Octadecadienedicarboxylic acid) | 310.214425 | 558.00000 | NA | NA | NA | NA | 311.2222 | 309.20660 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_831 | C20:1 FA (Eicosenoic acid) | 310.287125 | 672.00000 | 5561-99-9 | HMDB02231 | C16526 | NA | 311.2949 | 309.27930 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_832 | C18:1,DC FA (Octadecenedicarboxylic acid) | 312.230125 | 576.00000 | NA | NA | NA | NA | 313.2380 | 311.22230 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_833 | C20:0 FA (Arachidic acid) | 312.302725 | 678.00000 | NA | HMDB02212 | C06425 | NA | 313.3105 | 311.29490 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_834 | C18:0,DC FA (Octadecanedicarboxylic acid) | 314.245625 | 606.00000 | NA | HMDB00782 | NA | NA | 315.2534 | 313.23780 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_835 | C20:4,OH FA(2) (HETE) | 320.235025 | 582.00000 | NA | HMDB10222 | NA | NA | 321.2428 | 319.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_836 | C20:4,OH FA(1) (HETE) | 320.235125 | 570.00000 | NA | HMDB10222 | NA | NA | 321.2430 | 319.22730 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_837 | C20:3,OH FA (Hydroxy-eicosatrienoic acid) | 322.250725 | 600.00000 | 13-16-1 | HMDB05045 | NA | NA | 323.2586 | 321.24290 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_838 | C20:2,OH FA (Hydroxy-eicosadienoic acid) | 324.266325 | 618.00000 | NA | NA | NA | NA | 325.2742 | 323.25850 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_839 | C22:6 FA (Docosahexaenoic acid) | 328.240025 | 624.00000 | 6217-54-5 | HMDB02183 | C06429 | NA | 329.2479 | 327.23220 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_840 | C18:1,3OH FA (Trihydroxy-octadecenoic acid) | 330.240525 | 462.00000 | 29907-57-1 | HMDB04710 | C14835 | NA | 331.2484 | 329.23270 | iPOP_Exercise | Lipid | Fatty Acid, Trihydroxy | nRPLC |
RPLC_841 | C22:5 FA (Docosapentaenoic acid) | 330.255725 | 636.00000 | 24880-45-3 | HMDB06528 | C16513 | NA | 331.2636 | 329.24790 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_842 | Hydroxyprogesterone | 332.198625 | 414.00000 | 0 | HMDB04031 | C05498 | NA | 333.2065 | 331.19080 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_843 | C22:4 FA (Adrenic acid) | 332.271425 | 648.00000 | NA | HMDB02226 | C16527 | NA | 333.2792 | 331.26360 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_844 | C20:4,DC FA | 334.214325 | 444.00000 | NA | NA | NA | NA | 335.2221 | 333.20650 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_845 | C22:3 FA (Docosatrienoic acid) | 334.286925 | 666.00000 | 28845-86-5 | HMDB02823 | NA | NA | 335.2948 | 333.27910 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_846 | C22:2 FA (Docosadienoic acid) | 336.302825 | 690.00000 | NA | HMDB61714 | NA | NA | 337.3107 | 335.29500 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_847 | C22:1 FA (Catelaidic acid) | 338.318425 | 720.00000 | 1002-96-6 | HMDB02884 | NA | NA | 339.3263 | 337.31060 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_848 | C22:6,OH FA (Hydroxy-docosahexaenoic acid) | 344.235025 | 576.00000 | 90780-52-2 | HMDB10213 | NA | NA | 345.2428 | 343.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_849 | C20:0,2OH FA (Dihydroxy-eicosanoic acid) | 344.292525 | 582.00000 | 120727-26-6 | HMDB31923 | NA | NA | 345.3003 | 343.28470 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_850 | Corticosterone | 346.214225 | 570.00000 | 50-22-6 | HMDB01547 | C02140 | NA | 347.2221 | 345.20640 | iPOP_Exercise | Lipid | Corticosteroids | nRPLC |
RPLC_851 | C22:5,OH FA (Hydroxy-docosapentaenoic acid) | 346.250625 | 600.00000 | 0 | 0 | 0 | NA | 347.2584 | 345.24280 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_852 | C24:6 FA (Tetracosahexaenoic acid) | 356.271625 | 648.00000 | 81247-23-6 | HMDB02007 | NA | NA | 357.2794 | 355.26380 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_853 | C24:5 FA (Tetracosapentaenoic acid) | 358.287025 | 660.00000 | NA | HMDB06322 | NA | NA | 359.2948 | 357.27920 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_854 | C24:4 FA (Tetracosatetraenoic acid) | 360.302725 | 678.00000 | NA | HMDB06246 | NA | NA | 361.3105 | 359.29490 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_855 | C22:4,2OH FA (Dihydro-docosatetraenoic acid) | 364.261225 | 600.00000 | 0 | 0 | 0 | NA | 365.2690 | 363.25340 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_856 | C24:1 FA (Nervonic acid) | 366.349425 | 792.00000 | 506-37-6 | HMDB02368 | C08323 | NA | 367.3573 | 365.34160 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_857 | Dehydroisoandrosterone sulfate (DHEA-S)(2) | 368.165425 | 504.00000 | NA | HMDB01032 | C04555 | NA | 369.1732 | 367.15760 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_858 | Androsterone sulfate | 370.180925 | 540.00000 | 2479-86-9 | HMDB02759 | NA | NA | 371.1888 | 369.17310 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_859 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate | 372.195825 | 558.00000 | NA | NA | NA | NA | 373.2036 | 371.18800 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_860 | 16a-hydroxy DHEA 3-sulfate | 384.160425 | 438.00000 | NA | NA | NA | NA | 385.1683 | 383.15260 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_861 | Chenodeoxycholic Acid(2) | 392.292525 | 576.00000 | NA | HMDB0000518 | NA | NA | 393.3003 | 391.28470 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_862 | Chenodeoxycholic Acid(1) | 392.292625 | 558.00000 | NA | HMDB0000518 | NA | NA | 393.3005 | 391.28480 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_863 | C24:3,2OH (Dihydroxy-Tetracosatrienoic acid) | 394.308125 | 630.00000 | NA | NA | NA | NA | 395.3159 | 393.30030 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_864 | Pregnenolone sulfate | 396.196725 | 570.00000 | 1247-64-9 | HMDB00774 | NA | NA | 397.2045 | 395.18890 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_865 | Pregnanolone sulfate | 398.212525 | 558.00000 | NA | NA | NA | NA | 399.2203 | 397.20470 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_866 | C25:0,OH FA (Hydroxy-pentacosanoic acid) | 398.375625 | 678.00000 | NA | NA | NA | NA | 399.3834 | 397.36780 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_867 | 5alpha-pregnan-3beta,20beta-diol monosulfate (1) | 400.228125 | 576.00000 | 0 | 0 | 0 | NA | 401.2360 | 399.22030 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_868 | Cholic Acid | 408.287225 | 540.00000 | NA | HMDB0000619 | NA | NA | 409.2951 | 407.27940 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_869 | 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) | 430.307725 | 612.00000 | NA | HMDB12458 | C17337 | NA | 431.3155 | 429.29990 | iPOP_Exercise | Lipid | Sterol | nRPLC |
RPLC_870 | LysoPE(15:0) | 439.269525 | 528.00000 | NA | HMDB11472 | NA | NA | 440.2774 | 438.26170 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_871 | Chenodeoxycholic acid glycine conjugate | 449.313825 | 552.00000 | 640-79-9 | HMDB00637 | C05466 | NA | 450.3216 | 448.30600 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_872 | Sulfolithocholic acid | 456.253925 | 648.00000 | 34669-57-3 | HMDB00907 | NA | NA | 457.2618 | 455.24610 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_873 | Glycocholic acid | 465.308425 | 516.00000 | 475-31-0 | HMDB00138 | C01921 | NA | 466.3163 | 464.30060 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_874 | Androsterone glucuronide(1) | 466.256025 | 480.00000 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2638 | 465.24820 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_875 | Androsterone glucuronide(2) | 466.256125 | 498.00000 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2640 | 465.24830 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_876 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(1) | 468.271525 | 486.00000 | NA | NA | NA | NA | 469.2794 | 467.26370 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_877 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(2) | 468.271825 | 516.00000 | NA | NA | NA | NA | 469.2797 | 467.26400 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_878 | Chenodeoxycholic acid 3-sulfate(2) | 472.249125 | 600.00000 | 59132-32-0 | HMDB02586 | NA | NA | 473.2570 | 471.24130 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_879 | Chenodeoxycholic acid 3-sulfate(1) | 472.249325 | 558.00000 | 59132-32-0 | HMDB02586 | NA | NA | 473.2572 | 471.24150 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_880 | 11-beta-Hydroxyandrosterone-3-glucuronide | 482.251125 | 408.00000 | NA | HMDB10351 | NA | NA | 483.2590 | 481.24330 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_881 | Pregnanediol-3-glucuronide | 496.303125 | 534.00000 | NA | HMDB10318 | C03033 | NA | 497.3109 | 495.29530 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_882 | Tauroursodeoxycholic acid | 499.296225 | 600.00000 | 14605-22-2 | HMDB00874 | NA | NA | 500.3041 | 498.28840 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_883 | LysoPE(20:2) | 505.316625 | 582.00000 | NA | HMDB11483 | NA | NA | 506.3245 | 504.30880 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_884 | LysoPE(20:1) | 507.331925 | 606.00000 | NA | HMDB11482 | NA | NA | 508.3397 | 506.32410 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_885 | LysoPE(20:0) | 509.347425 | 630.00000 | NA | HMDB11481 | NA | NA | 510.3553 | 508.33960 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_886 | LysoPG(18:0) | 512.310625 | 612.00000 | NA | NA | NA | NA | 513.3184 | 511.30280 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_887 | Taurocholic acid | 515.291225 | 558.00000 | 81-24-3 | HMDB00036 | C05122 | NA | 516.2990 | 514.28340 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_888 | LysoPE(22:5) | 527.300925 | 588.00000 | NA | HMDB11494 | NA | NA | 528.3088 | 526.29310 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_889 | LysoPE(22:4) | 529.316025 | 582.00000 | NA | HMDB11493 | NA | NA | 530.3238 | 528.30820 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_890 | Tetrahydroaldosterone-3-glucuronide | 540.256425 | 408.00000 | 20605-81-6 | HMDB10357 | NA | NA | 541.2642 | 539.24860 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_891 | Tetrahydrocortisol glucuronide(1) | 542.272325 | 396.00000 | NA | NA | NA | NA | 543.2802 | 541.26450 | iPOP_Exercise | Lipid | Corticosteroids | nRPLC |
RPLC_892 | Tetrahydrocortisol glucuronide(2) | 542.272325 | 426.00000 | NA | NA | NA | NA | 543.2802 | 541.26450 | iPOP_Exercise | Lipid | Corticosteroids | nRPLC |
RPLC_893 | Cholesterol glucuronide | 562.386425 | 720.00000 | 17435-78-8 | HMDB10330 | C03033 | NA | 563.3943 | 561.37860 | iPOP_Exercise | Lipid | Sterol | nRPLC |
RPLC_894 | Deoxycholic acid 3-glucuronide(3) | 568.324325 | 564.00000 | 72504-58-6 | HMDB02596 | C03033 | NA | 569.3321 | 567.31650 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_895 | Deoxycholic acid 3-glucuronide(1) | 568.324425 | 522.00000 | 72504-58-6 | HMDB02596 | C03033 | NA | 569.3323 | 567.31660 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_896 | Deoxycholic acid 3-glucuronide(2) | 568.324425 | 540.00000 | 72504-58-6 | HMDB02596 | C03033 | NA | 569.3323 | 567.31660 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_897 | LysoPI(18:1) | 598.311225 | 678.00000 | NA | HMDB61693 | NA | NA | 599.3190 | 597.30340 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_898 | LysoPI(18:0) | 600.327025 | 720.00000 | 0 | HMDB0240261 | 0 | NA | 601.3348 | 599.31920 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_899 | LysoPI(20:4) | 620.295525 | 648.00000 | NA | HMDB61690 | NA | NA | 621.3034 | 619.28770 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_900 | C14:2 FA (Tetradecadienoic acid) | 224.177925 | 552.00000 | NA | HMDB00560 | NA | NA | 225.1858 | 223.17010 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_901 | Ketodeoxycholic acid(1) | 390.276925 | 552.00000 | 5130-29-0 | HMDB00328 | NA | NA | 391.2847 | 389.26910 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_902 | Ketodeoxycholic acid(2) | 390.276925 | 564.00000 | 5130-29-0 | HMDB00328 | NA | NA | 391.2847 | 389.26910 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_903 | Ketodeoxycholic acid(3) | 390.277225 | 612.00000 | 5130-29-0 | HMDB00328 | NA | NA | 391.2851 | 389.26940 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_904 | N6-Carbamoyl-L-threonyladenosine | 412.133825 | 204.00000 | NA | HMDB41623 | NA | NA | 413.1417 | 411.12600 | iPOP_Exercise | Nucleotide | Purine Metabolism, Adenine containing | nRPLC |
RPLC_905 | gamma-glutamylhistidine | 284.115825 | 636.00000 | NA | HMDB29151 | NA | NA | 285.1236 | 283.10800 | iPOP_Exercise | Peptide | Gamma-glutamyl Amino Acid | nRPLC |
RPLC_906 | 3-Phenylpropionate (hydrocinnamate) | 150.068625 | 264.00000 | NA | HMDB00764 | C05629 | NA | 151.0764 | 149.06080 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_907 | Dihydroxybenzoic acid | 154.027125 | 108.00000 | 303-07-1 | HMDB13676 | NA | NA | 155.0350 | 153.01930 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_908 | Phenylbutyric acid | 164.084325 | 432.00000 | 90-27-7 | HMDB00329 | NA | NA | 165.0922 | 163.07650 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_909 | 1-Methylxanthine | 166.049525 | 102.00000 | NA | HMDB10738 | C16358 | NA | 167.0574 | 165.04170 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | nRPLC |
RPLC_910 | Dihydro-3-coumaric acid | 166.063425 | 180.00000 | NA | HMDB00375 | C11457 | NA | 167.0712 | 165.05560 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_911 | Catechol sulfate | 189.993925 | 36.00000 | NA | HMDB59724 | NA | NA | 191.0017 | 188.98610 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_912 | Hydroxyhippurate | 195.053425 | 168.00000 | 487-54-7 | HMDB00840 | C07588 | NA | 196.0613 | 194.04560 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_913 | 4-methylcatechol sulfate | 204.009625 | 90.00000 | NA | NA | NA | NA | 205.0174 | 203.00180 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_914 | Cinnamoylglycine | 205.074125 | 246.00000 | 16534-24-0 | HMDB11621 | NA | NA | 206.0820 | 204.06630 | iPOP_Exercise | Xenobiotics | Food Component/Plant | nRPLC |
RPLC_915 | Naproxen | 230.094325 | 420.00000 | 22204-53-1 | HMDB01923 | C01517 | NA | 231.1021 | 229.08650 | iPOP_Exercise | Xenobiotics | Drug | nRPLC |
RPLC_916 | Methyl-4-hydroxybenzoate sulfate | 232.004325 | 228.00000 | NA | NA | NA | NA | 233.0121 | 230.99650 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_917 | Eugenol sulfate | 244.040525 | 294.00000 | NA | NA | NA | NA | 245.0483 | 243.03270 | iPOP_Exercise | Xenobiotics | Food Component/Plant | nRPLC |
- database.info: 数据库的信息。
snyder_database_rplc0.0.3@database.info
#> $Version
#> [1] "0.0.2"
#>
#> $Source
#> [1] "MS"
#>
#> $Link
#> [1] "http://snyderlab.stanford.edu/"
#>
#> $Creater
#> [1] "Xiaotao Shen"
#>
#> $Email
#> [1] "shenxt1990@163.com"
#>
#> $RT
#> [1] TRUE
- spectra.data: 数据库中代谢物的光谱信息。
names(snyder_database_rplc0.0.3@spectra.data)
#> [1] "Spectra.positive" "Spectra.negative"
head(names(snyder_database_rplc0.0.3@spectra.data$Spectra.positive))
#> [1] "RPLC_1" "RPLC_4" "RPLC_5" "RPLC_6" "RPLC_8" "RPLC_11"
一个代谢物可能包含多个光谱。
snyder_database_rplc0.0.3@spectra.data$Spectra.positive$RPLC_1$NCE25
#> mz intensity
#> 1 75.39029 2039.701
#> 2 94.02876 114757.586
#> 3 94.03993 3595.191
#> 4 95.02399 36360.066
#> 5 98.20596 1916.709
#> 6 112.03533 4580.538
#> 7 112.03936 145708.062
#> 8 112.05051 453812.188
#> 9 112.07562 4863.364
#> 10 113.03457 15553.875
#> 11 119.66673 1851.687
#> 12 121.27402 1928.461
#> 13 122.42378 1972.688
你可以使用 masstools 中的函数 来可视化 MS2 光谱。
if(!require(masstools)){
remotes::install_gitlab("tidymass/masstools")
}
library(masstools)
ms2_plot(
snyder_database_rplc0.0.3@spectra.data$Spectra.positive$RPLC_1$NCE25
)

从数据库中提取光谱
ms2 <-
get_ms2_spectrum(lab.id = "RPLC_1",
database = snyder_database_rplc0.0.3,
polarity = "positive",
ce = "NCE25"
)
ms2
#> mz intensity
#> 1 75.39029 2039.701
#> 2 94.02876 114757.586
#> 3 94.03993 3595.191
#> 4 95.02399 36360.066
#> 5 98.20596 1916.709
#> 6 112.03533 4580.538
#> 7 112.03936 145708.062
#> 8 112.05051 453812.188
#> 9 112.07562 4863.364
#> 10 113.03457 15553.875
#> 11 119.66673 1851.687
#> 12 121.27402 1928.461
#> 13 122.42378 1972.688
ms2_plot(ms2)

将 databaseClass
转换为其他数据库格式
MassBank
、MoNA
和其他一些公共数据库提供代谢物的 msp
格式数据库。因此你可以使用 metID
中的函数将 metID
格式的数据库输出为 msp
格式,以便用于 GNPS
、MassBank
和 MoNA
。
MassBank
msp
格式
只需使用 write_msp_massbank()
函数将 metID
数据库输出为 MassBank 的 msp
格式。
library(metid)
write_msp_massbank(databasae = databasae, path = ".")
write_msp_massbank()
函数的参数可以通过 ?write_msp_massbank()
查找。
mgf
格式
只需使用 write_mgf_massbank()
函数将 metID
数据库输出为 MassBank 的 mgf
格式。
library(metid)
write_mgf_massbank(databasae = databasae, path = ".")
write_mgf_massbank()
函数的参数可以通过 ?write_msp_massbank()
查找。
MoNA
msp
格式
只需使用 write_msp_mona()
函数将 metID
数据库输出为 MoNA 的 msp
格式。
library(metid)
write_msp_mona(databasae = databasae, path = ".")
write_msp_mona()
函数的参数可以通过 ?write_msp_mona()
查找。
mgf
格式
只需使用 write_mgf_mona()
函数将 metID
数据库输出为 MoNA 的 mgf
格式。
library(metid)
write_mgf_mona(databasae = databasae, path = ".")
write_mgf_mona()
函数的参数可以通过 ?write_msp_mona()
查找。
GNPS
msp
格式
只需使用 write_msp_gnps()
函数将 metID
数据库输出为 GNPS 的 msp
格式。
library(metid)
write_msp_gnps(databasae = databasae, path = ".")
write_msp_gnps()
函数的参数可以通过 ?write_msp_gnps()
查找。
mgf
格式
只需使用 write_mgf_gnps()
函数将 metID
数据库输出为 GNPS 的 mgf
格式。
library(metid)
write_mgf_gnps(databasae = databasae, path = ".")
write_mgf_gnps()
函数的参数可以通过 ?write_msp_gnps()
查找。
会话信息
sessionInfo()
#> R version 4.4.1 (2024-06-14)
#> Platform: aarch64-apple-darwin20
#> Running under: macOS 15.0
#>
#> Matrix products: default
#> BLAS: /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/lib/libRblas.0.dylib
#> LAPACK: /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/lib/libRlapack.dylib; LAPACK version 3.12.0
#>
#> locale:
#> [1] en_US.UTF-8/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8
#>
#> time zone: Asia/Singapore
#> tzcode source: internal
#>
#> attached base packages:
#> [1] stats4 stats graphics grDevices utils datasets methods
#> [8] base
#>
#> other attached packages:
#> [1] kableExtra_1.4.0 MSnbase_2.30.1 ProtGenerics_1.36.0
#> [4] S4Vectors_0.42.1 mzR_2.38.0 Rcpp_1.0.13
#> [7] Biobase_2.64.0 BiocGenerics_0.50.0 ggplot2_3.5.1
#> [10] massdataset_1.0.34 dplyr_1.1.4 magrittr_2.0.3
#> [13] masstools_1.0.13 metid_1.2.34
#>
#> loaded via a namespace (and not attached):
#> [1] RColorBrewer_1.1-3 rstudioapi_0.16.0
#> [3] jsonlite_1.8.8 shape_1.4.6.1
#> [5] MultiAssayExperiment_1.30.3 farver_2.1.2
#> [7] MALDIquant_1.22.3 rmarkdown_2.28
#> [9] GlobalOptions_0.1.2 zlibbioc_1.50.0
#> [11] vctrs_0.6.5 RCurl_1.98-1.16
#> [13] blogdown_1.19 progress_1.2.3
#> [15] htmltools_0.5.8.1 S4Arrays_1.4.1
#> [17] cellranger_1.1.0 SparseArray_1.4.8
#> [19] mzID_1.42.0 sass_0.4.9
#> [21] parallelly_1.38.0 bslib_0.8.0
#> [23] htmlwidgets_1.6.4 plyr_1.8.9
#> [25] impute_1.78.0 plotly_4.10.4
#> [27] cachem_1.1.0 igraph_2.0.3
#> [29] lifecycle_1.0.4 iterators_1.0.14
#> [31] pkgconfig_2.0.3 Matrix_1.7-0
#> [33] R6_2.5.1 fastmap_1.2.0
#> [35] GenomeInfoDbData_1.2.12 MatrixGenerics_1.16.0
#> [37] future_1.34.0 clue_0.3-65
#> [39] digest_0.6.37 pcaMethods_1.96.0
#> [41] colorspace_2.1-1 furrr_0.3.1
#> [43] rprojroot_2.0.4 GenomicRanges_1.56.1
#> [45] labeling_0.4.3 fansi_1.0.6
#> [47] httr_1.4.7 abind_1.4-5
#> [49] compiler_4.4.1 here_1.0.1
#> [51] remotes_2.5.0 withr_3.0.1
#> [53] doParallel_1.0.17 BiocParallel_1.38.0
#> [55] highr_0.11 MASS_7.3-61
#> [57] DelayedArray_0.30.1 rjson_0.2.22
#> [59] tools_4.4.1 PSMatch_1.8.0
#> [61] zip_2.3.1 glue_1.7.0
#> [63] QFeatures_1.14.2 grid_4.4.1
#> [65] cluster_2.1.6 reshape2_1.4.4
#> [67] generics_0.1.3 gtable_0.3.5
#> [69] tzdb_0.4.0 preprocessCore_1.66.0
#> [71] tidyr_1.3.1 data.table_1.16.0
#> [73] hms_1.1.3 xml2_1.3.6
#> [75] utf8_1.2.4 XVector_0.44.0
#> [77] foreach_1.5.2 pillar_1.9.0
#> [79] stringr_1.5.1 limma_3.60.4
#> [81] circlize_0.4.16 lattice_0.22-6
#> [83] tidyselect_1.2.1 ComplexHeatmap_2.20.0
#> [85] pbapply_1.7-2 knitr_1.48
#> [87] bookdown_0.40 IRanges_2.38.1
#> [89] SummarizedExperiment_1.34.0 svglite_2.1.3
#> [91] xfun_0.47 statmod_1.5.0
#> [93] matrixStats_1.3.0 stringi_1.8.4
#> [95] UCSC.utils_1.0.0 lazyeval_0.2.2
#> [97] yaml_2.3.10 evaluate_0.24.0
#> [99] codetools_0.2-20 MsCoreUtils_1.16.1
#> [101] tibble_3.2.1 BiocManager_1.30.25
#> [103] cli_3.6.3 affyio_1.74.0
#> [105] systemfonts_1.1.0 munsell_0.5.1
#> [107] jquerylib_0.1.4 readxl_1.4.3
#> [109] GenomeInfoDb_1.40.1 globals_0.16.3
#> [111] png_0.1-8 XML_3.99-0.17
#> [113] parallel_4.4.1 readr_2.1.5
#> [115] prettyunits_1.2.0 AnnotationFilter_1.28.0
#> [117] bitops_1.0-8 listenv_0.9.1
#> [119] viridisLite_0.4.2 scales_1.3.0
#> [121] affy_1.82.0 openxlsx_4.2.7
#> [123] ncdf4_1.23 purrr_1.0.2
#> [125] crayon_1.5.3 GetoptLong_1.0.5
#> [127] rlang_1.1.4 vsn_3.72.0