LMFA07040003 | 4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one | 153.0528 | [M+Na]+ | 1 | 142.32 (0.785) | PNNL/Baker | 10.1039/C7SC03464D |
LMPR0102120019 | Thujone | 153.1279 | [M+H]+ | 1 | 140.49 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMPR0102120001 | Camphor | 153.1279 | [M+H]+ | 1 | 141.46 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12111442 | Nevadensin | 157.0501 | [M-H]- | -1 | 130.79 (0.209) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12111442 | Nevadensin | 181.0477 | [M+Na]+ | 1 | 138.14 (0.461) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01050033 | 10-hydroxy capric acid | 187.1359 | [M-H]- | -1 | 144.3 (0.144) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010012 | Lauric acid | 199.1698 | [M-H]- | -1 | 154.23 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010012 | Lauric Acid | 199.1704 | [M-H] | -1 | 167.57 (0.781) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010012 | Lauric acid | 199.1704 | [M-H]- | -1 | 154.82 (0.1) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01170006 | Sebacic acid | 201.1143 | [M-H]- | -1 | 144.03 (0.053) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07070060 | DL-Acetylcarnitine | 204.1222 | [M+H]+ | 1 | 143.5 (0.144) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01050033 | 10-hydroxy capric acid | 211.1320 | [M+Na]+ | 1 | 151 (0.151) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01050039 | Sabinic acid | 215.1663 | [M-H]- | -1 | 152.61 (0.084) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01170006 | Sebacic acid | 223.0948 | [M-2H+Na]- | -1 | 145.98 (0.109) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01170006 | Sebacic acid | 225.1089 | [M+Na]+ | 1 | 152.75 (0.028) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010014 | Myristic Acid | 227.2017 | [M-H] | -1 | 158.09 (0.453) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA08010006 | lipoamide | 228.0482 | [M+Na]+ | 1 | 150.4 (0.15) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01050039 | Sabinic acid | 239.1627 | [M+Na]+ | 1 | 160.27 (0.252) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010015 | Pentadecylic acid | 241.2167 | [M-H]- | -1 | 164.78 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010015 | Pentadecylic acid | 241.2173 | [M-H]- | -1 | 165.34 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMPK12050038 | Daidzein | 253.0501 | [M-H]- | -1 | 161.52 (0.416) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030056 | cis-9-palmitoleic acid | 253.2167 | [M-H]- | -1 | 167.33 (0.331) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030056 | cis-9-palmitoleic acid | 253.2167 | [M-H]- | -1 | 167.06 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030056 | cis-9-palmitoleic acid | 253.2173 | [M-H]- | -1 | 167.95 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01030055 | Palmitoleic Acid | 253.2174 | [M-H] | -1 | 164.9 (0.891) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030055 | Palmitoleic Acid | 253.2174 | [M-H] | -1 | 253.4 (1.11) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12050038 | Daidzein | 255.0657 | [M+H]+ | 1 | 155.76 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12120096 | Isoliquiritigenin | 255.0657 | [M-H]- | -1 | 163.42 (0.706) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010001 | Palmitic acid | 255.2324 | [M-H]- | -1 | 168.36 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010001 | Palmitic Acid | 255.233 | [M-H] | -1 | 166.02 (0.085) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010001 | Palmitic Acid | 255.233 | [M-H] | -1 | 182.7 (1.129) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010001 | Palmitic Acid | 255.233 | [M-H] | -1 | 239.8 (0.212) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010001 | Palmitic Acid | 255.233 | [M-H] | -1 | 257.42 (1.435) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010001 | Palmitic acid | 255.2330 | [M-H]- | -1 | 169.12 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01010001 | Palmitic acid | 255.2331 | [M-H]- | -1 | 169.01 (0.164) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPK12120096 | Isoliquiritigenin | 257.0814 | [M+H]+ | 1 | 163.5 (0.307) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12050037 | Formononetin | 267.0657 | [M-H]- | -1 | 168.2 (0.837) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12050218 | Genistein | 269.0450 | [M-H]- | -1 | 163.32 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK13040008 | Emodin | 269.0450 | [M-H]- | -1 | 156.13 (0.209) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12140216 | Pinostrobin | 269.0814 | [M-H]- | -1 | 167.96 (1.646) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010017 | Margaric acid | 269.2480 | [M-H]- | -1 | 172.64 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010017 | Margaric acid | 269.2483 | [M-H]- | -1 | 172.93 (0.106) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010017 | Margaric acid | 269.2486 | [M-H]- | -1 | 173.41 (0.1) | Agilent | 10.1021/acs.analchem.7b01729 |
LMPK13040008 | Emodin | 271.0606 | [M+H]+ | 1 | 159.78 (0.878) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12050218 | Genistein | 271.0606 | [M+H]+ | 1 | 176 (0.7) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12140001 | Naringenin | 271.0606 | [M-H]- | -1 | 166.5 (0.727) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12140216 | Pinostrobin | 271.0970 | [M+H]+ | 1 | 162.7 (0.901) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12140001 | Naringenin | 273.0763 | [M+H]+ | 1 | 166.39 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA07070066 | Glutarylcarnitine | 274.1299 | [M-H]- | -1 | 165.3 (0.165) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030169 | Stearidonic Acid | 275.2017 | [M-H] | -1 | 239.6 (0.208) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030169 | Stearidonic Acid | 275.2017 | [M-H] | -1 | 193.29 (0.021) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030169 | Stearidonic Acid | 275.2017 | [M-H] | -1 | 187.33 (0.526) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030169 | Stearidonic Acid | 275.2017 | [M-H] | -1 | 254.24 (0.709) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030169 | Stearidonic Acid | 275.2017 | [M-H] | -1 | 171.79 (0.377) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030169 | Stearidonic Acid | 275.2017 | [M-H] | -1 | 258.74 (3.578) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA07070066 | Glutarylcarnitine | 276.1415 | [M+H]+ | 1 | 161.1 (0.161) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPK12050038 | Daidzein | 277.0477 | [M+Na]+ | 1 | 171.51 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030056 | cis-9-palmitoleic acid | 277.2143 | [M+Na]+ | 1 | 171 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030141 | gamma-Linolenic acid | 277.2164 | [M-H]- | -1 | 174.77 (0.355) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030152 | alpha-Linolenic acid | 277.2167 | [M-H]- | -1 | 173.63 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030152 | alpha-Linolenic acid | 277.2173 | [M-H]- | -1 | 174.88 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01030152 | alpha-linolenic acid | 277.2174 | [M-H] | -1 | 171.23 (0.178) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030152 | alpha-linolenic acid | 277.2174 | [M-H] | -1 | 256.45 (0.283) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030152 | alpha-linolenic acid | 277.2174 | [M-H] | -1 | 242.74 (0.566) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030152 | alpha-linolenic acid | 277.2174 | [M-H] | -1 | 187 (0.826) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030152 | alpha-linolenic acid | 277.2174 | [M-H] | -1 | 178.57 (0.269) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12120096 | Isoliquiritigenin | 279.0633 | [M+Na]+ | 1 | 185.61 (1.107) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010001 | Palmitic acid | 279.2300 | [M+Na]+ | 1 | 183.46 (0.232) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010001 | Palmitic acid | 279.2309 | [M+Na]+ | 1 | 173.19 (0.499) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030120 | Linoleic acid | 279.2324 | [M-H]- | -1 | 174.53 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030120 | Linoleic Acid | 279.233 | [M-H] | -1 | 245.26 (0.113) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030120 | Linoleic Acid | 279.233 | [M-H] | -1 | 273.77 (0.445) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030120 | Linoleic Acid | 279.233 | [M-H] | -1 | 257.82 (0.189) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030120 | Linoleic Acid | 279.233 | [M-H] | -1 | 185.72 (0.333) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030120 | Linoleic Acid | 279.233 | [M-H] | -1 | 171.78 (0.148) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030120 | Linoleic acid | 279.2330 | [M-H]- | -1 | 175.69 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01030120 | Linoleic acid | 279.2332 | [M-H]- | -1 | 174.66 (0.141) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010012 | Lauric Acid | 281.1735 | [M-H+CH3COONa] | -1 | 190.61 (0.758) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010012 | Lauric Acid | 281.1735 | [M-H+CH3COONa] | -1 | 172.42 (0.549) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030002 | Oleic acid | 281.2469 | [M-H]- | -1 | 175.8 (0.411) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030002 | Oleic acid | 281.2480 | [M-H]- | -1 | 175.22 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030066 | Petroselinic acid | 281.2483 | [M-H]- | -1 | 175.6 (0.066) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030073 | 9-elaidic acid | 281.2485 | [M-H]- | -1 | 175.96 (0.068) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030002 | Oleic acid | 281.2486 | [M-H]- | -1 | 176.46 (0.153) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01030002 | Oleic Acid | 281.2487 | [M-H] | -1 | 261.12 (1.534) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030002 | Oleic Acid | 281.2487 | [M-H] | -1 | 186.57 (0.636) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030002 | Oleic Acid | 281.2487 | [M-H] | -1 | 247.53 (1.156) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030002 | Oleic Acid | 281.2487 | [M-H] | -1 | 172.52 (0.509) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12050353 | Prunetin | 283.0606 | [M-H]- | -1 | 174.3 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110468 | Acacetin | 283.0606 | [M-H]- | -1 | 172.06 (0.704) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12050229 | Biochanin A | 283.0606 | [M-H]- | -1 | 169.56 (0.201) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010018 | Stearic acid | 283.2637 | [M-H]- | -1 | 177.11 (0.266) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010018 | Stearic acid | 283.2639 | [M-H]- | -1 | 177.08 (0.023) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010018 | Stearic Acid | 283.2643 | [M-H] | -1 | 174.29 (0.806) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010018 | Stearic acid | 283.2643 | [M-H]- | -1 | 177.66 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMPK12110003 | Kaempferol | 285.0399 | [M-H]- | -1 | 165.09 (0.669) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12050353 | Prunetin | 285.0763 | [M+H]+ | 1 | 164.69 (0.806) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110468 | Acacetin | 285.0763 | [M+H]+ | 1 | 166.23 (0.878) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110003 | Kaempferol | 287.0556 | [M+H]+ | 1 | 164.43 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12010002 | Cyanidin | 287.0556 | [M*]+ | 1 | 166.62 (0.265) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02020007 | Androstenedione | 287.2011 | [M+H]+ | 1 | 183.03 (0.727) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12020001 | Catechin | 289.0712 | [M-H]- | -1 | 159.16 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12140002 | Eriodictyol | 289.0712 | [M+H]+ | 1 | 180.46 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12050037 | Formononetin | 291.0633 | [M+Na]+ | 1 | 174.49 (0.532) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12020001 | Catechin | 291.0869 | [M+H]+ | 1 | 163.63 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12050218 | Genistein | 293.0426 | [M+Na]+ | 1 | 161.77 (0.551) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000016 | 13-Oxo-ODE | 293.2117 | [M-H]- | -1 | 179.53 (0.231) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000151 | 9-HODE | 295.2273 | [M-H]- | -1 | 179.73 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000016 | 13-Oxo-ODE | 295.2273 | [M+H]+ | 1 | 177.48 (0.252) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000155 | alpha-artemisic acid | 295.2273 | [M-H]- | -1 | 182.2 (0.95) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000035 | 13-HODE | 295.2279 | [M-H] | -1 | 252.22 (0.127) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000038 | 12(13)-EpOME | 295.2279 | [M-H] | -1 | 174.23 (0.941) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000037 | 9(10)-EpOME | 295.2279 | [M-H] | -1 | 187.99 (0.563) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000037 | 9(10)-EpOME | 295.2279 | [M-H] | -1 | 181.97 (0.823) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000037 | 9(10)-EpOME | 295.2279 | [M-H] | -1 | 173.96 (0.231) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000037 | 9(10)-EpOME | 295.2279 | [M-H] | -1 | 249.55 (0.215) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000037 | 9(10)-EpOME | 295.2279 | [M-H] | -1 | 258.3 (0.595) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000035 | 13-HODE | 295.2279 | [M-H] | -1 | 261.21 (0.014) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000038 | 12(13)-EpOME | 295.2279 | [M-H] | -1 | 186.76 (0.898) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000038 | 12(13)-EpOME | 295.2279 | [M-H] | -1 | 246.96 (0.028) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000038 | 12(13)-EpOME | 295.2279 | [M-H] | -1 | 258.37 (0.552) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000035 | 13-HODE | 295.2279 | [M-H] | -1 | 190.08 (0.605) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA07070066 | Glutarylcarnitine | 298.1242 | [M+Na]+ | 1 | 167.1 (0.167) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02010033 | 2-Methoxyestrone | 299.1647 | [M-H]- | -1 | 183.63 (1.686) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12140003 | Hesperetin | 301.0712 | [M-H]- | -1 | 177.6 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02010033 | 2-Methoxyestrone | 301.1804 | [M+H]+ | 1 | 172.83 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030152 | alpha-Linolenic acid | 301.2143 | [M+Na]+ | 1 | 171.14 (0) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030759 | Eicosapentaenoic Acid | 301.2174 | [M-H] | -1 | 179.22 (0.62) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030759 | Eicosapentaenoic Acid | 301.2174 | [M-H] | -1 | 199.94 (0.3) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030759 | Eicosapentaenoic Acid | 301.2174 | [M-H] | -1 | 259.24 (0.257) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030759 | Eicosapentaenoic Acid | 301.2174 | [M-H] | -1 | 250.49 (0.364) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030759 | Eicosapentaenoic Acid | 301.2174 | [M-H] | -1 | 274.54 (1.793) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMSP01020001 | Sphinganine | 302.3046 | [M+H]+ | 1 | 189.05 (0.307) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPK12010001 | Delphinidin | 303.0505 | [M*]+ | 1 | 169.74 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12140003 | Hesperetin | 303.0869 | [M+H]+ | 1 | 182.72 (0.438) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030120 | Linoleic acid | 303.2282 | [M+Na]+ | 1 | 177.02 (0.372) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030120 | Linoleic acid | 303.2300 | [M+Na]+ | 1 | 174.72 (0.232) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030001 | Arachidonic acid | 303.2324 | [M-H]- | -1 | 185.47 (0.232) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030001 | Arachidonic Acid | 303.233 | [M-H] | -1 | 214.21 (0.215) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic Acid | 303.233 | [M-H] | -1 | 252.75 (0.152) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic Acid | 303.233 | [M-H] | -1 | 260.33 (0.192) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic Acid | 303.233 | [M-H] | -1 | 179.14 (0.156) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic Acid | 303.233 | [M-H] | -1 | 276.22 (0.663) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic Acid | 303.233 | [M-H] | -1 | 206.35 (0.135) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic Acid | 303.233 | [M-H] | -1 | 224.27 (0.198) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic acid | 303.2330 | [M-H]- | -1 | 183.66 (0.174) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01030002 | Oleic acid | 305.2456 | [M+Na]+ | 1 | 179.67 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030158 | bishomo-gamma-linolenic acid | 305.2480 | [M-H]- | -1 | 181.69 (0.209) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030158 | bishomo-gamma-linolenic acid | 305.2486 | [M-H]- | -1 | 183.02 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMFA01030158 | Dihomo-gamma-Linolenic Acid | 305.2487 | [M-H] | -1 | 277.63 (0.595) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030158 | Dihomo-gamma-Linolenic Acid | 305.2487 | [M-H] | -1 | 259.23 (2.445) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030158 | Dihomo-gamma-Linolenic Acid | 305.2487 | [M-H] | -1 | 178.83 (0.042) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12050353 | Prunetin | 307.0582 | [M+Na]+ | 1 | 179.73 (1.492) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010018 | Stearic acid | 307.2613 | [M+Na]+ | 1 | 190 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01031043 | Dihomolinoleic acid | 307.2637 | [M-H]- | -1 | 181.49 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01031043 | Dihomolinoleic acid | 307.2643 | [M-H]- | -1 | 183.32 (0.001) | Agilent | 10.1021/acs.analchem.7b01729 |
LMPK12110003 | Kaempferol | 309.0375 | [M+Na]+ | 1 | 185.44 (0.659) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02020007 | Androstenedione | 309.1830 | [M+Na]+ | 1 | 203.71 (1.559) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010014 | Myristic Acid | 309.2048 | [M-H+CH3COONa] | -1 | 196.71 (0.761) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010014 | Myristic Acid | 309.2048 | [M-H+CH3COONa] | -1 | 179.08 (0.499) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030085 | cis-gondoic acid | 309.2793 | [M-H]- | -1 | 183.08 (0.209) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030085 | cis-gondoic acid | 309.2799 | [M-H]- | -1 | 184.29 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMPK12140002 | Eriodictyol | 311.0532 | [M+Na]+ | 1 | 168.88 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000034 | 13-HpODE | 311.2228 | [M-H] | -1 | 255.41 (0.629) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010020 | Arachidic acid | 311.2953 | [M-H]- | -1 | 185.12 (0.214) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010020 | Arachidonic acid | 311.2956 | [M-H]- | -1 | 181.29 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010020 | Arachidic acid | 311.2956 | [M-H]- | -1 | 186.17 (0.1) | Agilent | 10.1021/acs.analchem.7b01729 |
LMPR0102010001 | Geranyl diphosphate | 313.0602 | [M-H]- | -1 | 167.16 (0.123) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPK12020001 | Catechin | 313.0688 | [M+Na]+ | 1 | 182.69 (0.253) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000161 | 9(10)-DiHOME | 313.2385 | [M-H] | -1 | 175.83 (0.191) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000161 | 9(10)-DiHOME | 313.2385 | [M-H] | -1 | 189.24 (0.686) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000161 | 9(10)-DiHOME | 313.2385 | [M-H] | -1 | 255.37 (0.666) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000161 | 9(10)-DiHOME | 313.2385 | [M-H] | -1 | 216.08 (0.502) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12110002 | Isorhamnetin | 315.0505 | [M-H]- | -1 | 173.73 (0.29) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030159 | Progesterone | 315.2324 | [M+H]+ | 1 | 184.98 (0.654) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110002 | Isorhamnetin | 317.0661 | [M+H]+ | 1 | 194.07 (0.554) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000016 | 13-Oxo-ODE | 317.2093 | [M+Na]+ | 1 | 191.55 (0.635) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03000003 | 14(15)-EpETE | 317.2117 | [M-H]- | -1 | 183.90 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070009 | 15(S)-HEPE | 317.2117 | [M-H]- | -1 | 183.07 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060051 | 15-OxoETE | 317.2117 | [M-H]- | -1 | 183.13 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-OxoETE | 317.2117 | [M-H]- | -1 | 185.13 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060019 | 15-oxo-ETE | 317.2123 | [M-H] | -1 | 180.99 (0.162) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03070002 | 8-HEPE | 317.2123 | [M-H] | -1 | 181.92 (0.29) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03070002 | 8-HEPE | 317.2123 | [M-H] | -1 | 257.98 (0.325) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03070002 | 8-HEPE | 317.2123 | [M-H] | -1 | 203.15 (0.327) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST02030088 | Pregnenolone | 317.2480 | [M+H]+ | 1 | 175.58 (0.99) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110001 | Myricetin | 319.0454 | [M+H]+ | 1 | 192.08 (0.806) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060002 | 5(S)-HETE | 319.2235 | [M-H]- | -1 | 186.27 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060006 | 8(S)-HETE | 319.2235 | [M-H]- | -1 | 184.14 (0.252) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060007 | 12(S)-HETE | 319.2235 | [M-H]- | -1 | 183.9 (1.056) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060008 | 12(R)-HETE | 319.2235 | [M-H]- | -1 | 183.18 (0.173) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03080003 | 8(9)-EET | 319.2235 | [M-H]- | -1 | 183.71 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03080005 | 14,15-Epoxyeicosatrienoic acid | 319.2235 | [M-H]- | -1 | 186.67 (0.173) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03090011 | 11,12-Epoxyeicosatrienoic acid | 319.2235 | [M-H]- | -1 | 184.08 (0.361) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000151 | 9-HODE | 319.2249 | [M+Na]+ | 1 | 188.2 (0.855) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000155 | alpha-artemisic acid | 319.2249 | [M+Na]+ | 1 | 190.02 (1.315) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060001 | 15(S)-HETE | 319.2273 | [M-H]- | -1 | 184.77 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03000003 | 14(15)-EpETE | 319.2273 | [M+H]+ | 1 | 179.72 (0.14) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060030 | 15(R)-HETE | 319.2273 | [M-H]- | -1 | 184.77 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03080005 | 14,15-EpETrE | 319.2273 | [M-H]- | -1 | 184.40 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060002 | 5(S)-HETE | 319.2273 | [M-H]- | -1 | 184.83 (0.23) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-Oxo-ETE | 319.2273 | [M+H]+ | 1 | 185.67 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060051 | 15-OxoETE | 319.2273 | [M+H]+ | 1 | 180.67 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060003 | 11-HETE | 319.2279 | [M-H] | -1 | 260.88 (0.081) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 319.2279 | [M-H] | -1 | 183.12 (0.296) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 319.2279 | [M-H] | -1 | 178.17 (0.099) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 319.2279 | [M-H] | -1 | 244.65 (2.956) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 319.2279 | [M-H] | -1 | 219.41 (0.247) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080003 | 8(9)-EET | 319.2279 | [M-H] | -1 | 257.67 (0.699) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080003 | 8(9)-EET | 319.2279 | [M-H] | -1 | 191.31 (1.167) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080003 | 8(9)-EET | 319.2279 | [M-H] | -1 | 179.39 (0.485) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080002 | 5(6)-EET | 319.2279 | [M-H] | -1 | 180.95 (0.3) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 319.2279 | [M-H] | -1 | 198.04 (2.531) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03090010 | 11(12)-EET | 319.2279 | [M-H] | -1 | 192.1 (1.546) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03090010 | 11(12)-EET | 319.2279 | [M-H] | -1 | 179.75 (0.158) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 319.2279 | [M-H] | -1 | 260.75 (0.43) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080002 | 5(6)-EET | 319.2279 | [M-H] | -1 | 261.84 (0.424) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080002 | 5(6)-EET | 319.2279 | [M-H] | -1 | 257.12 (0.482) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 319.2279 | [M-H] | -1 | 206.28 (0.315) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 319.2279 | [M-H] | -1 | 191.6 (0.226) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 319.2279 | [M-H] | -1 | 220.42 (0.745) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 319.2279 | [M-H] | -1 | 222.08 (0.361) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03090010 | 11(12)-EET | 319.2279 | [M-H] | -1 | 217.1 (0.756) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 319.2279 | [M-H] | -1 | 202.4 (1.021) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 319.2279 | [M-H] | -1 | 260.18 (0.463) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 319.2279 | [M-H] | -1 | 182.26 (0.049) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03090010 | 11(12)-EET | 319.2279 | [M-H] | -1 | 257.49 (0.529) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 319.2279 | [M-H] | -1 | 178.86 (0.236) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 319.2279 | [M-H] | -1 | 193.65 (0.601) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 319.2279 | [M-H] | -1 | 204.93 (0.28) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060003 | 11-HETE | 319.2279 | [M-H] | -1 | 181.06 (0.092) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 319.2279 | [M-H] | -1 | 220.24 (0.559) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 319.2279 | [M-H] | -1 | 241.99 (1.556) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 319.2279 | [M-H] | -1 | 260.93 (0.342) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 319.2279 | [M-H] | -1 | 180.67 (0.134) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 319.2279 | [M-H] | -1 | 259.62 (0.142) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 319.2279 | [M-H] | -1 | 218.54 (0.148) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 319.2279 | [M-H] | -1 | 259.14 (0.354) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 319.2279 | [M-H] | -1 | 198.46 (0.12) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 319.2279 | [M-H] | -1 | 191.46 (0.134) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080005 | 14,15-Epoxyeicosatrienoic acid | 321.2391 | [M+H]+ | 1 | 185.31 (0.416) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01060073 | 15-oxo-EDE | 321.2436 | [M-H] | -1 | 193.58 (0.933) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01060073 | 15-oxo-EDE | 321.2436 | [M-H] | -1 | 262.94 (0.813) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050007 | 15-HETrE | 321.2436 | [M-H] | -1 | 183.87 (0.162) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01060073 | 15-oxo-EDE | 321.2436 | [M-H] | -1 | 182.2 (0.667) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050007 | 15-HETrE | 321.2436 | [M-H] | -1 | 222.1 (0.361) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050007 | 15-HETrE | 321.2436 | [M-H] | -1 | 196.35 (0.304) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050007 | 15-HETrE | 321.2436 | [M-H] | -1 | 262.55 (0.177) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST02010033 | 2-Methoxyestrone | 323.1623 | [M+Na]+ | 1 | 199.82 (0.232) | PNNL/Baker | 10.1039/C7SC03464D |
LMPR01090019 | Retinoic Acid | 323.1973 | [M+Na]+ | 1 | 139.2 (0.403) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMSP01020001 | Sphinganine | 324.2865 | [M+Na]+ | 1 | 191.05 (0.012) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPK12140003 | Hesperetin | 325.0688 | [M+Na]+ | 1 | 174.89 (0.307) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060051 | 15-OxoETE | 325.2355 | [M+Li]+ | 1 | 190.07 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070009 | 15(S)-HEPE | 325.2355 | [M+Li]+ | 1 | 184.86 (0.26) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-Oxo-ETE | 325.2355 | [M+Li]+ | 1 | 189.13 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03000003 | 14(15)-EpETE | 325.2355 | [M+Li]+ | 1 | 180.43 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA01030001 | Arachidonic acid | 327.2300 | [M+Na]+ | 1 | 180.07 (0.201) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030185 | Docosahexaenoic Acid | 327.2317 | [M-H]- | -1 | 190.17 (0.612) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030185 | Docosahexaenoic Acid | 327.233 | [M-H] | -1 | 185.04 (0.247) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030185 | Docosahexaenoic Acid | 327.233 | [M-H] | -1 | 224.3 (2.086) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030185 | Docosahexaenoic Acid | 327.233 | [M-H] | -1 | 260.97 (1.174) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080005 | 14,15-EpETrE | 327.2511 | [M+Li]+ | 1 | 183.47 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060001 | 15(S)-HETE | 327.2511 | [M+Li]+ | 1 | 191.34 (0.24) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060030 | 15(R)-HETE | 327.2511 | [M+Li]+ | 1 | 191.64 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST02030161 | 17alpha-hydroxyprogesterone | 329.2117 | [M-H]- | -1 | 186.71 (1.293) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030158 | bishomo-gamma-linolenic acid | 329.2456 | [M+Na]+ | 1 | 181.58 (0.419) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030185 | Docosahexaenoic acid | 329.2474 | [M+H]+ | 1 | 182.89 (0.307) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12010004 | Malvidin | 331.0818 | [M*]+ | 1 | 176.88 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030161 | 17alpha-hydroxyprogesterone | 331.2273 | [M+H]+ | 1 | 185.81 (0.878) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01031043 | Dihomolinoleic acid | 331.2613 | [M+Na]+ | 1 | 182.32 (0.907) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030178 | Adrenic Acid | 331.2630 | [M-H]- | -1 | 189.97 (1.679) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010035 | PGA2 | 333.2066 | [M-H]- | -1 | 185.47 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010019 | PGJ2 | 333.2066 | [M-H]- | -1 | 189.05 (0.25) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010019 | PGJ2 | 333.2072 | [M-H] | -1 | 262.89 (0.275) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010019 | PGJ2 | 333.2072 | [M-H] | -1 | 221.82 (0.191) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010019 | PGJ2 | 333.2072 | [M-H] | -1 | 185.06 (0.127) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020024 | 12-oxo-LTB4 | 333.2072 | [M-H] | -1 | 182.44 (0.948) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST02030167 | 2,1-Hydroxypregnenolone | 333.2430 | [M+H]+ | 1 | 188.73 (1.307) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030089 | 17alpha-Hydroxypregnenolone | 333.2430 | [M+H]+ | 1 | 188.66 (1.387) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030085 | cis-gondoic acid | 333.2769 | [M+Na]+ | 1 | 186.8 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030178 | Adrenic Acid | 333.2787 | [M+H]+ | 1 | 188.47 (0.201) | PNNL/Baker | 10.1039/C7SC03464D |
LMPR0102010001 | Geranyl diphosphate | 335.0431 | [M-2H+Na]- | -1 | 173.81 (0.045) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030055 | Palmitoleic Acid | 335.2204 | [M-H+CH3COONa] | -1 | 185.68 (1.051) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020001 | Leukotriene B4 | 335.2222 | [M-H]- | -1 | 186.51 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060101 | 5(S),12(S)-DiHETE | 335.2223 | [M-H]- | -1 | 184.43 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010005 | PGA1 | 335.2223 | [M-H]- | -1 | 184.17 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03020001 | LTB4 [5(S),12(R)-DiHETE)] | 335.2223 | [M-H]- | -1 | 184.47 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060050 | 8(S),15(S)-DiHETE | 335.2223 | [M-H]- | -1 | 187.33 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060014 | 15(S)-HpETE | 335.2223 | [M-H]- | -1 | 185.98 (0.27) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03020001 | LTB4 | 335.2228 | [M-H] | -1 | 202.52 (0.067) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020001 | LTB4 | 335.2228 | [M-H] | -1 | 222.7 (1.28) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020001 | LTB4 | 335.2228 | [M-H] | -1 | 182.81 (0.05) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020001 | LTB4 | 335.2228 | [M-H] | -1 | 245 (0.262) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020001 | LTB4 | 335.2228 | [M-H] | -1 | 266.81 (0.23) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020001 | LTB4 | 335.2228 | [M-H] | -1 | 194.61 (0.417) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010020 | Arachidonic acid | 335.2920 | [M+Na]+ | 1 | 198.9 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030159 | Progesterone | 337.2143 | [M+Na]+ | 1 | 167.45 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010001 | Palmitic Acid | 337.2361 | [M-H+CH3COONa] | -1 | 187.41 (0.233) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050008 | 11(12)-DHET | 337.2385 | [M-H] | -1 | 181.89 (0.275) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050004 | 5,6-DHET | 337.2385 | [M-H] | -1 | 222.04 (0.042) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050004 | 5,6-DHET | 337.2385 | [M-H] | -1 | 181.79 (0.067) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050006 | 8,9-DHET | 337.2385 | [M-H] | -1 | 263.94 (0.268) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050008 | 11(12)-DHET | 337.2385 | [M-H] | -1 | 221.58 (0.41) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050008 | 11(12)-DHET | 337.2385 | [M-H] | -1 | 264.09 (0.396) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050006 | 8,9-DHET | 337.2385 | [M-H] | -1 | 182.41 (0.102) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050006 | 8,9-DHET | 337.2385 | [M-H] | -1 | 221.54 (0.233) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050004 | 5,6-DHET | 337.2385 | [M-H] | -1 | 264.61 (0.049) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12110002 | Isorhamnetin | 339.0481 | [M+Na]+ | 1 | 171.33 (0.353) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030088 | Pregnenolone | 339.230 | [M+Na]+ | 1 | 214.13 (0.99) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110001 | Myricetin | 341.0273 | [M+Na]+ | 1 | 172.76 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA12000118 | Heptan-4-one | 341.1825 | [M+H]2+ | 2 | 120.99 (2.667) | McLean/AB | 10.1039/C8SC04396E |
LMFA03060051 | 15-OxoETE | 341.2093 | [M+Na]+ | 1 | 190.17 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070009 | 15(S)-HEPE | 341.2093 | [M+Na]+ | 1 | 183.37 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-Oxo-ETE | 341.2093 | [M+Na]+ | 1 | 186.60 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03000003 | 14(15)-EpETE | 341.2093 | [M+Na]+ | 1 | 181.43 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060101 | 5(S),12(S)-DiHETE | 341.2093 | [M+Na-H2O]+ | 1 | 186.73 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010035 | PGA2 | 341.2304 | [M+Li]+ | 1 | 195.97 (0.21) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010019 | PGJ2 | 341.2304 | [M+Li]+ | 1 | 189.07 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMPK12110880 | Tricetin 3',4',5'-trimethyl ether | 343.0818 | [M-H]- | -1 | 190.71 (1.046) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03080005 | 14,15-Epoxyeicosatrienoic acid | 343.2211 | [M+Na]+ | 1 | 180.72 (0.231) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03080003 | 8(9)-EET | 343.2211 | [M+Na]+ | 1 | 185.9 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03090011 | 11,12-Epoxyeicosatrienoic acid | 343.2211 | [M+Na]+ | 1 | 186.1 (0.208) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060006 | 8(S)-HETE | 343.2211 | [M+Na]+ | 1 | 186.23 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060002 | 5(S)-HETE | 343.2211 | [M+Na]+ | 1 | 186.44 (0.894) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060007 | 12(S)-HETE | 343.2211 | [M+Na]+ | 1 | 191.52 (0.823) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060008 | 12(R)-HETE | 343.2211 | [M+Na]+ | 1 | 192.57 (0) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03080005 | 14,15-EpETrE | 343.2249 | [M+Na]+ | 1 | 184.47 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060001 | 15(S)-HETE | 343.2249 | [M+Na]+ | 1 | 189.56 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060030 | 15(R)-HETE | 343.2249 | [M+Na]+ | 1 | 189.52 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA04000058 | 14(S)-HDHA | 343.2273 | [M-H]- | -1 | 189.29 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04000012 | 17(S)-HDHA | 343.2273 | [M-H]- | -1 | 193.87 (0.302) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04000025 | 7-HDoHE | 343.2279 | [M-H] | -1 | 206.8 (0.092) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA04000025 | 7-HDoHE | 343.2279 | [M-H] | -1 | 266.2 (0.092) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA04000012 | 17-HDoHE | 343.2279 | [M-H] | -1 | 187.4 (0.747) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA04000029 | 13-HDoHE | 343.2279 | [M-H] | -1 | 187.4 (0.747) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA04000025 | 7-HDoHE | 343.2279 | [M-H] | -1 | 185.95 (0.598) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060101 | 5(S),12(S)-DiHETE | 343.2461 | [M+Li]+ | 1 | 189.07 (0.21) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010005 | PGA1 | 343.2461 | [M+Li]+ | 1 | 197.67 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060050 | 8(S),15(S)-DiHETE | 343.2461 | [M+Li]+ | 1 | 192.03 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA07070062 | Dodecanoylcarnitine | 344.2782 | [M+H]+ | 1 | 199 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07070062 | Dodecanoylcarnitine | 344.2801 | [M+H]+ | 1 | 199.57 (0.252) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110880 | Tricetin 3',4',5'-trimethyl ether | 345.0974 | [M+H]+ | 1 | 183.85 (0.201) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030186 | Corticosterone | 345.2043 | [M-H]- | -1 | 186.8 (0.322) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030086 | 11-deoxycortisol | 347.2205 | [M+H]+ | 1 | 187.68 (0.068) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030186 | Corticosterone | 347.2208 | [M+H]+ | 1 | 186.88 (0.355) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
- | Carbocyclic Thromboxane A2 | 347.2586 | [M-H]- | -1 | 200.1 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010010 | PGH2 | 351.2171 | [M-H]- | -1 | 189.88 (0.513) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010004 | PGD2 | 351.2171 | [M-H]- | -1 | 189.12 (0.208) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010087 | Prostaglandin I2 | 351.2171 | [M-H]- | -1 | 191.61 (0.513) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03040001 | Lipoxin A4 | 351.2171 | [M-H]- | -1 | 193.03 (1.293) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010004 | PGD2 | 351.2177 | [M-H] | -1 | 183.89 (0.59) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010004 | PGD2 | 351.2177 | [M-H] | -1 | 198.33 (0.311) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010003 | PGE2 | 351.2177 | [M-H] | -1 | 185.05 (0.901) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010003 | PGE2 | 351.2177 | [M-H] | -1 | 193.04 (0.007) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010004 | PGD2 | 351.2177 | [M-H] | -1 | 266.74 (2.135) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010003 | PGE2 | 351.2177 | [M-H] | -1 | 221.07 (0.884) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010003 | PGE2 | 351.2177 | [M-H] | -1 | 261.39 (1.747) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030185 | Docosahexaenoic acid | 351.2293 | [M+Na]+ | 1 | 183.32 (0.406) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030161 | 17alpha-hydroxyprogesterone | 353.2093 | [M+Na]+ | 1 | 208.28 (1.437) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010134 | PGE1 | 353.2328 | [M-H]- | -1 | 190.23 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2alpha | 353.2328 | [M-H]- | -1 | 193.8 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010041 | 15R-PGF2alpha | 353.2328 | [M-H]- | -1 | 192.4 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010087 | Prostaglandin I2 | 353.2328 | [M+H]+ | 1 | 199.18 (0.252) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03110030 | 8-iso-15(R)-PGF2alpha | 353.2328 | [M-H]- | -1 | 197.41 (0.2) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010036 | 11B-PGF2a | 353.2328 | [M-H]- | -1 | 193.2 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03110011 | 5-iPF2alpha-VI | 353.2328 | [M-H]- | -1 | 194 (0.416) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010025 | PGF2β | 353.2328 | [M-H]- | -1 | 189.73 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2α | 353.2328 | [M-H]- | -1 | 190.87 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03110001 | 15-F2t-IsoP | 353.2328 | [M-H]- | -1 | 196.27 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010002 | PGF2-alpha | 353.2334 | [M-H] | -1 | 264.92 (0.41) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010002 | PGF2-alpha | 353.2334 | [M-H] | -1 | 187.65 (0.13) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03110001 | 8-iso-PGF2-alpha | 353.2334 | [M-H] | -1 | 224.15 (0.884) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03110001 | 8-iso-PGF2-alpha | 353.2334 | [M-H] | -1 | 266.34 (0.078) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03110001 | 8-iso-PGF2-alpha | 353.2334 | [M-H] | -1 | 252.54 (1.386) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03110001 | 8-iso-PGF2-alpha | 353.2334 | [M-H] | -1 | 191.54 (0.042) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010023 | Tricosylic acid | 353.3407 | [M-H]- | -1 | 196.88 (0.095) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030167 | 2,1-Hydroxypregnenolone | 355.2249 | [M+Na]+ | 1 | 208.65 (1.957) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030089 | 17alpha-Hydroxypregnenolone | 355.2249 | [M+Na]+ | 1 | 208.52 (1.868) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030178 | Adrenic Acid | 355.2606 | [M+Na]+ | 1 | 191.87 (1.159) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03000003 | 14(15)-EpETE | 357.1832 | [M+K]+ | 1 | 184.30 (0.20) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-Oxo-ETE | 357.1832 | [M+K]+ | 1 | 189.50 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060051 | 15-OxoETE | 357.1832 | [M+K]+ | 1 | 192.77 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010035 | PGA2 | 357.2042 | [M+Na]+ | 1 | 195.57 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010019 | PGJ2 | 357.2042 | [M+Na]+ | 1 | 187.73 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA01030169 | Stearidonic Acid | 357.2048 | [M-H+CH3COONa] | -1 | 221.98 (0.863) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030169 | Stearidonic Acid | 357.2048 | [M-H+CH3COONa] | -1 | 202.38 (0.061) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030169 | Stearidonic Acid | 357.2048 | [M-H+CH3COONa] | -1 | 187.89 (0.144) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGL01010005 | Oleoyl-glycerol | 357.2985 | [M+H]+ | 1 | 202.78 (0.3) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030090 | Cortisone | 359.1840 | [M-H]- | -1 | 191.39 (0.062) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030026 | Aldosterone | 359.1858 | [M-H]- | -1 | 187.37 (0.266) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03080005 | 14,15-EpETrE | 359.1988 | [M+K]+ | 1 | 186.87 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03020001 | Leukotriene B4 | 359.2198 | [M+Na]+ | 1 | 194.21 (0.302) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060014 | 15(S)-HpETE | 359.2199 | [M+Na]+ | 1 | 192.21 (0.09) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010005 | PGA1 | 359.2199 | [M+Na]+ | 1 | 197.10 (0.00) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060101 | 5(S),12(S)-DiHETE | 359.2199 | [M+Na]+ | 1 | 190.56 (0.03) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060050 | 8(S),15(S)-DiHETE | 359.2199 | [M+Na]+ | 1 | 194.73 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA01030152 | alpha-linolenic acid | 359.2204 | [M-H+CH3COONa] | -1 | 204.09 (0.118) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030152 | alpha-linolenic acid | 359.2204 | [M-H+CH3COONa] | -1 | 189.3 (0.188) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA04050003 | 7(S)-Maresin-1 | 359.2222 | [M-H]- | -1 | 192.54 (0.2) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04050001 | 7(R)-Maresin-1 | 359.2222 | [M-H]- | -1 | 192.57 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010004 | PGD2 | 359.241 | [M+Li]+ | 1 | 194.43 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010003 | PGE2 | 359.241 | [M+Li]+ | 1 | 198.33 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST02030090 | Cortisone | 361.2008 | [M+H]+ | 1 | 188.32 (0.276) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030026 | Aldosterone | 361.2015 | [M+H]+ | 1 | 195.07 (0.266) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030001 | Cortisol | 361.2043 | [M-H]- | -1 | 191.9 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030120 | Linoleic Acid | 361.2361 | [M-H+CH3COONa] | -1 | 190.81 (0.158) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030120 | Linoleic Acid | 361.2361 | [M-H+CH3COONa] | -1 | 205.6 (0.068) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010025 | PGF2β | 361.2566 | [M+Li]+ | 1 | 194.20 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010134 | PGE1 | 361.2566 | [M+Li]+ | 1 | 198.30 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2α | 361.2566 | [M+Li]+ | 1 | 201.70 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST02030001 | Cortisol | 363.2164 | [M+H]+ | 1 | 188.6 (0.189) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030001 | Cortisol | 363.2166 | [M+H]+ | 1 | 189.31 (0.379) | McLean/JCMay | 10.1039/C8SC04396E |
LMFA01030002 | Oleic Acid | 363.2517 | [M-H+CH3COONa] | -1 | 192.35 (0.729) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030002 | Oleic Acid | 363.2517 | [M-H+CH3COONa] | -1 | 207.24 (0.697) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030092 | Nervonic acid | 365.3405 | [M-H]- | -1 | 197.48 (0.159) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07070062 | Dodecanoylcarnitine | 366.2599 | [M+Na]+ | 1 | 209.4 (0.209) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07070062 | Dodecanoylcarnitine | 366.2620 | [M+Na]+ | 1 | 215.46 (0.361) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12110880 | Tricetin 3',4',5'-trimethyl ether | 367.0794 | [M+Na]+ | 1 | 208.02 (0.253) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03030016 | Thromboxane B3 | 367.2121 | [M-H]- | -1 | 190.18 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010009 | PGG2 | 367.2121 | [M-H]- | -1 | 193.33 (0.265) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04000058 | 14(S)-HDHA | 367.2249 | [M+Na]+ | 1 | 188.28 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04000012 | 17(S)-HDHA | 367.2249 | [M+Na]+ | 1 | 189.73 (0.697) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010024 | Lignoceric acid | 367.3576 | [M-H]- | -1 | 199.6 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01010024 | Lignoceric acid | 367.3582 | [M-H]- | -1 | 201.11 (0.058) | Agilent | 10.1021/acs.analchem.7b01729 |
LMST02030086 | 11-deoxycortisol | 369.2023 | [M+Na]+ | 1 | 210.98 (0.199) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030186 | Corticosterone | 369.2026 | [M+Na]+ | 1 | 211.83 (0.41) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA03030002 | Thromboxane B2 | 369.2277 | [M-H]- | -1 | 193.47 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010001 | 6-keto-PGF1alpha | 369.2277 | [M-H]- | -1 | 195.72 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010001 | 6-keto-PGF1-alpha | 369.2283 | [M-H] | -1 | 215.24 (0.12) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010001 | 6-keto-PGF1-alpha | 369.2283 | [M-H] | -1 | 191.12 (0.056) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Carbocyclic Thromboxane A2 | 371.2562 | [M+Na]+ | 1 | 201.69 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12111443 | Tangeretin | 373.1287 | [M+H]+ | 1 | 186.14 (0) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010035 | PGA2 | 373.1781 | [M+K]+ | 1 | 194.17 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010019 | PGJ2 | 373.1781 | [M+K]+ | 1 | 189.03 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010005 | PGA1 | 375.1938 | [M+K]+ | 1 | 196.03 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060050 | 8(S),15(S)-DiHETE | 375.1938 | [M+K]+ | 1 | 196.00 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060101 | 5(S),12(S)-DiHETE | 375.1938 | [M+K]+ | 1 | 194.93 (0.09) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03040001 | Lipoxin A4 | 375.2147 | [M+Na]+ | 1 | 196.03 (0.253) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010010 | PGH2 | 375.2147 | [M+Na]+ | 1 | 200.73 (0.306) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010004 | PGD2 | 375.2147 | [M+Na]+ | 1 | 194.79 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010087 | Prostaglandin I2 | 375.2147 | [M+Na]+ | 1 | 194.82 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010004 | PGD2 | 375.2148 | [M+Na]+ | 1 | 192.63 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010003 | PGE2 | 375.2148 | [M+Na]+ | 1 | 196.05 (0.09) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA04030001 | Resolvin D2 | 375.2171 | [M-H]- | -1 | 139.2 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04030011 | Resolvin D1 | 375.2171 | [M-H]- | -1 | 139.2 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010003 | Lithocholic acid | 375.2899 | [M-H]- | -1 | 199.34 (0.289) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010003 | Lithocholic acid | 375.2904 | [M-H]- | -1 | 203.13 (0.283) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA03010002 | PGF2alpha | 377.2304 | [M+Na]+ | 1 | 203.77 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010134 | PGE1 | 377.2304 | [M+Na]+ | 1 | 197.17 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010041 | 15R-PGF2alpha | 377.2304 | [M+Na]+ | 1 | 203.74 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03110030 | 8-iso-15(R)-PGF2alpha | 377.2304 | [M+Na]+ | 1 | 199.77 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010036 | 11B-PGF2a | 377.2304 | [M+Na]+ | 1 | 198.32 (0.173) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03110011 | 5-iPF2alpha-VI | 377.2304 | [M+Na]+ | 1 | 203.6 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010025 | PGF2β | 377.2304 | [M+Na]+ | 1 | 194.30 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2α | 377.2304 | [M+Na]+ | 1 | 202.97 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03110001 | 15-F2t-IsoP | 377.2304 | [M+Na]+ | 1 | 198.04 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000037 | 9(10)-EpOME | 377.231 | [M-H+CH3COONa] | -1 | 207.16 (0.13) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000038 | 12(13)-EpOME | 377.231 | [M-H+CH3COONa] | -1 | 192.07 (0.831) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000038 | 12(13)-EpOME | 377.231 | [M-H+CH3COONa] | -1 | 206.76 (0.58) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000035 | 13-HODE | 377.231 | [M-H+CH3COONa] | -1 | 195.38 (0.371) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000037 | 9(10)-EpOME | 377.231 | [M-H+CH3COONa] | -1 | 192.43 (0.263) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010023 | Tricosylic acid | 377.3368 | [M+Na]+ | 1 | 204.8 (0.794) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGL01010005 | Oleoyl-glycerol | 379.2805 | [M+Na]+ | 1 | 197.27 (0.481) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030090 | Cortisone | 383.1809 | [M+Na]+ | 1 | 213.16 (0.407) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030026 | Aldosterone | 383.1834 | [M+Na]+ | 1 | 203.07 (0.101) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04050003 | 7(S)-Maresin-1 | 383.2198 | [M+Na]+ | 1 | 194.96 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04050001 | 7(R)-Maresin-1 | 383.2198 | [M+Na]+ | 1 | 193.53 (0.3) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030759 | Eicosapentaenoic Acid | 383.2204 | [M-H+CH3COONa] | -1 | 207.86 (0.245) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030759 | Eicosapentaenoic Acid | 383.2204 | [M-H+CH3COONa] | -1 | 193.35 (0.36) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST02030186 | Corticosterone | 385.1789 | [M+K]+ | 1 | 208.41 (0.468) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST02030001 | Cortisol | 385.1985 | [M+Na]+ | 1 | 214.02 (0.578) | McLean/JCMay | 10.1039/C8SC04396E |
LMST02030001 | Cortisol | 385.1990 | [M+Na]+ | 1 | 212.9 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030001 | Arachidonic Acid | 385.2361 | [M-H+CH3COONa] | -1 | 209.28 (0.141) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030001 | Arachidonic Acid | 385.2361 | [M-H+CH3COONa] | -1 | 194.7 (0.172) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPR0102070002 | Secologanin | 387.1291 | [M-H]- | -1 | 190.64 (0.572) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030158 | Dihomo-gamma-Linolenic Acid | 387.2517 | [M-H+CH3COONa] | -1 | 196.28 (0.109) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030158 | Dihomo-gamma-Linolenic Acid | 387.2517 | [M-H+CH3COONa] | -1 | 210.74 (0.122) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030092 | Nervonic acid | 389.3375 | [M+Na]+ | 1 | 204.38 (0.261) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA03010003 | PGE2 | 391.1887 | [M+K]+ | 1 | 196.26 (0.24) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010004 | PGD2 | 391.1887 | [M+K]+ | 1 | 193.37 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010009 | PGG2 | 391.2096 | [M+Na]+ | 1 | 197.43 (0.173) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03030016 | Thromboxane B3 | 391.2096 | [M+Na]+ | 1 | 195.48 (0.473) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010040 | Deoxycholic acid | 391.2844 | [M-H]- | -1 | 202.22 (0.167) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST04010040 | Deoxycholic acid | 391.2844 | [M-H]- | -1 | 202.22 (0.167) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST04010040 | Deoxycholic acid | 391.2853 | [M-H]- | -1 | 202.32 (0.068) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST04010040 | Deoxycholic acid | 391.2853 | [M-H]- | -1 | 202.32 (0.068) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST04010033 | Ursodeoxycholate | 391.2854 | [M-H]- | -1 | 200.88 (0.185) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01010024 | Lignoceric acid | 391.3552 | [M+Na]+ | 1 | 214.86 (0) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12060007 | Rotenone | 393.1338 | [M-H]- | -1 | 201.51 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010025 | PGF2β | 393.2043 | [M+K]+ | 1 | 194.87 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2α | 393.2043 | [M+K]+ | 1 | 198.97 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010134 | PGE1 | 393.2043 | [M+K]+ | 1 | 199.07 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010001 | 6-keto-PGF1alpha | 393.2253 | [M+Na]+ | 1 | 203.15 (0.493) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03030002 | Thromboxane B2 | 393.2253 | [M+Na]+ | 1 | 200.18 (0) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000034 | 13-HpODE | 393.2259 | [M-H+CH3COONa] | -1 | 194.5 (0.961) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12111443 | Tangeretin | 395.1107 | [M+Na]+ | 1 | 206.19 (0.232) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060051 | 15-OxoETE | 395.1391 | [M-H+2K]+ | 1 | 201.20 (0.17) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-Oxo-ETE | 395.1391 | [M-H+2K]+ | 1 | 199.60 (0.00) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03000003 | 14(15)-EpETE | 395.1391 | [M-H+2K]+ | 1 | 191.40 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070009 | 15(S)-HEPE | 395.1391 | [M-H+2K]+ | 1 | 193.87 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMPK12060007 | Rotenone | 395.1495 | [M+H]+ | 1 | 211.17 (0.654) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05020014 | Pregnenolone sulfate | 395.1910 | [M-H]- | -1 | 206.2 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA02000161 | 9(10)-DiHOME | 395.2416 | [M-H+CH3COONa] | -1 | 194.25 (0.594) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15(S)-HETE | 397.1547 | [M-H+2K]+ | 1 | 199.07 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03080005 | 14,15-EpETrE | 397.1547 | [M-H+2K]+ | 1 | 195.63 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060030 | 15(R)-HETE | 397.1547 | [M-H+2K]+ | 1 | 199.03 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060002 | 5(S)-HETE | 397.1547 | [M-H+2K]+ | 1 | 199.63 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA04030001 | Resolvin D2 | 399.2147 | [M+Na]+ | 1 | 198.72 (0.141) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA04030011 | Resolvin D1 | 399.2147 | [M+Na]+ | 1 | 196.01 (0.231) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060051 | 15-OxoETE | 399.2148 | [M-H+CH3COONa]- | -1 | 200.40 (0.22) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-OxoETE | 399.2148 | [M-H+CH3COONa]- | -1 | 199.07 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03000003 | 14(15)-EpETE | 399.2148 | [M-H+CH3COONa]- | -1 | 198.17 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070009 | 15(S)-HEPE | 399.2148 | [M-H+CH3COONa]- | -1 | 201.03 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070007 | 12-HEPE | 399.2153 | [M-H+CH3COONa] | -1 | 198.09 (0.622) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060019 | 15-oxo-ETE | 399.2153 | [M-H+CH3COONa] | -1 | 194.7 (0.382) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA07070004 | Palmitoylcarnitine | 400.3385 | [M+H]+ | 1 | 213.9 (0.214) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07070004 | Palmitoylcarnitine | 400.3427 | [M+H]+ | 1 | 214.07 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMST02030001 | Cortisol | 401.1736 | [M+K]+ | 1 | 210.7 (0.211) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA03060002 | 5(S)-HETE | 401.2304 | [M-H+CH3COONa]- | -1 | 204.33 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060001 | 15(S)-HETE | 401.2304 | [M-H+CH3COONa]- | -1 | 202.77 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060030 | 15(R)-HETE | 401.2304 | [M-H+CH3COONa]- | -1 | 202.83 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03080005 | 14,15-EpETrE | 401.2304 | [M-H+CH3COONa]- | -1 | 199.47 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03090010 | 11(12)-EET | 401.231 | [M-H+CH3COONa] | -1 | 197.46 (0.225) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 401.231 | [M-H+CH3COONa] | -1 | 196.49 (0.191) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080003 | 8(9)-EET | 401.231 | [M-H+CH3COONa] | -1 | 211.19 (0.197) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080003 | 8(9)-EET | 401.231 | [M-H+CH3COONa] | -1 | 196.9 (0.76) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 401.231 | [M-H+CH3COONa] | -1 | 197.51 (0.197) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080002 | 5(6)-EET | 401.231 | [M-H+CH3COONa] | -1 | 211.62 (0.87) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080002 | 5(6)-EET | 401.231 | [M-H+CH3COONa] | -1 | 197.13 (0.234) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 401.231 | [M-H+CH3COONa] | -1 | 214.53 (0.226) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 401.231 | [M-H+CH3COONa] | -1 | 201.66 (0.231) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 401.231 | [M-H+CH3COONa] | -1 | 199.98 (0.318) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 401.231 | [M-H+CH3COONa] | -1 | 198.88 (0.271) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03090010 | 11(12)-EET | 401.231 | [M-H+CH3COONa] | -1 | 210.61 (0.515) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060003 | 11-HETE | 401.231 | [M-H+CH3COONa] | -1 | 197.31 (0.064) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST02030093 | Cortisol 21-acetate | 403.2149 | [M-H]- | -1 | 196.3 (0.196) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01060073 | 15-oxo-EDE | 403.2466 | [M-H+CH3COONa] | -1 | 196.3 (0.855) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050007 | 15-HETrE | 403.2466 | [M-H+CH3COONa] | -1 | 200.87 (0.187) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST02030093 | Cortisol 21-acetate | 405.2286 | [M+H]+ | 1 | 198.8 (0.199) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST04010088 | Ursocholic acid | 407.2798 | [M-H]- | -1 | 202.98 (0.624) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010067 | beta-muricholic acid | 407.2798 | [M-H]- | -1 | 200.92 (0.493) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010066 | alpha-muricholic acid | 407.2798 | [M-H]- | -1 | 205.3 (0.252) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010064 | Hyocholic acid | 407.2798 | [M-H]- | -1 | 203.88 (0.265) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010001 | Cholic acid | 407.2805 | [M-H]- | -1 | 203.14 (0.117) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030185 | Docosahexaenoic Acid | 409.2361 | [M-H+CH3COONa] | -1 | 213.63 (1.556) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030185 | Docosahexaenoic Acid | 409.2361 | [M-H+CH3COONa] | -1 | 199.39 (0.787) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010104 | PE(6:0/6:0) | 410.1944 | [M-H]- | -1 | 201.77 (0.464) | McLean | 10.1021/acs.analchem.6b01728 |
LMPR0102070002 | Secologanin | 411.1267 | [M+Na]+ | 1 | 190.16 (0.209) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP02010104 | PE(6:0/6:0) | 412.2100 | [M+H]+ | 1 | 202.92 (2.212) | McLean | 10.1021/acs.analchem.6b01728 |
LMPR0102070001 | Loganin | 413.1424 | [M+Na]+ | 1 | 193.81 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060101 | 5(S),12(S)-DiHETE | 413.1497 | [M-H+2K]+ | 1 | 201.33 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010005 | PGA1 | 413.1497 | [M-H+2K]+ | 1 | 202.07 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060014 | 15(S)-HpETE | 413.1497 | [M-H+2K]+ | 1 | 200.05 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060050 | 8(S),15(S)-DiHETE | 413.1497 | [M-H+2K]+ | 1 | 200.90 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010035 | PGA2 | 415.2097 | [M-H+CH3COONa]- | -1 | 202.87 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010019 | PGJ2 | 415.2097 | [M-H+CH3COONa]- | -1 | 203.59 (0.22) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST04010033 | Ursodeoxycholate | 415.2815 | [M+Na]+ | 1 | 198.7 (0.115) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPR02020065 | gamma-tocopherol | 415.3569 | [M-H]- | -1 | 207.56 (0.265) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12060007 | Rotenone | 417.1314 | [M+Na]+ | 1 | 197.76 (0.496) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060014 | 15(S)-HpETE | 417.2254 | [M-H+CH3COONa]- | -1 | 203.26 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010005 | PGA1 | 417.2254 | [M-H+CH3COONa]- | -1 | 202.90 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060101 | 5(S),12(S)-DiHETE | 417.2254 | [M-H+CH3COONa]- | -1 | 208.03 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060050 | 8(S),15(S)-DiHETE | 417.2254 | [M-H+CH3COONa]- | -1 | 205.30 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03020001 | LTB4 [5(S),12(R)-DiHETE)] | 417.2254 | [M-H+CH3COONa]- | -1 | 206.18 (0.19) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03020001 | LTB4 | 417.2259 | [M-H+CH3COONa] | -1 | 203.22 (0.113) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPR02020065 | gamma-tocopherol | 417.3726 | [M+H]+ | 1 | 210.05 (0) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03050004 | 5,6-DHET | 419.2416 | [M-H+CH3COONa] | -1 | 201.03 (0.199) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050008 | 11(12)-DHET | 419.2416 | [M-H+CH3COONa] | -1 | 200.53 (0.501) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050008 | 11(12)-DHET | 419.2416 | [M-H+CH3COONa] | -1 | 215.88 (1.287) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050004 | 5,6-DHET | 419.2416 | [M-H+CH3COONa] | -1 | 215.77 (1.301) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050006 | 8,9-DHET | 419.2416 | [M-H+CH3COONa] | -1 | 200.34 (0.176) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01010012 | Lauric Acid | 421.33 | [2M-2H+Na]- | -1 | 214.16 (0.028) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA07070004 | Palmitoylcarnitine | 422.3201 | [M+Na]+ | 1 | 219.7 (0.439) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07070004 | Palmitoylcarnitine | 422.3246 | [M+Na]+ | 1 | 228.2 (0.173) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060051 | 15-OxoETE | 425.1245 | [M+Ag]+ | 1 | 186.63 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-Oxo-ETE | 425.1245 | [M+Ag]+ | 1 | 183.97 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070009 | 15(S)-HEPE | 425.1245 | [M+Ag]+ | 1 | 179.73 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03000003 | 14(15)-EpETE | 425.1245 | [M+Ag]+ | 1 | 178.63 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA04000029 | 13-HDoHE | 425.231 | [M-H+CH3COONa] | -1 | 203.15 (0.212) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA04000025 | 7-HDoHE | 425.231 | [M-H+CH3COONa] | -1 | 199.78 (1.036) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA04000012 | 17-HDoHE | 425.231 | [M-H+CH3COONa] | -1 | 203.15 (0.212) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA07070096 | Elaidic carnitine | 426.3583 | [M+H]+ | 1 | 226.45 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060001 | 15(S)-HETE | 427.1401 | [M+Ag]+ | 1 | 188.03 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060030 | 15(R)-HETE | 427.1401 | [M+Ag]+ | 1 | 187.97 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03080005 | 14,15-EpETrE | 427.1401 | [M+Ag]+ | 1 | 184.13 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060002 | 5(S)-HETE | 427.1401 | [M+Ag]+ | 1 | 186.27 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST02030093 | Cortisol 21-acetate | 427.2089 | [M+Na]+ | 1 | 203 (0.203) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPR02020001 | alpha-tocopherol | 429.3726 | [M-H]- | -1 | 208.56 (0.265) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010001 | Cholic acid | 431.2749 | [M+Na]+ | 1 | 197.52 (0.309) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMPR02020001 | alpha-tocopherol | 431.3883 | [M+H]+ | 1 | 213.33 (0.346) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010003 | PGE2 | 433.2203 | [M-H+CH3COONa]- | -1 | 202.57 (0.18) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010004 | PGD2 | 433.2203 | [M-H+CH3COONa]- | -1 | 201.93 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010003 | PGE2 | 433.2208 | [M-H+CH3COONa] | -1 | 198.44 (0.959) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010004 | PGD2 | 433.2208 | [M-H+CH3COONa] | -1 | 198.43 (0.77) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010104 | PE(6:0/6:0) | 434.1920 | [M+Na]+ | 1 | 208.36 (0.813) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03010134 | PGE1 | 435.2359 | [M-H+CH3COONa]- | -1 | 203.30 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2α | 435.2359 | [M-H+CH3COONa]- | -1 | 205.07 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010025 | PGF2β | 435.2359 | [M-H+CH3COONa]- | -1 | 203.33 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03110001 | 8-iso-PGF2-alpha | 435.2365 | [M-H+CH3COONa] | -1 | 202.75 (0.021) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010002 | PGF2-alpha | 435.2365 | [M-H+CH3COONa] | -1 | 202.07 (0.113) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020002 | Leukotriene E4 | 438.2314 | [M-H]- | -1 | 212.83 (0.4) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03020002 | Leukotriene E4 | 440.2471 | [M+H]+ | 1 | 225.76 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010019 | PGJ2 | 441.1194 | [M+Ag]+ | 1 | 191.93 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060101 | 5(S),12(S)-DiHETE | 443.1351 | [M+Ag]+ | 1 | 189.63 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST02030093 | Cortisol 21-acetate | 443.1849 | [M+K]+ | 1 | 207.2 (0.207) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST05030008 | Glycochenodeoxycholate | 448.3102 | [M-H]- | -1 | 200.7 (0.201) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07070096 | Elaidic carnitine | 448.3403 | [M+Na]+ | 1 | 216.68 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05030008 | Glycochenodeoxycholate | 450.3205 | [M+H]+ | 1 | 196.8 (0.197) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGP01011229 | PC(6:0/6:0) | 454.2570 | [M+H]+ | 1 | 215.36 (0.625) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03000003 | 14(15)-EpETE | 455.1169 | [M-H+Ba]+ | 1 | 185.90 (0.17) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03070009 | 15(S)-HEPE | 455.1169 | [M-H+Ba]+ | 1 | 186.80 (0.12) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060051 | 15-OxoETE | 455.1169 | [M-H+Ba]+ | 1 | 195.90 (0.24) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060011 | 5-Oxo-ETE | 455.1169 | [M-H+Ba]+ | 1 | 191.47 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST05020015 | Sulfolithocholic Acid | 455.2467 | [M-H]- | -1 | 211.14 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03060030 | 15(R)-HETE | 457.1325 | [M-H+Ba]+ | 1 | 196.95 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03080005 | 14,15-EpETrE | 457.1325 | [M-H+Ba]+ | 1 | 191.67 (0.21) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060002 | 5(S)-HETE | 457.1325 | [M-H+Ba]+ | 1 | 190.30 (0.17) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060001 | 15(S)-HETE | 457.1325 | [M-H+Ba]+ | 1 | 196.92 (0.20) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010004 | PGD2 | 459.13 | [M+Ag]+ | 1 | 196.90 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2α | 461.1456 | [M+Ag]+ | 1 | 197.73 (0.06) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010025 | PGF2β | 461.1456 | [M+Ag]+ | 1 | 197.60 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03020002 | Leukotriene E4 | 462.2290 | [M+Na]+ | 1 | 211.36 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05030001 | Glycocholic Acid | 464.3060 | [M-H]- | -1 | 202.2 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGP02010102 | PE(8:0/8:0) | 466.2570 | [M-H]- | -1 | 213.43 (0.363) | McLean | 10.1021/acs.analchem.6b01728 |
LMST05030001 | Glycocholic Acid | 466.3162 | [M+H]+ | 1 | 199.7 (0.2) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGP02010102 | PE(8:0/8:0) | 468.2726 | [M+H]+ | 1 | 220.28 (0.154) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01050012 | PC(14:0/0:0) | 468.3090 | [M+H]+ | 1 | 220.11 (0.2) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010035 | PGA2 | 471.1118 | [M-H+Ba]+ | 1 | 202.43 (0.23) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010019 | PGJ2 | 471.1118 | [M-H+Ba]+ | 1 | 198.78 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMST04010040 | Deoxycholic acid | 471.2417 | [M-H]- | -1 | 208.81 (0.116) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010033 | Ursodeoxycholic Acid | 471.2417 | [M-H]- | -1 | 207.94 (0.901) | PNNL/Baker | 10.1039/C7SC03464D |
LMST04010032 | Chenodeoxycholic Acid | 471.2417 | [M-H]- | -1 | 205.54 (0.253) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05030008 | Glycochenodeoxycholate | 472.3056 | [M+Na]+ | 1 | 203.6 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA03060101 | 5(S),12(S)-DiHETE | 473.1275 | [M-H+Ba]+ | 1 | 194.53 (0.21) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010005 | PGA1 | 473.1275 | [M-H+Ba]+ | 1 | 202.80 (0.10) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03060050 | 8(S),15(S)-DiHETE | 473.1275 | [M-H+Ba]+ | 1 | 200.47 (0.15) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMGP01011229 | PC(6:0/6:0) | 476.2389 | [M+Na]+ | 1 | 220.63 (0.794) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA01010014 | Myristic Acid | 477.3926 | [2M-2H+Na]- | -1 | 225.8 (1.064) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST05040018 | Lithocholyltaurine | 482.2954 | [M-H]- | -1 | 206.56 (0.023) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST04010001 | Cholic acid | 487.2366 | [M-H]- | -1 | 210.01 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05030001 | Glycocholic Acid | 488.2993 | [M+Na]+ | 1 | 202.2 (0.202) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA03010004 | PGD2 | 489.1224 | [M-H+Ba]+ | 1 | 205.90 (0.09) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010003 | PGE2 | 489.1224 | [M-H+Ba]+ | 1 | 205.49 (0.26) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMGP02010102 | PE(8:0/8:0) | 490.2546 | [M+Na]+ | 1 | 227.47 (0.887) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01050012 | PC(14:0/0:0) | 490.2909 | [M+Na]+ | 1 | 223.65 (0.252) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03010134 | PGE1 | 491.138 | [M-H+Ba]+ | 1 | 206.48 (0.16) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010002 | PGF2α | 491.138 | [M-H+Ba]+ | 1 | 207.74 (0.05) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03010025 | PGF2β | 491.138 | [M-H+Ba]+ | 1 | 205.74 (0.24) | DaSilva/Fedorova | 10.1021/acs.analchem.3c02213 |
LMFA03020006 | Leukotriene D4 | 495.2529 | [M-H]- | -1 | 225.11 (0.208) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03020006 | LTD4 | 495.2535 | [M-H] | -1 | 221.02 (0.17) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP01050018 | PC(16:0/0:0) | 496.3403 | [M+H]+ | 1 | 233.55 (0.404) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03020006 | Leukotriene D4 | 497.2685 | [M+H]+ | 1 | 232 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05030001 | Glycocholic Acid | 504.2694 | [M+K]+ | 1 | 208 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST05040018 | Lithocholyltaurine | 506.2897 | [M+Na]+ | 1 | 213.05 (0.291) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGP01060014 | PC(O-18:0/0:0) | 508.3767 | [M+H]+ | 1 | 236.13 (0.208) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01011251 | PC(8:0/8:0) | 510.3196 | [M+H]+ | 1 | 232.52 (1.116) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01011229 | PC(6:0/6:0) | 512.2624 | [M+CH3COO-]- | -1 | 233.76 (1.566) | McLean | 10.1021/acs.analchem.6b01728 |
LMST05030009 | Glycolithocholic Acid | 512.2682 | [M-H]- | -1 | 217.81 (0.209) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050018 | PC(16:0/0:0) | 518.3222 | [M+Na]+ | 1 | 230.65 (0.351) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA03020006 | Leukotriene D4 | 519.2505 | [M+Na]+ | 1 | 236.46 (0.2) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP02010101 | PE(10:0/10:0) | 522.3196 | [M-H]- | -1 | 225.89 (0.497) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01020046 | PC(O-16:0/2:0) | 522.3559 | [M-H]- | -1 | 230.45 (0.3) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050032 | PC(18:1(9Z)/0:0) | 522.3559 | [M+H]+ | 1 | 232.48 (0.253) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP02010101 | PE(10:0/10:0) | 524.3352 | [M+H]+ | 1 | 235.4 (0.4) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01010768 | PC(18:0/18:2(9Z,12Z)) | 524.3716 | [M+H]+ | 1 | 241.44 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050026 | PC(18:0/0:0) | 524.3716 | [M+H]+ | 1 | 240.78 (0.321) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01020046 | PC(O-16:0/2:0) | 524.3716 | [M+H]+ | 1 | 240.09 (1.212) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01020046 | PC(O-16:0/2:0) | 524.3716 | [M+H]+ | 1 | 239 (1.06) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05030006 | Glycodeoxycholic Acid | 528.2631 | [M-H]- | -1 | 217.85 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
- | 18:1 (d7) Lyso PC | 529.3992 | [M+H]+ | 1 | 237.94 (0.289) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA01030055 | Palmitoleic Acid | 529.4239 | [2M-2H+Na]- | -1 | 235.74 (0.481) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP01060014 | PC(O-18:0/0:0) | 530.3586 | [M+Na]+ | 1 | 234.74 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01011251 | PC(8:0/8:0) | 532.3015 | [M+Na]+ | 1 | 237.96 (1.095) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA01010001 | Palmitic Acid | 533.4552 | [2M-2H+Na]- | -1 | 240.1 (0.502) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMPK12040009 | Amentoflavone | 537.0822 | [M-H]- | -1 | 216.15 (0.209) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01010612 | PC(16:0/2:0) | 538.3509 | [M+H]+ | 1 | 234.05 (1.002) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050041 | PC(19:0/0:0) | 538.3872 | [M+H]+ | 1 | 241.81 (0.208) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01020078 | PC(O-17:0/2:0) | 538.3872 | [M+H]+ | 1 | 243.46 (0.115) | PNNL/Baker | 10.1039/C7SC03464D |
LMPK12040009 | Amentoflavone | 539.0978 | [M+H]+ | 1 | 229.02 (0.307) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05030001 | Glycocholic Acid | 544.2580 | [M-H]- | -1 | 218.21 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050032 | PC(18:1(9Z)/0:0) | 544.3379 | [M+Na]+ | 1 | 236 (0.768) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP02010101 | PE(10:0/10:0) | 546.3172 | [M+Na]+ | 1 | 242.92 (0.923) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01020046 | PC(O-16:0/2:0) | 546.3535 | [M+Na]+ | 1 | 238.54 (0.404) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050026 | PC(18:0/0:0) | 546.3535 | [M+Na]+ | 1 | 238.08 (0.289) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01020046 | PC(O-16:0/2:0) | 546.3535 | [M+Na]+ | 1 | 243.29 (1.803) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01010768 | PC(18:0/18:2(9Z,12Z)) | 546.3535 | [M+Na]+ | 1 | 239.99 (0.058) | PNNL/Baker | 10.1039/C7SC03464D |
- | Cer(d36:1) | 548.5406 | [M+H-H2O]+ | 1 | 259.28 (0.368) | McLean | 10.1021/ac4038448 |
- | 18:1 (d7) Lyso PC | 551.3811 | [M+Na]+ | 1 | 234.64 (0.265) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050045 | PC(20:0/0:0) | 552.4029 | [M+H]+ | 1 | 246.27 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01020094 | PC(O-18:0/2:0) | 552.4029 | [M+H]+ | 1 | 252.61 (0.361) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01010612 | PC(16:0/2:0) | 560.3328 | [M+Na]+ | 1 | 239.83 (1.323) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050041 | PC(19:0/0:0) | 560.3692 | [M+Na]+ | 1 | 239.79 (0.2) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01020078 | PC(O-17:0/2:0) | 560.3692 | [M+Na]+ | 1 | 249.4 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01010380 | PC(10:0/10:0) | 566.3809 | [M+H]+ | 1 | 247.3 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGP01010380 | PC(10:0/10:0) | 566.3822 | [M+H]+ | 1 | 247.53 (0.941) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01011251 | PC(8:0/8:0) | 568.3250 | [M+CH3COO-]- | -1 | 245.4 (2.16) | McLean | 10.1021/acs.analchem.6b01728 |
- | Cer(d36:0) | 568.5668 | [M+H]+ | 1 | 263.99 (0.359) | McLean | 10.1021/ac4038448 |
LMFA01030169 | Stearidonic Acid | 573.3926 | [2M-2H+Na]- | -1 | 241.37 (0.225) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP01020094 | PC(O-18:0/2:0) | 574.3848 | [M+Na]+ | 1 | 246.76 (0.2) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01050045 | PC(20:0/0:0) | 574.3848 | [M+Na]+ | 1 | 248.77 (0.666) | PNNL/Baker | 10.1039/C7SC03464D |
- | Cer(d38:1) | 576.5719 | [M+H-H2O]+ | 1 | 266.02 (0.387) | McLean | 10.1021/ac4038448 |
LMFA01030152 | alpha-linolenic acid | 577.4239 | [2M-2H+Na]- | -1 | 244.49 (0.204) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMST05040005 | Taurochenodeoxycholic Acid | 578.2457 | [M-H]- | -1 | 220.65 (0.819) | PNNL/Baker | 10.1039/C7SC03464D |
LMST05040013 | Taurodeoxycholic Acid | 578.2458 | [M-H]- | -1 | 220.68 (0.532) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP02010098 | PE(12:0/12:0) | 578.3822 | [M-H]- | -1 | 238.54 (0.739) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010098 | PE(12:0/12:0) | 580.3978 | [M+H]+ | 1 | 248.85 (1.045) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA01030120 | Linoleic Acid | 581.4552 | [2M-2H+Na]- | -1 | 247.71 (0.142) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030002 | Oleic Acid | 585.4865 | [2M-2H+Na]- | -1 | 250.1 (1.23) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP01010380 | PC(10:0/10:0) | 588.3616 | [M+Na]+ | 1 | 252.3 (0) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGP01010380 | PC(10:0/10:0) | 588.3641 | [M+Na]+ | 1 | 252.25 (1.135) | McLean | 10.1021/acs.analchem.6b01728 |
LMGL02010009 | Dipalmitoylglycerol | 591.4938 | [M+Na]+ | 1 | 252.13 (0.089) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMST05040001 | Taurocholic Acid | 594.2407 | [M-H]- | -1 | 220.88 (0.503) | PNNL/Baker | 10.1039/C7SC03464D |
- | Cer(d38:0) | 596.5981 | [M+H]+ | 1 | 269.48 (0.494) | McLean | 10.1021/ac4038448 |
LMPK14000003 | Cyclosporin A | 601.9253 | [M+2H]2+ | 2 | 195.98 (0.473) | McLean/AB | 10.1039/C8SC04396E |
LMGP02010098 | PE(12:0/12:0) | 602.3798 | [M+Na]+ | 1 | 253.71 (0.964) | McLean | 10.1021/acs.analchem.6b01728 |
- | Cer(d40:2) | 602.5876 | [M+H-H2O]+ | 1 | 269.58 (0.418) | McLean | 10.1021/ac4038448 |
- | Cer(d40:1) | 604.6032 | [M+H-H2O]+ | 1 | 271.54 (0.462) | McLean | 10.1021/ac4038448 |
LMGL02010009 | Dipalmitoylglycerol | 607.4658 | [M+K]+ | 1 | 254.95 (0.17) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA01030001 | Arachidonic Acid | 607.4732 | [2M-H]- | -1 | 249.73 (0.806) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:2) | 612.6083 | [M+H-2H2O]+ | 1 | 273.49 (0.41) | McLean | 10.1021/ac4038448 |
LMPK14000003 | Cyclosporin A | 612.9158 | [M+H+Na]2+ | 2 | 191.95 (0.421) | McLean/AB | 10.1039/C8SC04396E |
LMFA02000037 | 9(10)-EpOME | 613.445 | [2M-2H+Na]- | -1 | 250.97 (0.401) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000038 | 12(13)-EpOME | 613.445 | [2M-2H+Na]- | -1 | 249.53 (0.085) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA02000035 | 13-HODE | 613.445 | [2M-2H+Na]- | -1 | 252.75 (0.184) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:1) | 614.6240 | [M+H-2H2O]+ | 1 | 276.04 (0.887) | McLean | 10.1021/ac4038448 |
LMGP01010407 | PC(11:0/11:0) | 616.3954 | [M+Na]+ | 1 | 258.14 (0.241) | PNNL/Baker | 10.1039/C7SC03464D |
- | Cer(d41:1) | 618.6189 | [M+H-H2O]+ | 1 | 274.31 (0.497) | McLean | 10.1021/ac4038448 |
- | Cer(d40:2) | 620.5981 | [M+H]+ | 1 | 274.42 (0.329) | McLean | 10.1021/ac4038448 |
LMPK14000003 | Cyclosporin A | 620.9005 | [M+H+K]2+ | 2 | 186.32 (0.614) | McLean/AB | 10.1039/C8SC04396E |
LMPK14000003 | Cyclosporin A | 620.9005 | [M+H+K]2+ | 2 | 194.4 (0.501) | McLean/AB | 10.1039/C8SC04396E |
LMPK14000003 | Cyclosporin A | 620.9005 | [M+H+K]2+ | 2 | 180.74 (0.386) | McLean/AB | 10.1039/C8SC04396E |
LMGP01010429 | PC(12:0/12:0) | 622.4448 | [M+H]+ | 1 | 260.59 (1.068) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03020003 | Leukotriene C4 | 624.2955 | [M-H]- | -1 | 244.81 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP01010380 | PC(10:0/10:0) | 624.3876 | [M+CH3COO-]- | -1 | 256.36 (0.231) | McLean | 10.1021/acs.analchem.6b01728 |
- | Cer(d40:0) | 624.6294 | [M+H]+ | 1 | 276.2 (0.42) | McLean | 10.1021/ac4038448 |
LMFA01030759 | Eicosapentaenoic Acid | 625.4239 | [2M-2H+Na]- | -1 | 252 (0.21) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03020003 | Leukotriene C4 | 626.3111 | [M+H]+ | 1 | 254.85 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
LMFA02000161 | 9(10)-DiHOME | 627.4842 | [2M-H]- | -1 | 251.98 (0.841) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:3) | 628.6032 | [M+H-H2O]+ | 1 | 273.59 (0.132) | McLean | 10.1021/ac4038448 |
LMFA01030001 | Arachidonic Acid | 629.4552 | [2M-2H+Na]- | -1 | 254.17 (0.211) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP01050057 | PC(24:0/0:0) | 630.4474 | [M+Na]+ | 1 | 259.97 (0.321) | PNNL/Baker | 10.1039/C7SC03464D |
- | Cer(d42:2) | 630.6189 | [M+H-H2O]+ | 1 | 275.42 (0.392) | McLean | 10.1021/ac4038448 |
- | Cer(d42:1) | 632.6345 | [M+H-H2O]+ | 1 | 277.23 (0.469) | McLean | 10.1021/ac4038448 |
LMFA01030158 | Dihomo-gamma-Linolenic Acid | 633.4865 | [2M-2H+Na]- | -1 | 256.97 (0.168) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010352 | PE(14:0/14:0) | 634.4448 | [M-H]- | -1 | 250.76 (0.376) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03070002 | 8-HEPE | 635.4318 | [2M-H]- | -1 | 255.02 (0.598) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010352 | PE(14:0/14:0) | 636.4604 | [M+H]+ | 1 | 261.16 (1.462) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03060003 | 11-HETE | 639.4631 | [2M-H]- | -1 | 257.52 (0.076) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 639.4631 | [2M-H]- | -1 | 256.25 (0.142) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 639.4631 | [2M-H]- | -1 | 257.45 (0.364) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 639.4631 | [2M-H]- | -1 | 256.09 (0.585) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 639.4631 | [2M-H]- | -1 | 256.57 (0.444) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 639.4631 | [2M-H]- | -1 | 257.37 (0.474) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d40:0(OH)) | 640.6244 | [M+H]+ | 1 | 278.55 (0.48) | McLean | 10.1021/ac4038448 |
LMGP01010429 | PC(12:0/12:0) | 644.4267 | [M+Na]+ | 1 | 263.74 (1.108) | McLean | 10.1021/acs.analchem.6b01728 |
- | Cer(d43:2) | 644.6345 | [M+H-H2O]+ | 1 | 277.7 (0.447) | McLean | 10.1021/ac4038448 |
LMFA02000034 | 13-HpODE | 645.4348 | [2M-2H+Na]- | -1 | 254.05 (0.247) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:3) | 646.6138 | [M+H]+ | 1 | 277.35 (0.365) | McLean | 10.1021/ac4038448 |
LMST01020005 | 16:0 Cholesterol ester | 647.5704 | [M+Na]+ | 1 | 286.28 (0.396) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA03020003 | Leukotriene C4 | 648.2931 | [M+Na]+ | 1 | 258.12 (0.404) | PNNL/Baker | 10.1039/C7SC03464D |
- | Cer(d42:2) | 648.6294 | [M+H]+ | 1 | 278.96 (0.414) | McLean | 10.1021/ac4038448 |
LMFA02000161 | 9(10)-DiHOME | 649.4661 | [2M-2H+Na]- | -1 | 252.73 (0.446) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:1) | 650.6451 | [M+H]+ | 1 | 279.75 (0.392) | McLean | 10.1021/ac4038448 |
- | Cer(d42:0) | 652.6607 | [M+H]+ | 1 | 282.26 (0.429) | McLean | 10.1021/ac4038448 |
LMFA01030185 | Docosahexaenoic Acid | 655.4732 | [2M-H]- | -1 | 257.46 (0.789) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03070002 | 8-HEPE | 657.4137 | [2M-2H+Na]- | -1 | 256.53 (0.53) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010352 | PE(14:0/14:0) | 658.4424 | [M+Na]+ | 1 | 263.29 (0.869) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03080002 | 5(6)-EET | 661.445 | [2M-2H+Na]- | -1 | 259.12 (0.337) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060026 | 9-HETE | 661.445 | [2M-2H+Na]- | -1 | 258.29 (0.113) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03080003 | 8(9)-EET | 661.445 | [2M-2H+Na]- | -1 | 258.25 (0.475) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060003 | 11-HETE | 661.445 | [2M-2H+Na]- | -1 | 258.56 (0.076) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060001 | 15-HETE | 661.445 | [2M-2H+Na]- | -1 | 260.65 (0.45) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060002 | 5-HETE | 661.445 | [2M-2H+Na]- | -1 | 261.36 (0.426) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03090010 | 11(12)-EET | 661.445 | [2M-2H+Na]- | -1 | 257.92 (0.456) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060007 | 12-HETE | 661.445 | [2M-2H+Na]- | -1 | 259.74 (0.309) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03060006 | 8-HETE | 661.445 | [2M-2H+Na]- | -1 | 258.38 (0.542) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010106 | PE(15:0/15:0) | 662.4761 | [M-H]- | -1 | 256.28 (0.615) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010106 | PE(15:0/15:0) | 664.4917 | [M+H]+ | 1 | 267.34 (0.962) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03050007 | 15-HETrE | 665.4763 | [2M-2H+Na]- | -1 | 262.29 (0.53) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:1(OH)) | 666.6400 | [M+H]+ | 1 | 280.19 (0.31) | McLean | 10.1021/ac4038448 |
LMFA03010019 | PGJ2 | 667.4216 | [2M-H]- | -1 | 259.56 (0.286) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:0(OH)) | 668.6556 | [M+H]+ | 1 | 284.3 (0.389) | McLean | 10.1021/ac4038448 |
LMFA03020001 | LTB4 | 671.4529 | [2M-H]- | -1 | 263.49 (0.28) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | Cer(d42:0) | 674.6427 | [M+Na]+ | 1 | 284.08 (0.508) | McLean | 10.1021/ac4038448 |
LMFA03050006 | 8,9-DHET | 675.4842 | [2M-H]- | -1 | 260.66 (0.042) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050004 | 5,6-DHET | 675.4842 | [2M-H]- | -1 | 261.37 (0.049) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050008 | 11(12)-DHET | 675.4842 | [2M-H]- | -1 | 260.45 (0.184) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA01030185 | Docosahexaenoic Acid | 677.4552 | [2M-2H+Na]- | -1 | 262.31 (1.137) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP01010477 | PC(14:0/14:0) | 678.5074 | [M+H]+ | 1 | 272.46 (1.553) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01010429 | PC(12:0/12:0) | 680.4502 | [M+CH3COO-]- | -1 | 267.12 (0.881) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010106 | PE(15:0/15:0) | 686.4736 | [M+Na]+ | 1 | 270.25 (1.486) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010108 | PE(16:1(9Z)/16:1(9Z)) | 686.4761 | [M-H]- | -1 | 259.13 (0.415) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010108 | PE(16:1(9Z)/16:1(9Z)) | 688.4917 | [M+H]+ | 1 | 266.03 (1.224) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03010019 | PGJ2 | 689.4035 | [2M-2H+Na]- | -1 | 263.89 (0.384) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010037 | PE(16:0/16:0) | 690.5053 | [M-H]- | -1 | 262.25 (0.166) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMGP02010037 | PE(16:0/16:0) | 690.5074 | [M-H]- | -1 | 262.49 (0.577) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010037 | PE(16:0/16:0) | 692.5230 | [M+H]+ | 1 | 274.1 (0.74) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03020001 | LTB4 | 693.4348 | [2M-2H+Na]- | -1 | 266.43 (0.422) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050004 | 5,6-DHET | 697.4661 | [2M-2H+Na]- | -1 | 266.46 (0.12) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050008 | 11(12)-DHET | 697.4661 | [2M-2H+Na]- | -1 | 262.23 (0.417) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03050006 | 8,9-DHET | 697.4661 | [2M-2H+Na]- | -1 | 263.8 (0.368) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP01010477 | PC(14:0/14:0) | 700.4893 | [M+Na]+ | 1 | 274.48 (1.263) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA03010004 | PGD2 | 703.4427 | [2M-H]- | -1 | 263.85 (1.477) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010003 | PGE2 | 703.4427 | [2M-H]- | -1 | 258.16 (1.695) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | SM(d34:1) | 703.5754 | [M+H]+ | 1 | 282.27 (0.45) | McLean | 10.1021/ac4038448 |
LMFA03110001 | 8-iso-PGF2-alpha | 707.474 | [2M-H]- | -1 | 263.08 (0.156) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010002 | PGF2-alpha | 707.474 | [2M-H]- | -1 | 261.78 (0.167) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMGP02010108 | PE(16:1(9Z)/16:1(9Z)) | 710.4736 | [M+Na]+ | 1 | 271.59 (1.439) | McLean | 10.1021/acs.analchem.6b01728 |
- | GlcCer(d36:1) | 710.5934 | [M+H-H2O]+ | 1 | 282.07 (0.431) | McLean | 10.1021/ac4038448 |
- | PE(32:1) | 712.4893 | [M+Na]+ | 1 | 270.74 (0.432) | McLean | 10.1021/ac4038448 |
LMGP02010037 | PE(16:0/16:0) | 714.5049 | [M+Na]+ | 1 | 277.32 (0.86) | McLean | 10.1021/acs.analchem.6b01728 |
- | PE(34:3) | 714.5074 | [M+H]+ | 1 | 268.03 (0.468) | McLean | 10.1021/ac4038448 |
LMPK04000006 | Erythromycin | 716.4585 | [M+H-H2O]+ | 1 | 191.37 (0.411) | McLean/AB | 10.1039/C8SC04396E |
LMPK04000006 | Erythromycin | 716.4585 | [M+H-H2O]+ | 1 | 197.57 (0.222) | McLean/AB | 10.1039/C8SC04396E |
- | PE(34:2) | 716.5230 | [M+H]+ | 1 | 270.57 (0.379) | McLean | 10.1021/ac4038448 |
LMGP02010009 | PE(16:0/18:1(9Z)) | 716.5230 | [M-H]- | -1 | 267.53 (0.455) | McLean | 10.1021/acs.analchem.6b01728 |
LMPK04000012 | Erythromycin B | 718.4741 | [M+H]+ | 1 | 194.38 (0.206) | McLean/AB | 10.1039/C8SC04396E |
- | PE(34:1) | 718.5387 | [M+H]+ | 1 | 272.19 (0.352) | McLean | 10.1021/ac4038448 |
LMGP02011213 | PE(17:0/17:0) | 718.5387 | [M-H]- | -1 | 268.62 (0.564) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010009 | PE(16:0/18:1(9Z)) | 718.5387 | [M+H]+ | 1 | 275.82 (1.131) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(36:4) | 719.4628 | [M+Na]+ | 1 | 270.51 (0.404) | McLean | 10.1021/ac4038448 |
- | PE(O-32:1) | 720.4920 | [M+2Na-H]+ | 1 | 270.47 (0.314) | McLean | 10.1021/ac4038448 |
LMGP02011213 | PE(17:0/17:0) | 720.5543 | [M+H]+ | 1 | 279.34 (1.844) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(36:3) | 721.4784 | [M+Na]+ | 1 | 273.11 (0.359) | McLean | 10.1021/ac4038448 |
- | PE(O-34:3) | 722.5100 | [M+Na]+ | 1 | 272.99 (0.405) | McLean | 10.1021/ac4038448 |
- | GlcCer(d34:1) | 722.5547 | [M+Na]+ | 1 | 281.15 (0.549) | McLean | 10.1021/ac4038448 |
- | PA(36:2) | 723.4940 | [M+Na]+ | 1 | 274.4 (0.39) | McLean | 10.1021/ac4038448 |
- | PE(O-34:2) | 724.5257 | [M+Na]+ | 1 | 275.81 (1.19) | McLean | 10.1021/ac4038448 |
- | GlcCer(d34:0) | 724.5703 | [M+Na]+ | 1 | 283.14 (0.439) | McLean | 10.1021/ac4038448 |
LMFA03010004 | PGD2 | 725.4247 | [2M-2H+Na]- | -1 | 262.25 (1.478) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03010003 | PGE2 | 725.4247 | [2M-2H+Na]- | -1 | 260.21 (1.777) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | PA(36:1) | 725.5097 | [M+Na]+ | 1 | 275.56 (0.172) | McLean | 10.1021/ac4038448 |
- | SM(d34:1) | 725.5573 | [M+Na]+ | 1 | 280.97 (0.368) | McLean | 10.1021/ac4038448 |
- | PE(O-34:1) | 726.5413 | [M+Na]+ | 1 | 277.97 (0.455) | McLean | 10.1021/ac4038448 |
- | GlcCer(d36:2) | 726.5884 | [M+H]+ | 1 | 283.59 (0.438) | McLean | 10.1021/ac4038448 |
- | PE(O-36:3) | 728.5594 | [M+H]+ | 1 | 274.62 (0.452) | McLean | 10.1021/ac4038448 |
- | GlcCer(d36:1) | 728.6040 | [M+H]+ | 1 | 284.66 (0.371) | McLean | 10.1021/ac4038448 |
LMFA03010002 | PGF2-alpha | 729.456 | [2M-2H+Na]- | -1 | 262.67 (0.134) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
LMFA03110001 | 8-iso-PGF2-alpha | 729.456 | [2M-2H+Na]- | -1 | 265.32 (0.233) | Griffin/CH | 10.1021/acs.analchem.8b04615 |
- | SM(d36:2) | 729.5910 | [M+H]+ | 1 | 286.4 (0.569) | McLean | 10.1021/ac4038448 |
LMGP01010684 | PC(16:1(9Z)/16:1(9Z)) | 730.5387 | [M+H]+ | 1 | 277.53 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
- | PE(O-36:2) | 730.5750 | [M+H]+ | 1 | 277.15 (0.328) | McLean | 10.1021/ac4038448 |
- | GlcCer(d36:0) | 730.6197 | [M+H]+ | 1 | 286.84 (0.383) | McLean | 10.1021/ac4038448 |
- | PA(35:2) | 731.4603 | [M+2Na-H]+ | 1 | 272.13 (0.367) | McLean | 10.1021/ac4038448 |
- | SM(d36:1) | 731.6067 | [M+H]+ | 1 | 288.5 (0.378) | McLean | 10.1021/ac4038448 |
- | PC(32:1) | 732.5543 | [M+H]+ | 1 | 278.69 (0.4) | McLean | 10.1021/ac4038448 |
- | PE(O-36:1) | 732.5907 | [M+H]+ | 1 | 279.27 (0.666) | McLean | 10.1021/ac4038448 |
- | PA(35:1) | 733.4760 | [M+2Na-H]+ | 1 | 273.99 (0.497) | McLean | 10.1021/ac4038448 |
LMPK04000006 | Erythromycin | 734.4690 | [M+H]+ | 1 | 193.32 (0.252) | McLean/AB | 10.1039/C8SC04396E |
- | PE(32:1) | 734.4712 | [M+2Na-H]+ | 1 | 271.03 (0.623) | McLean | 10.1021/ac4038448 |
LMGP01010564 | PC(16:0/16:0) | 734.5699 | [M+H]+ | 1 | 284.6 (1.651) | McLean | 10.1021/acs.analchem.6b01728 |
- | PC(32:0) | 734.5699 | [M+H]+ | 1 | 280.6 (0.425) | McLean | 10.1021/ac4038448 |
- | SM(d36:1) | 735.5780 | [M+H-H2O]+ | 1 | 282.3 (0.666) | McLean | 10.1021/ac4038448 |
- | PE(34:3) | 736.4893 | [M+Na]+ | 1 | 273.88 (0.41) | McLean | 10.1021/ac4038448 |
LMGP01010477 | PC(14:0/14:0) | 736.5128 | [M+CH3COO-]- | -1 | 278.55 (1.95) | McLean | 10.1021/acs.analchem.6b01728 |
- | PE(34:2) | 738.5049 | [M+Na]+ | 1 | 275.22 (0.276) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:1) | 738.6247 | [M+H-H2O]+ | 1 | 288.89 (0.475) | McLean | 10.1021/ac4038448 |
- | PA(36:5) | 739.4291 | [M+2Na-H]+ | 1 | 271.43 (0.142) | McLean | 10.1021/ac4038448 |
- | SM(d35:1) | 739.5730 | [M+Na]+ | 1 | 282.83 (0.368) | McLean | 10.1021/ac4038448 |
LMPK04000012 | Erythromycin B | 740.4561 | [M+Na]+ | 1 | 197.64 (0.232) | McLean/AB | 10.1039/C8SC04396E |
LMGP02010009 | PE(16:0/18:1(9Z)) | 740.5206 | [M+Na]+ | 1 | 281.68 (1.887) | McLean | 10.1021/acs.analchem.6b01728 |
- | PE(34:1) | 740.5206 | [M+Na]+ | 1 | 278.21 (0.333) | McLean | 10.1021/ac4038448 |
- | PA(36:4) | 741.4447 | [M+2Na-H]+ | 1 | 272.16 (0.561) | McLean | 10.1021/ac4038448 |
LMGP02011213 | PE(17:0/17:0) | 742.5362 | [M+Na]+ | 1 | 282.12 (1.806) | McLean | 10.1021/acs.analchem.6b01728 |
- | PE(36:3) | 742.5387 | [M+H]+ | 1 | 275.5 (0.441) | McLean | 10.1021/ac4038448 |
LMGP02010052 | PE(18:1(9Z)/18:1(9Z)) | 742.5387 | [M-H]- | -1 | 273.53 (0.3) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP02010052 | PE(18:1(9Z)/18:1(9Z)) | 742.5387 | [M-H]- | -1 | 272.27 (0.517) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(36:3) | 743.4604 | [M+2Na-H]+ | 1 | 273.89 (0.663) | McLean | 10.1021/ac4038448 |
- | PE(O-34:3) | 744.4920 | [M+2Na-H]+ | 1 | 273.73 (0.48) | McLean | 10.1021/ac4038448 |
- | PE(36:2) | 744.5543 | [M+H]+ | 1 | 277.3 (0.37) | McLean | 10.1021/ac4038448 |
LMGP02010052 | PE(18:1(9Z)/18:1(9Z)) | 744.5543 | [M+H]+ | 1 | 279.77 (1.93) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010052 | PE(18:1(9Z)/18:1(9Z)) | 744.5543 | [M+H]+ | 1 | 284.87 (0.1) | PNNL/Baker | 10.1039/C7SC03464D |
LMGP02010036 | PE(18:0/18:1(9Z)) | 744.5543 | [M-H]- | -1 | 273.46 (0.902) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(36:2) | 745.4760 | [M+2Na-H]+ | 1 | 275.26 (0.258) | McLean | 10.1021/ac4038448 |
- | SM(d37:1) | 745.6223 | [M+H]+ | 1 | 290.95 (0.684) | McLean | 10.1021/ac4038448 |
LMFA07010468 | ethyl tetradecanoate | 745.6284 | [M+Na]+ | 1 | 291.36 (0.142) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
- | PE(O-34:2) | 746.5076 | [M+2Na-H]+ | 1 | 275.71 (0.235) | McLean | 10.1021/ac4038448 |
- | PE(36:1) | 746.5699 | [M+H]+ | 1 | 279.21 (0.376) | McLean | 10.1021/ac4038448 |
LMGP02010097 | PE(18:0/18:0) | 746.5699 | [M-H]- | -1 | 274.64 (0.33) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP02010036 | PE(18:0/18:1(9Z)) | 746.5699 | [M+H]+ | 1 | 282.75 (1.046) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(36:1) | 747.4916 | [M+2Na-H]+ | 1 | 276.83 (0.435) | McLean | 10.1021/ac4038448 |
- | PA(38:4) | 747.4941 | [M+Na]+ | 1 | 278.73 (0.627) | McLean | 10.1021/ac4038448 |
LMPK04000014 | Clarithromycin | 748.4832 | [M+H]+ | 1 | 266.68 (0.334) | McLean/AB | 10.1039/C8SC04396E |
- | PE(O-34:1) | 748.5233 | [M+2Na-H]+ | 1 | 278.4 (0.227) | McLean | 10.1021/ac4038448 |
- | GlcCer(d36:2) | 748.5703 | [M+Na]+ | 1 | 283.74 (0.35) | McLean | 10.1021/ac4038448 |
LMGP02010097 | PE(18:0/18:0) | 748.5856 | [M+H]+ | 1 | 286.13 (0.229) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(38:3) | 749.5097 | [M+Na]+ | 1 | 279.62 (0.239) | McLean | 10.1021/ac4038448 |
- | PE(O-36:3) | 750.5413 | [M+Na]+ | 1 | 280.12 (0.342) | McLean | 10.1021/ac4038448 |
- | GlcCer(d36:1) | 750.5860 | [M+Na]+ | 1 | 286.24 (0.424) | McLean | 10.1021/ac4038448 |
- | PA(38:2) | 751.5253 | [M+Na]+ | 1 | 281.95 (0.471) | McLean | 10.1021/ac4038448 |
- | SM(d36:2) | 751.5730 | [M+Na]+ | 1 | 282.54 (0.558) | McLean | 10.1021/ac4038448 |
- | PC(32:2) | 752.5206 | [M+Na]+ | 1 | 279.05 (1.277) | McLean | 10.1021/ac4038448 |
LMGP01010684 | PC(16:1(9Z)/16:1(9Z)) | 752.5206 | [M+Na]+ | 1 | 280.45 (0.438) | PNNL/Baker | 10.1039/C7SC03464D |
- | PE(35:2) | 752.5206 | [M+Na]+ | 1 | 277.79 (0.317) | McLean | 10.1021/ac4038448 |
- | PE(O-36:2) | 752.5570 | [M+Na]+ | 1 | 282.59 (0.495) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:3) | 752.6016 | [M+H]+ | 1 | 286.68 (0.292) | McLean | 10.1021/ac4038448 |
- | SM(d36:1) | 753.5886 | [M+Na]+ | 1 | 288.12 (0.425) | McLean | 10.1021/ac4038448 |
- | PE(34:2) | 754.4789 | [M+K]+ | 1 | 277 (0.343) | McLean | 10.1021/ac4038448 |
- | PC(32:1) | 754.5362 | [M+Na]+ | 1 | 281.37 (0.38) | McLean | 10.1021/ac4038448 |
- | PE(35:1) | 754.5362 | [M+Na]+ | 1 | 281.47 (0.329) | McLean | 10.1021/ac4038448 |
- | PE(O-36:1) | 754.5726 | [M+Na]+ | 1 | 283.89 (0.416) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:2) | 754.6197 | [M+H]+ | 1 | 290.14 (0.477) | McLean | 10.1021/ac4038448 |
LMPK04000006 | Erythromycin | 756.4510 | [M+Na]+ | 1 | 198.96 (0.239) | McLean/AB | 10.1039/C8SC04396E |
- | PE(34:1) | 756.4945 | [M+K]+ | 1 | 279.76 (0.253) | McLean | 10.1021/ac4038448 |
- | PC(32:0) | 756.5519 | [M+Na]+ | 1 | 282.78 (0.984) | McLean | 10.1021/ac4038448 |
LMGP01010564 | PC(16:0/16:0) | 756.5519 | [M+Na]+ | 1 | 286.2 (1.86) | McLean | 10.1021/acs.analchem.6b01728 |
- | PC(34:3) | 756.5543 | [M+H]+ | 1 | 279.31 (1.028) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:1) | 756.6353 | [M+H]+ | 1 | 290.43 (0.348) | McLean | 10.1021/ac4038448 |
- | PE(34:3) | 758.4712 | [M+2Na-H]+ | 1 | 273.3 (0.497) | McLean | 10.1021/ac4038448 |
- | PC(34:2) | 758.5699 | [M+H]+ | 1 | 281.72 (0.372) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:0) | 758.6510 | [M+H]+ | 1 | 292.47 (0.472) | McLean | 10.1021/ac4038448 |
- | SM(d38:1) | 759.6380 | [M+H]+ | 1 | 294.57 (0.417) | McLean | 10.1021/ac4038448 |
- | PE(34:2) | 760.4869 | [M+2Na-H]+ | 1 | 275.44 (0.368) | McLean | 10.1021/ac4038448 |
LMGP01010884 | PC(18:1(9Z)/16:0) | 760.5856 | [M+H]+ | 1 | 287.03 (0.704) | PNNL/Baker | 10.1039/C7SC03464D |
- | PC(34:1) | 760.5856 | [M+H]+ | 1 | 284.2 (0.381) | McLean | 10.1021/ac4038448 |
- | PE(34:1) | 762.5025 | [M+2Na-H]+ | 1 | 277.82 (0.485) | McLean | 10.1021/ac4038448 |
- | PE(36:3) | 764.5206 | [M+Na]+ | 1 | 279.76 (0.332) | McLean | 10.1021/ac4038448 |
- | GlcCer(d37:1) | 764.6016 | [M+Na]+ | 1 | 289.7 (0.419) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:2) | 764.6404 | [M+H-H2O]+ | 1 | 292.65 (0.439) | McLean | 10.1021/ac4038448 |
LMGP02010052 | PE(18:1(9Z)/18:1(9Z)) | 766.5362 | [M+Na]+ | 1 | 284.87 (0.153) | PNNL/Baker | 10.1039/C7SC03464D |
- | PE(36:2) | 766.5362 | [M+Na]+ | 1 | 282.09 (0.24) | McLean | 10.1021/ac4038448 |
LMGP02010052 | PE(18:1(9Z)/18:1(9Z)) | 766.5362 | [M+Na]+ | 1 | 285.91 (0.743) | McLean | 10.1021/acs.analchem.6b01728 |
- | GlcCer(d36:1(OH)) | 766.5809 | [M+Na]+ | 1 | 289.8 (0.472) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:1) | 766.6560 | [M+H-H2O]+ | 1 | 295.08 (0.425) | McLean | 10.1021/ac4038448 |
- | SM(d37:1) | 767.6043 | [M+Na]+ | 1 | 287.61 (0.56) | McLean | 10.1021/ac4038448 |
- | PE(35:2) | 768.4945 | [M+K]+ | 1 | 279.56 (0.456) | McLean | 10.1021/ac4038448 |
- | PE(36:1) | 768.5519 | [M+Na]+ | 1 | 284.44 (0.343) | McLean | 10.1021/ac4038448 |
LMGP02010036 | PE(18:0/18:1(9Z)) | 768.5519 | [M+Na]+ | 1 | 287.75 (1.985) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(38:4) | 769.4760 | [M+2Na-H]+ | 1 | 278.28 (0.581) | McLean | 10.1021/ac4038448 |
- | SM(d36:1) | 769.5626 | [M+K]+ | 1 | 290.66 (0.465) | McLean | 10.1021/ac4038448 |
LMPK04000014 | Clarithromycin | 770.4636 | [M+Na]+ | 1 | 270.55 (0.326) | McLean/AB | 10.1039/C8SC04396E |
- | PE(O-36:4) | 770.5076 | [M+2Na-H]+ | 1 | 280.33 (0.394) | McLean | 10.1021/ac4038448 |
LMGP02010097 | PE(18:0/18:0) | 770.5675 | [M+Na]+ | 1 | 289.76 (1.188) | McLean | 10.1021/acs.analchem.6b01728 |
- | PA(38:3) | 771.4916 | [M+2Na-H]+ | 1 | 282.01 (0.623) | McLean | 10.1021/ac4038448 |
LMPK04000006 | Erythromycin | 772.4249 | [M+K]+ | 1 | 197.46 (0.338) | McLean/AB | 10.1039/C8SC04396E |
- | PE(O-36:3) | 772.5233 | [M+2Na-H]+ | 1 | 281.68 (0.321) | McLean | 10.1021/ac4038448 |
- | PA(40:5) | 773.5097 | [M+Na]+ | 1 | 284.02 (0.465) | McLean | 10.1021/ac4038448 |
- | SM(d39:1) | 773.6536 | [M+H]+ | 1 | 298.19 (0.537) | McLean | 10.1021/ac4038448 |
- | PE(O-36:2) | 774.5389 | [M+2Na-H]+ | 1 | 283.12 (0.647) | McLean | 10.1021/ac4038448 |
- | PC(35:1) | 774.6013 | [M+H]+ | 1 | 286.88 (0.418) | McLean | 10.1021/ac4038448 |
- | PE(36:5) | 776.4632 | [M+K]+ | 1 | 276.57 (0.431) | McLean | 10.1021/ac4038448 |
- | PE(35:1) | 776.5182 | [M+2Na-H]+ | 1 | 281.78 (0.27) | McLean | 10.1021/ac4038448 |
- | PE(O-36:1) | 776.5546 | [M+2Na-H]+ | 1 | 285.47 (0.331) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:2) | 776.6016 | [M+Na]+ | 1 | 289.61 (0.547) | McLean | 10.1021/ac4038448 |
- | PE(36:4) | 778.4789 | [M+K]+ | 1 | 279.43 (0.33) | McLean | 10.1021/ac4038448 |
- | PE(37:3) | 778.5362 | [M+Na]+ | 1 | 282.36 (0.283) | McLean | 10.1021/ac4038448 |
- | PC(34:3) | 778.5363 | [M+Na]+ | 1 | 284.21 (0.389) | McLean | 10.1021/ac4038448 |
- | PE(O-38:3) | 778.5726 | [M+Na]+ | 1 | 285.48 (0.349) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:1) | 778.6173 | [M+Na]+ | 1 | 292.82 (3.31) | McLean | 10.1021/ac4038448 |
- | PE(36:3) | 780.4945 | [M+K]+ | 1 | 281.14 (0.372) | McLean | 10.1021/ac4038448 |
- | PC(34:2) | 780.5519 | [M+Na]+ | 1 | 285.34 (0.637) | McLean | 10.1021/ac4038448 |
- | PE(37:2) | 780.5519 | [M+Na]+ | 1 | 284.44 (0.433) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:0) | 780.6329 | [M+Na]+ | 1 | 293.57 (0.431) | McLean | 10.1021/ac4038448 |
- | GlcCer(d41:1) | 780.6717 | [M+H-H2O]+ | 1 | 296.96 (0.51) | McLean | 10.1021/ac4038448 |
- | SM(d38:1) | 781.6199 | [M+Na]+ | 1 | 294.49 (0.26) | McLean | 10.1021/ac4038448 |
- | PE(36:2) | 782.5102 | [M+K]+ | 1 | 282.94 (0.332) | McLean | 10.1021/ac4038448 |
- | PC(34:1) | 782.5675 | [M+Na]+ | 1 | 287.08 (0.394) | McLean | 10.1021/ac4038448 |
LMGP01010884 | PC(18:1(9Z)/16:0) | 782.5675 | [M+Na]+ | 1 | 291.18 (1.365) | PNNL/Baker | 10.1039/C7SC03464D |
- | PE(37:1) | 782.5675 | [M+Na]+ | 1 | 286.6 (0.388) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:2) | 782.6510 | [M+H]+ | 1 | 296.3 (0.455) | McLean | 10.1021/ac4038448 |
- | PE(36:4) | 784.4869 | [M+2Na-H]+ | 1 | 279.24 (0.337) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:1) | 784.6666 | [M+H]+ | 1 | 296.19 (0.429) | McLean | 10.1021/ac4038448 |
- | SM(d40:2) | 785.6536 | [M+H]+ | 1 | 298 (0.439) | McLean | 10.1021/ac4038448 |
LMPK04000014 | Clarithromycin | 786.4367 | [M+K]+ | 1 | 268.86 (0.352) | McLean/AB | 10.1039/C8SC04396E |
- | PE(36:3) | 786.5025 | [M+2Na-H]+ | 1 | 281.63 (0.329) | McLean | 10.1021/ac4038448 |
LMGP02011173 | PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) | 786.5074 | [M-H]- | -1 | 277.3 (0.666) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01010890 | PC(18:1(9Z)/18:1(9Z)) | 786.6012 | [M+H]+ | 1 | 292.41 (1.219) | PNNL/Baker | 10.1039/C7SC03464D |
- | PC(36:2) | 786.6012 | [M+H]+ | 1 | 288.18 (0.37) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:0) | 786.6823 | [M+H]+ | 1 | 298.58 (0.424) | McLean | 10.1021/ac4038448 |
- | SM(d40:1) | 787.6693 | [M+H]+ | 1 | 300.23 (0.422) | McLean | 10.1021/ac4038448 |
- | PE(36:2) | 788.5182 | [M+2Na-H]+ | 1 | 283.48 (0.297) | McLean | 10.1021/ac4038448 |
LMGP02011173 | PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) | 788.5230 | [M+H]+ | 1 | 282.26 (1.552) | McLean | 10.1021/acs.analchem.6b01728 |
- | PS(36:2) | 788.5441 | [M+H]+ | 1 | 283.14 (0.319) | McLean | 10.1021/ac4038448 |
- | PC(36:1) | 788.6169 | [M+H]+ | 1 | 290.5 (0.389) | McLean | 10.1021/ac4038448 |
- | SM(d40:0) | 789.6849 | [M+H]+ | 1 | 301.98 (0.319) | McLean | 10.1021/ac4038448 |
- | PE(36:1) | 790.5338 | [M+2Na-H]+ | 1 | 285.98 (0.456) | McLean | 10.1021/ac4038448 |
- | PS(36:1) | 790.5598 | [M+H]+ | 1 | 285.63 (0.443) | McLean | 10.1021/ac4038448 |
LMGP01010006 | PC(18:0/18:0) | 790.6325 | [M+H]+ | 1 | 297.62 (0.387) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01010564 | PC(16:0/16:0) | 792.5754 | [M+CH3COO-]- | -1 | 289.46 (0.318) | McLean | 10.1021/acs.analchem.6b01728 |
- | GlcCer(d39:1) | 792.6329 | [M+Na]+ | 1 | 294.26 (0.648) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:2) | 792.6717 | [M+H-H2O]+ | 1 | 298.74 (0.409) | McLean | 10.1021/ac4038448 |
- | PA(40:6) | 793.4760 | [M+2Na-H]+ | 1 | 282.8 (0.616) | McLean | 10.1021/ac4038448 |
- | PE(O-38:6) | 794.5076 | [M+2Na-H]+ | 1 | 283.07 (0.399) | McLean | 10.1021/ac4038448 |
- | PC(35:2) | 794.5675 | [M+Na]+ | 1 | 288.07 (0.639) | McLean | 10.1021/ac4038448 |
- | GlcCer(d38:1(OH)) | 794.6122 | [M+Na]+ | 1 | 295.37 (0.428) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:1) | 794.6873 | [M+H-H2O]+ | 1 | 300.72 (0.445) | McLean | 10.1021/ac4038448 |
- | PA(40:5) | 795.4916 | [M+2Na-H]+ | 1 | 285.31 (1.065) | McLean | 10.1021/ac4038448 |
- | SM(d39:1) | 795.6356 | [M+Na]+ | 1 | 296.91 (0.425) | McLean | 10.1021/ac4038448 |
- | PE(O-38:5) | 796.5233 | [M+2Na-H]+ | 1 | 284.71 (0.378) | McLean | 10.1021/ac4038448 |
- | PC(34:2) | 796.5258 | [M+K]+ | 1 | 285.52 (0.421) | McLean | 10.1021/ac4038448 |
- | PE(38:1) | 796.5832 | [M+Na]+ | 1 | 288.19 (0.438) | McLean | 10.1021/ac4038448 |
- | PC(35:1) | 796.5832 | [M+Na]+ | 1 | 289.41 (0.582) | McLean | 10.1021/ac4038448 |
- | PE(O-38:4) | 798.5389 | [M+2Na-H]+ | 1 | 286.93 (0.47) | McLean | 10.1021/ac4038448 |
- | PC(34:1) | 798.5415 | [M+K]+ | 1 | 288.02 (0.405) | McLean | 10.1021/ac4038448 |
- | GlcCer(d41:1) | 798.6823 | [M+H]+ | 1 | 299.47 (0.453) | McLean | 10.1021/ac4038448 |
- | SM(d41:2) | 799.6693 | [M+H]+ | 1 | 301.27 (0.461) | McLean | 10.1021/ac4038448 |
- | PE(37:3) | 800.5182 | [M+2Na-H]+ | 1 | 284.35 (0.547) | McLean | 10.1021/ac4038448 |
- | PE(O-38:3) | 800.5546 | [M+2Na-H]+ | 1 | 289.69 (0.381) | McLean | 10.1021/ac4038448 |
- | SM(d41:1) | 801.6849 | [M+H]+ | 1 | 303.52 (0.338) | McLean | 10.1021/ac4038448 |
- | PE(38:6(OH)) | 802.4999 | [M+Na]+ | 1 | 283.47 (0.389) | McLean | 10.1021/ac4038448 |
- | PE(37:2) | 802.5338 | [M+2Na-H]+ | 1 | 287.43 (0.18) | McLean | 10.1021/ac4038448 |
- | PE(O-38:2) | 802.5702 | [M+2Na-H]+ | 1 | 291.62 (0.394) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:3) | 802.6173 | [M+Na]+ | 1 | 292.57 (0.847) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:0(OH)) | 802.6772 | [M+H]+ | 1 | 302.61 (0.45) | McLean | 10.1021/ac4038448 |
- | SM(d41:0) | 803.7006 | [M+H]+ | 1 | 304.68 (0.209) | McLean | 10.1021/ac4038448 |
- | PE(38:5) | 804.4945 | [M+K]+ | 1 | 285 (0.411) | McLean | 10.1021/ac4038448 |
- | PS(O-35:2) | 804.5131 | [M+2Na-H]+ | 1 | 284.63 (0.699) | McLean | 10.1021/ac4038448 |
- | PC(34:1) | 804.5495 | [M+2Na-H]+ | 1 | 286.14 (0.871) | McLean | 10.1021/ac4038448 |
- | PE(37:1) | 804.5495 | [M+2Na-H]+ | 1 | 289.01 (0.407) | McLean | 10.1021/ac4038448 |
- | PC(36:4) | 804.5519 | [M+Na]+ | 1 | 287.3 (0.437) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:2) | 804.6329 | [M+Na]+ | 1 | 294.4 (0.451) | McLean | 10.1021/ac4038448 |
- | SM(d38:0) | 805.6175 | [M+2Na-H]+ | 1 | 297.01 (0.778) | McLean | 10.1021/ac4038448 |
- | PS(34:1) | 806.4924 | [M+2Na-H]+ | 1 | 283.03 (0.675) | McLean | 10.1021/ac4038448 |
- | PE(38:4) | 806.5102 | [M+K]+ | 1 | 286.7 (0.348) | McLean | 10.1021/ac4038448 |
- | PC(34:0) | 806.5651 | [M+2Na-H]+ | 1 | 288.38 (0.539) | McLean | 10.1021/ac4038448 |
- | PC(36:3) | 806.5675 | [M+Na]+ | 1 | 289.29 (0.564) | McLean | 10.1021/ac4038448 |
- | GlcCer(d40:1) | 806.6486 | [M+Na]+ | 1 | 298.49 (0.419) | McLean | 10.1021/ac4038448 |
- | SM(d40:2) | 807.6356 | [M+Na]+ | 1 | 294.84 (0.503) | McLean | 10.1021/ac4038448 |
- | PE(38:6) | 808.4869 | [M+2Na-H]+ | 1 | 283.22 (0.415) | McLean | 10.1021/ac4038448 |
- | PC(36:2) | 808.5832 | [M+Na]+ | 1 | 290.91 (0.661) | McLean | 10.1021/ac4038448 |
LMGP01010890 | PC(18:1(9Z)/18:1(9Z)) | 808.5832 | [M+Na]+ | 1 | 295.96 (1.387) | PNNL/Baker | 10.1039/C7SC03464D |
- | GlcCer(d40:0) | 808.6642 | [M+Na]+ | 1 | 300.07 (0.441) | McLean | 10.1021/ac4038448 |
- | SM(d40:1) | 809.6512 | [M+Na]+ | 1 | 298.34 (0.562) | McLean | 10.1021/ac4038448 |
- | SM(d42:4) | 809.6536 | [M+H]+ | 1 | 300.16 (0.725) | McLean | 10.1021/ac4038448 |
- | PE(38:5) | 810.5025 | [M+2Na-H]+ | 1 | 285.79 (1.231) | McLean | 10.1021/ac4038448 |
LMGP02011173 | PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) | 810.5049 | [M+Na]+ | 1 | 285.73 (1.514) | McLean | 10.1021/acs.analchem.6b01728 |
- | PS(38:5) | 810.5285 | [M+H]+ | 1 | 283.9 (0.423) | McLean | 10.1021/ac4038448 |
- | PC(36:1) | 810.5988 | [M+Na]+ | 1 | 292.54 (0.492) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:2) | 810.6823 | [M+H]+ | 1 | 301.62 (0.409) | McLean | 10.1021/ac4038448 |
- | SM(d42:3) | 811.6693 | [M+H]+ | 1 | 301.95 (0.266) | McLean | 10.1021/ac4038448 |
- | PE(38:4) | 812.5182 | [M+2Na-H]+ | 1 | 287.21 (0.364) | McLean | 10.1021/ac4038448 |
- | PS(38:4) | 812.5441 | [M+H]+ | 1 | 286.69 (0.347) | McLean | 10.1021/ac4038448 |
LMGP01010006 | PC(18:0/18:0) | 812.6145 | [M+Na]+ | 1 | 298.63 (1.583) | McLean | 10.1021/acs.analchem.6b01728 |
- | GlcCer(d42:1) | 812.6979 | [M+H]+ | 1 | 302.97 (0.418) | McLean | 10.1021/ac4038448 |
- | SM(d42:2) | 813.6849 | [M+H]+ | 1 | 303.81 (0.424) | McLean | 10.1021/ac4038448 |
- | PE(38:3) | 814.5338 | [M+2Na-H]+ | 1 | 288.72 (0.4) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:0) | 814.7136 | [M+H]+ | 1 | 304.69 (0.386) | McLean | 10.1021/ac4038448 |
- | SM(d42:1) | 815.7006 | [M+H]+ | 1 | 305.57 (0.392) | McLean | 10.1021/ac4038448 |
- | PE(38:2) | 816.5495 | [M+2Na-H]+ | 1 | 291.08 (0.46) | McLean | 10.1021/ac4038448 |
- | PE(40:5) | 816.5519 | [M+Na]+ | 1 | 291.67 (0.404) | McLean | 10.1021/ac4038448 |
- | PS(38:2) | 816.5754 | [M+H]+ | 1 | 290 (0.375) | McLean | 10.1021/ac4038448 |
- | SM(d42:2) | 817.6563 | [M+H-H2O]+ | 1 | 303.57 (0.514) | McLean | 10.1021/ac4038448 |
- | SM(d42:0) | 817.7162 | [M+H]+ | 1 | 307.74 (0.449) | McLean | 10.1021/ac4038448 |
- | PS(38:1) | 818.5911 | [M+H]+ | 1 | 291.92 (0.451) | McLean | 10.1021/ac4038448 |
- | GlcCer(d41:2) | 818.6486 | [M+Na]+ | 1 | 298.44 (0.492) | McLean | 10.1021/ac4038448 |
- | PC(36:4(OH)) | 820.5468 | [M+Na]+ | 1 | 289.21 (0.436) | McLean | 10.1021/ac4038448 |
- | GlcCer(d41:1) | 820.6642 | [M+Na]+ | 1 | 299.77 (0.424) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:2) | 820.7030 | [M+H-H2O]+ | 1 | 303.84 (0.409) | McLean | 10.1021/ac4038448 |
- | SM(d41:2) | 821.6512 | [M+Na]+ | 1 | 298.72 (0.558) | McLean | 10.1021/ac4038448 |
- | PE(O-40:6) | 822.5389 | [M+2Na-H]+ | 1 | 290.47 (0.326) | McLean | 10.1021/ac4038448 |
- | PC(36:3(OH)) | 822.5625 | [M+Na]+ | 1 | 291.18 (0.562) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:4(OH)) | 822.6459 | [M+H]+ | 1 | 301.36 (0.439) | McLean | 10.1021/ac4038448 |
- | SM(d41:1) | 823.6669 | [M+Na]+ | 1 | 301.68 (0.571) | McLean | 10.1021/ac4038448 |
- | PC(36:2) | 824.5571 | [M+K]+ | 1 | 291.46 (0.429) | McLean | 10.1021/ac4038448 |
- | PC(36:2(OH)) | 824.5781 | [M+Na]+ | 1 | 292.57 (0.565) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:3(OH)) | 824.6615 | [M+H]+ | 1 | 302.79 (0.455) | McLean | 10.1021/ac4038448 |
- | GlcCer(d43:2) | 824.6979 | [M+H]+ | 1 | 304.43 (0.425) | McLean | 10.1021/ac4038448 |
- | PS(36:2) | 826.5000 | [M+K]+ | 1 | 287.48 (0.427) | McLean | 10.1021/ac4038448 |
- | PE(O-40:4) | 826.5702 | [M+2Na-H]+ | 1 | 295.84 (0.56) | McLean | 10.1021/ac4038448 |
- | PC(36:1) | 826.5728 | [M+K]+ | 1 | 293.37 (0.515) | McLean | 10.1021/ac4038448 |
- | SM(d43:2) | 827.7006 | [M+H]+ | 1 | 306.88 (0.651) | McLean | 10.1021/ac4038448 |
- | PS(36:4) | 828.4767 | [M+2Na-H]+ | 1 | 283.75 (0.411) | McLean | 10.1021/ac4038448 |
- | PE(38:4(OH)) | 828.5131 | [M+2Na-H]+ | 1 | 288.47 (0.431) | McLean | 10.1021/ac4038448 |
- | PS(36:1) | 828.5157 | [M+K]+ | 1 | 289.75 (0.358) | McLean | 10.1021/ac4038448 |
- | PC(36:3) | 828.5495 | [M+2Na-H]+ | 1 | 290.79 (0.471) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:1(OH)) | 828.6928 | [M+H]+ | 1 | 307.12 (0.441) | McLean | 10.1021/ac4038448 |
- | SM(d43:1) | 829.7162 | [M+H]+ | 1 | 309.34 (0.475) | McLean | 10.1021/ac4038448 |
- | PC(36:2) | 830.5651 | [M+2Na-H]+ | 1 | 292.68 (0.543) | McLean | 10.1021/ac4038448 |
- | PE(39:2) | 830.5651 | [M+2Na-H]+ | 1 | 294.15 (0.527) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:3) | 830.6486 | [M+Na]+ | 1 | 299.63 (0.507) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:0(OH)) | 830.7085 | [M+H]+ | 1 | 308.48 (0.473) | McLean | 10.1021/ac4038448 |
- | PS(36:2) | 832.5080 | [M+2Na-H]+ | 1 | 288.23 (0.398) | McLean | 10.1021/ac4038448 |
- | PC(36:1) | 832.5808 | [M+2Na-H]+ | 1 | 294.33 (0.355) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:2) | 832.6642 | [M+Na]+ | 1 | 301.9 (0.393) | McLean | 10.1021/ac4038448 |
- | PG (16:0/16:0)-4-Me | 833.6271 | [M-H]- | -1 | 295.84 (0.901) | PNNL/Baker | 10.1039/C7SC03464D |
- | SM(d42:3) | 833.6512 | [M+Na]+ | 1 | 299.94 (0.633) | McLean | 10.1021/ac4038448 |
- | PE(40:7) | 834.5025 | [M+2Na-H]+ | 1 | 288.33 (0.247) | McLean | 10.1021/ac4038448 |
- | PS(36:1) | 834.5237 | [M+2Na-H]+ | 1 | 290.23 (0.434) | McLean | 10.1021/ac4038448 |
- | PC(38:3) | 834.5988 | [M+Na]+ | 1 | 295.38 (0.497) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:1) | 834.6799 | [M+Na]+ | 1 | 304.14 (0.446) | McLean | 10.1021/ac4038448 |
- | SM(d42:2) | 835.6669 | [M+Na]+ | 1 | 302.9 (0.539) | McLean | 10.1021/ac4038448 |
- | PE(40:6) | 836.5182 | [M+2Na-H]+ | 1 | 290.13 (0.413) | McLean | 10.1021/ac4038448 |
- | PE(42:9) | 836.5206 | [M+Na]+ | 1 | 290.92 (0.368) | McLean | 10.1021/ac4038448 |
- | PS(40:6) | 836.5441 | [M+H]+ | 1 | 290 (0.365) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:0) | 836.6955 | [M+Na]+ | 1 | 305.54 (0.449) | McLean | 10.1021/ac4038448 |
- | SM(d42:1) | 837.6825 | [M+Na]+ | 1 | 304.99 (0.401) | McLean | 10.1021/ac4038448 |
- | PE(40:5) | 838.5338 | [M+2Na-H]+ | 1 | 291.82 (0.437) | McLean | 10.1021/ac4038448 |
- | PE(42:8) | 838.5363 | [M+Na]+ | 1 | 292.71 (0.385) | McLean | 10.1021/ac4038448 |
- | PS(40:5) | 838.5598 | [M+H]+ | 1 | 291.89 (0.402) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:2) | 838.7136 | [M+H]+ | 1 | 307.52 (0.42) | McLean | 10.1021/ac4038448 |
- | PS(40:4) | 840.5754 | [M+H]+ | 1 | 293.45 (0.436) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:1) | 840.7292 | [M+H]+ | 1 | 308.86 (0.439) | McLean | 10.1021/ac4038448 |
- | SM(d44:2) | 841.7162 | [M+H]+ | 1 | 309.95 (0.598) | McLean | 10.1021/ac4038448 |
- | PS(37:4) | 842.4924 | [M+2Na-H]+ | 1 | 288.11 (0.984) | McLean | 10.1021/ac4038448 |
- | PC(36:4(OH)) | 842.5288 | [M+2Na-H]+ | 1 | 289.91 (0.393) | McLean | 10.1021/ac4038448 |
- | PS(40:3) | 842.5911 | [M+H]+ | 1 | 294.93 (0.44) | McLean | 10.1021/ac4038448 |
- | GlcCer(d47:3) | 842.7237 | [M+H-2H2O]+ | 1 | 310.09 (0.444) | McLean | 10.1021/ac4038448 |
- | SM(d44:1) | 843.7319 | [M+H]+ | 1 | 312.21 (0.55) | McLean | 10.1021/ac4038448 |
- | PC(36:3(OH)) | 844.5444 | [M+2Na-H]+ | 1 | 292.03 (0.607) | McLean | 10.1021/ac4038448 |
- | PS(40:2) | 844.6067 | [M+H]+ | 1 | 296.34 (0.419) | McLean | 10.1021/ac4038448 |
- | GlcCer(d43:3) | 844.6642 | [M+Na]+ | 1 | 303.13 (0.466) | McLean | 10.1021/ac4038448 |
- | PS(37:2) | 846.5237 | [M+2Na-H]+ | 1 | 291.58 (0.726) | McLean | 10.1021/ac4038448 |
- | PC(36:2(OH)) | 846.5601 | [M+2Na-H]+ | 1 | 293.8 (0.459) | McLean | 10.1021/ac4038448 |
- | PS(40:1) | 846.6224 | [M+H]+ | 1 | 298.27 (0.401) | McLean | 10.1021/ac4038448 |
- | GlcCer(d43:2) | 846.6799 | [M+Na]+ | 1 | 304.79 (0.455) | McLean | 10.1021/ac4038448 |
LMGP01011014 | PC(20:0/20:0) | 846.6951 | [M+H]+ | 1 | 307.97 (2.741) | McLean | 10.1021/acs.analchem.6b01728 |
- | SM(d41:0) | 847.6645 | [M+2Na-H]+ | 1 | 303.5 (0.69) | McLean | 10.1021/ac4038448 |
LMFA07050232 | 3-methylbut-2-enoyl-CoA | 848.1509 | [M-H]- | -1 | 256.7 (0.257) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
- | PS(38:5) | 848.4844 | [M+K]+ | 1 | 288.86 (0.803) | McLean | 10.1021/ac4038448 |
- | PS(37:1) | 848.5393 | [M+2Na-H]+ | 1 | 295.79 (0.654) | McLean | 10.1021/ac4038448 |
- | PC(36:1(OH)) | 848.5757 | [M+2Na-H]+ | 1 | 295.76 (0.376) | McLean | 10.1021/ac4038448 |
LMGP01010006 | PC(18:0/18:0) | 848.6380 | [M+CH3COO-]- | -1 | 299.21 (2.124) | McLean | 10.1021/acs.analchem.6b01728 |
- | GlcCer(d42:2(OH)) | 848.6591 | [M+Na]+ | 1 | 304.26 (0.387) | McLean | 10.1021/ac4038448 |
- | SM(d43:2) | 849.6825 | [M+Na]+ | 1 | 306 (0.52) | McLean | 10.1021/ac4038448 |
LMFA07050232 | 3-methylbut-2-enoyl-CoA | 850.1612 | [M+H]+ | 1 | 256.1 (0.256) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
LMFA07050232 | 3-methylbut-2-enoyl-CoA | 850.1649 | [M+H]+ | 1 | 179.3 (0.154) | PNNL/Baker | 10.1039/C7SC03464D |
- | PS(38:4) | 850.5000 | [M+K]+ | 1 | 291.66 (0.328) | McLean | 10.1021/ac4038448 |
- | PC(36:0(OH)) | 850.5914 | [M+2Na-H]+ | 1 | 297.03 (0.561) | McLean | 10.1021/ac4038448 |
- | GlcCer(d42:1(OH)) | 850.6748 | [M+Na]+ | 1 | 306.58 (0.422) | McLean | 10.1021/ac4038448 |
- | SM(d43:1) | 851.6982 | [M+Na]+ | 1 | 306.56 (0.484) | McLean | 10.1021/ac4038448 |
LMFA07050345 | Malonyl-CoA | 852.1078 | [M-H]- | -1 | 251.79 (0.174) | PNNL/Baker | 10.1039/C7SC03464D |
- | GlcCer(d42:0(OH)) | 852.6904 | [M+Na]+ | 1 | 307.93 (0.36) | McLean | 10.1021/ac4038448 |
- | SM(d42:1(OH)) | 853.6774 | [M+Na]+ | 1 | 310.33 (0.536) | McLean | 10.1021/ac4038448 |
- | PS(38:5) | 854.4924 | [M+2Na-H]+ | 1 | 287.94 (0.545) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:2(OH)) | 854.7085 | [M+H]+ | 1 | 311.46 (0.383) | McLean | 10.1021/ac4038448 |
- | PS(38:4) | 856.5080 | [M+2Na-H]+ | 1 | 291.03 (0.519) | McLean | 10.1021/ac4038448 |
- | PS(40:7) | 856.5104 | [M+Na]+ | 1 | 291.94 (0.46) | McLean | 10.1021/ac4038448 |
- | PE(40:7) | 856.5258 | [M+K]+ | 1 | 293.42 (0.459) | McLean | 10.1021/ac4038448 |
- | PC(40:6) | 856.5832 | [M+Na]+ | 1 | 296.75 (0.305) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:1(OH)) | 856.7241 | [M+H]+ | 1 | 313.04 (0.47) | McLean | 10.1021/ac4038448 |
- | PS(40:6) | 858.5261 | [M+Na]+ | 1 | 294.01 (0.368) | McLean | 10.1021/ac4038448 |
- | PC(40:5) | 858.5988 | [M+Na]+ | 1 | 298.11 (0.669) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:3) | 858.6799 | [M+Na]+ | 1 | 306.33 (0.596) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:0(OH)) | 858.7398 | [M+H]+ | 1 | 314.33 (0.52) | McLean | 10.1021/ac4038448 |
- | PS(38:2) | 860.5393 | [M+2Na-H]+ | 1 | 294.77 (0.837) | McLean | 10.1021/ac4038448 |
- | PS(40:5) | 860.5417 | [M+Na]+ | 1 | 296.14 (0.407) | McLean | 10.1021/ac4038448 |
- | PC(40:4) | 860.6145 | [M+Na]+ | 1 | 299.77 (0.532) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:2) | 860.6955 | [M+Na]+ | 1 | 308.73 (0.451) | McLean | 10.1021/ac4038448 |
- | SM(d44:3) | 861.6825 | [M+Na]+ | 1 | 307.07 (0.65) | McLean | 10.1021/ac4038448 |
- | PS(38:1) | 862.5550 | [M+2Na-H]+ | 1 | 297.71 (0.58) | McLean | 10.1021/ac4038448 |
- | PS(40:4) | 862.5574 | [M+Na]+ | 1 | 297.55 (0.425) | McLean | 10.1021/ac4038448 |
- | GlcCer(d43:2(OH)) | 862.6748 | [M+Na]+ | 1 | 308.49 (0.548) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:1) | 862.7112 | [M+Na]+ | 1 | 310.36 (0.438) | McLean | 10.1021/ac4038448 |
- | SM(d44:2) | 863.6982 | [M+Na]+ | 1 | 308.92 (0.603) | McLean | 10.1021/ac4038448 |
- | PS(40:3) | 864.5730 | [M+Na]+ | 1 | 298.62 (0.459) | McLean | 10.1021/ac4038448 |
- | GlcCer(d43:1(OH)) | 864.6904 | [M+Na]+ | 1 | 309.05 (0.549) | McLean | 10.1021/ac4038448 |
- | SM(d44:1) | 865.7138 | [M+Na]+ | 1 | 310.29 (0.607) | McLean | 10.1021/ac4038448 |
- | PS(42:5) | 866.5911 | [M+H]+ | 1 | 297.57 (0.332) | McLean | 10.1021/ac4038448 |
- | PS(42:4) | 868.6067 | [M+H]+ | 1 | 298.73 (0.479) | McLean | 10.1021/ac4038448 |
LMGP01011014 | PC(20:0/20:0) | 868.6771 | [M+Na]+ | 1 | 310.72 (2.175) | McLean | 10.1021/acs.analchem.6b01728 |
LMFA07050232 | 3-methylbut-2-enoyl-CoA | 870.1328 | [M-2H+Na]- | -1 | 266.9 (0.267) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
- | PS(39:4) | 870.5237 | [M+2Na-H]+ | 1 | 294.26 (0.62) | McLean | 10.1021/ac4038448 |
- | PS(42:3) | 870.6224 | [M+H]+ | 1 | 300.39 (0.427) | McLean | 10.1021/ac4038448 |
- | GlcCer(d47:0) | 870.7526 | [M+Na-2H2O]+ | 1 | 316.09 (0.428) | McLean | 10.1021/ac4038448 |
- | PS(42:2) | 872.6380 | [M+H]+ | 1 | 301.87 (0.519) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:4(OH)) | 872.6591 | [M+Na]+ | 1 | 307.19 (0.637) | McLean | 10.1021/ac4038448 |
- | GlcCer(d45:0(OH)) | 872.7554 | [M+H]+ | 1 | 317.51 (0.521) | McLean | 10.1021/ac4038448 |
- | PS(40:9) | 874.4611 | [M+2Na-H]+ | 1 | 287.07 (1.34) | McLean | 10.1021/ac4038448 |
- | PS(40:6) | 874.5000 | [M+K]+ | 1 | 295.07 (0.44) | McLean | 10.1021/ac4038448 |
- | PS(42:1) | 874.6537 | [M+H]+ | 1 | 304.25 (0.577) | McLean | 10.1021/ac4038448 |
- | GlcCer(d44:3(OH)) | 874.6748 | [M+Na]+ | 1 | 309.07 (0.497) | McLean | 10.1021/ac4038448 |
- | PS(40:8) | 876.4767 | [M+2Na-H]+ | 1 | 290.25 (0.42) | McLean | 10.1021/ac4038448 |
- | PS(40:5) | 876.5157 | [M+K]+ | 1 | 296.55 (0.479) | McLean | 10.1021/ac4038448 |
- | GlcCer(d46:5(OH)) | 876.6928 | [M+H]+ | 1 | 311.09 (0.46) | McLean | 10.1021/ac4038448 |
- | PS(40:7) | 878.4924 | [M+2Na-H]+ | 1 | 292.44 (0.609) | McLean | 10.1021/ac4038448 |
- | PS(40:4) | 878.5313 | [M+K]+ | 1 | 297.77 (0.641) | McLean | 10.1021/ac4038448 |
- | GlcCer(d46:4(OH)) | 878.7085 | [M+H]+ | 1 | 311.91 (0.499) | McLean | 10.1021/ac4038448 |
- | PS(40:6) | 880.5080 | [M+2Na-H]+ | 1 | 297.95 (0.471) | McLean | 10.1021/ac4038448 |
- | PS(40:5) | 882.5237 | [M+2Na-H]+ | 1 | 299.52 (0.526) | McLean | 10.1021/ac4038448 |
- | GlcCer(d50:4) | 882.7550 | [M+H-2H2O]+ | 1 | 316.73 (0.514) | McLean | 10.1021/ac4038448 |
- | PS(40:4) | 884.5393 | [M+2Na-H]+ | 1 | 300.63 (0.619) | McLean | 10.1021/ac4038448 |
- | GlcCer(d46:2) | 884.7343 | [M+H-H2O]+ | 1 | 316.78 (0.573) | McLean | 10.1021/ac4038448 |
LMPR02010001 | Coenzyme Q10 | 885.6696 | [M+Na]+ | 1 | 306.57 (0.573) | McLean/MSMLS | 10.1021/acs.analchem.8b04322 |
- | GlcCer(d46:1) | 886.7499 | [M+H-H2O]+ | 1 | 318.72 (0.478) | McLean | 10.1021/ac4038448 |
- | PS(40:2) | 888.5706 | [M+2Na-H]+ | 1 | 301.81 (0.432) | McLean | 10.1021/ac4038448 |
- | PS(42:5) | 888.5730 | [M+Na]+ | 1 | 300.02 (0.569) | McLean | 10.1021/ac4038448 |
- | PS(40:1) | 890.5863 | [M+2Na-H]+ | 1 | 303.51 (0.591) | McLean | 10.1021/ac4038448 |
- | PS(42:4) | 890.5887 | [M+Na]+ | 1 | 301.22 (0.411) | McLean | 10.1021/ac4038448 |
- | PS(41:6) | 894.5237 | [M+2Na-H]+ | 1 | 298.52 (0.788) | McLean | 10.1021/ac4038448 |
- | PS(42:2) | 894.6200 | [M+Na]+ | 1 | 304.39 (0.419) | McLean | 10.1021/ac4038448 |
- | PS(42:9) | 896.4844 | [M+K]+ | 1 | 296.9 (0.408) | McLean | 10.1021/ac4038448 |
- | PS(41:5) | 896.5393 | [M+2Na-H]+ | 1 | 300.79 (0.486) | McLean | 10.1021/ac4038448 |
- | PS(42:1) | 896.6356 | [M+Na]+ | 1 | 305.65 (0.412) | McLean | 10.1021/ac4038448 |
- | GlcCer(d49:1) | 896.7683 | [M+Na-2H2O]+ | 1 | 320.04 (0.421) | McLean | 10.1021/ac4038448 |
- | GlcCer(d49:0) | 898.7839 | [M+Na-2H2O]+ | 1 | 321.22 (0.369) | McLean | 10.1021/ac4038448 |
- | PS(42:9) | 902.4924 | [M+2Na-H]+ | 1 | 294.94 (0.444) | McLean | 10.1021/ac4038448 |
LMGP01011099 | PC(22:0/22:0) | 902.7577 | [M+H]+ | 1 | 318.74 (5.705) | McLean | 10.1021/acs.analchem.6b01728 |
- | PS(42:8) | 904.5080 | [M+2Na-H]+ | 1 | 297.58 (0.509) | McLean | 10.1021/ac4038448 |
LMGP01011014 | PC(20:0/20:0) | 904.7006 | [M+CH3COO-]- | -1 | 310.29 (2.855) | McLean | 10.1021/acs.analchem.6b01728 |
LMPK06000002 | Amphotericin B | 906.4851 | [M+H-H2O]+ | 1 | 335.57 (0.479) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 906.4851 | [M+H-H2O]+ | 1 | 311.76 (0.953) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 906.4851 | [M+H-H2O]+ | 1 | 312.15 (0.38) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 906.4851 | [M+H-H2O]+ | 1 | 334.45 (1.128) | McLean/AB | 10.1039/C8SC04396E |
- | PS(42:7) | 906.5237 | [M+2Na-H]+ | 1 | 298.69 (0.512) | McLean | 10.1021/ac4038448 |
- | PS(44:10) | 906.5261 | [M+Na]+ | 1 | 299.23 (0.555) | McLean | 10.1021/ac4038448 |
LMPK06000004 | Nystatin A1 | 908.5007 | [M+H-H2O]+ | 1 | 302.21 (0.329) | McLean/AB | 10.1039/C8SC04396E |
- | PS(42:6) | 908.5393 | [M+2Na-H]+ | 1 | 299.83 (0.615) | McLean | 10.1021/ac4038448 |
- | PS(42:5) | 910.5550 | [M+2Na-H]+ | 1 | 302.52 (0.543) | McLean | 10.1021/ac4038448 |
- | PS(42:4) | 912.5706 | [M+2Na-H]+ | 1 | 306.59 (0.637) | McLean | 10.1021/ac4038448 |
LMPK04000004 | Tylosin | 916.5269 | [M+H]+ | 1 | 307.46 (0.338) | McLean/AB | 10.1039/C8SC04396E |
- | PS(42:2) | 916.6019 | [M+2Na-H]+ | 1 | 308.49 (0.57) | McLean | 10.1021/ac4038448 |
LMPK06000002 | Amphotericin B | 924.4956 | [M+H]+ | 1 | 324.23 (0.945) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 924.4956 | [M+H]+ | 1 | 323.52 (0.44) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 924.4956 | [M+H]+ | 1 | 335.65 (0.418) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 924.4956 | [M+H]+ | 1 | 334.93 (1.106) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 924.4956 | [M+H]+ | 1 | 311.53 (0.717) | McLean/AB | 10.1039/C8SC04396E |
LMGP01011099 | PC(22:0/22:0) | 924.7397 | [M+Na]+ | 1 | 323.9 (0.777) | McLean | 10.1021/acs.analchem.6b01728 |
LMPK06000004 | Nystatin A1 | 926.5113 | [M+H]+ | 1 | 302.6 (0.351) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000004 | Nystatin A1 | 926.5113 | [M+H]+ | 1 | 314.42 (0.419) | McLean/AB | 10.1039/C8SC04396E |
- | PS(44:8) | 932.5393 | [M+2Na-H]+ | 1 | 303.63 (0.689) | McLean | 10.1021/ac4038448 |
- | PS(44:7) | 934.5550 | [M+2Na-H]+ | 1 | 305.51 (0.843) | McLean | 10.1021/ac4038448 |
LMPK04000004 | Tylosin | 938.5089 | [M+Na]+ | 1 | 290.7 (0.32) | McLean/AB | 10.1039/C8SC04396E |
- | PS(44:5) | 938.5863 | [M+2Na-H]+ | 1 | 309.3 (0.825) | McLean | 10.1021/ac4038448 |
LMPK06000002 | Amphotericin B | 946.4749 | [M+Na]+ | 1 | 318.16 (0.838) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 946.4772 | [M+Na]+ | 1 | 295.7 (1.116) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 946.4776 | [M+Na]+ | 1 | 339.87 (1.125) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 946.4776 | [M+Na]+ | 1 | 326.2 (1.072) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 946.4776 | [M+Na]+ | 1 | 318.46 (0.818) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 946.4776 | [M+Na]+ | 1 | 298.25 (0.901) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 946.4780 | [M+Na]+ | 1 | 325.05 (0.65) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 946.4784 | [M+Na]+ | 1 | 340.9 (0.404) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000004 | Nystatin A1 | 948.4932 | [M+Na]+ | 1 | 308.53 (0.362) | McLean/AB | 10.1039/C8SC04396E |
LMPK04000004 | Tylosin | 954.4828 | [M+K]+ | 1 | 294.29 (0.324) | McLean/AB | 10.1039/C8SC04396E |
LMGP01011159 | PC(24:0/24:0) | 958.8203 | [M+H]+ | 1 | 331.76 (4.147) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01011099 | PC(22:0/22:0) | 960.7632 | [M+CH3COO-]- | -1 | 320.48 (1.218) | McLean | 10.1021/acs.analchem.6b01728 |
LMPK06000002 | Amphotericin B | 962.4515 | [M+K]+ | 1 | 343.43 (1.141) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000002 | Amphotericin B | 962.4529 | [M+K]+ | 1 | 344.51 (0.412) | McLean/AB | 10.1039/C8SC04396E |
LMPK06000004 | Nystatin A1 | 964.4672 | [M+K]+ | 1 | 305.97 (0.364) | McLean/AB | 10.1039/C8SC04396E |
LMGP01011159 | PC(24:0/24:0) | 980.8023 | [M+Na]+ | 1 | 330.66 (4.695) | McLean | 10.1021/acs.analchem.6b01728 |
LMGP01011159 | PC(24:0/24:0) | 1016.8258 | [M+CH3COO-]- | -1 | 335 (2.01) | McLean | 10.1021/acs.analchem.6b01728 |
LMPK14000003 | Cyclosporin A | 1202.8491 | [M+H]+ | 1 | 351.74 (0.383) | McLean/AB | 10.1039/C8SC04396E |
LMPK14000003 | Cyclosporin A | 1224.8311 | [M+Na]+ | 1 | 343.74 (0.364) | McLean/AB | 10.1039/C8SC04396E |
LMPK14000003 | Cyclosporin A | 1240.8050 | [M+K]+ | 1 | 350.94 (0.368) | McLean/AB | 10.1039/C8SC04396E |
LMPK04000006 | Erythromycin | 1489.9122 | [2M+Na]+ | 1 | 296.67 (0.281) | McLean/AB | 10.1039/C8SC04396E |
LMPK04000006 | Erythromycin | 1505.8861 | [2M+K]+ | 1 | 300.53 (0.861) | McLean/AB | 10.1039/C8SC04396E |