LIPID MAPS® Ion Mobility Database

— Ion Mobility Data from the Unified CCS Compendium

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* CCS/z: collision cross section (A2) divided by charge (z) SD: standard deviation

LMID Name m/z Species Charge CCS/z (SD)* Data source DOI
LMFA01010001 Palmitic acid 255.2331 [M-H] -1 169.01 (0.164) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01010001 Palmitic acid 255.2330 [M-H] -1 169.12 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01010001 Palmitic Acid 533.455129 [2M-2H+Na]- -1 240.1 (0.502) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010001 Palmitic Acid 255.232954 [M-H]- -1 166.02 (0.085) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010001 Palmitic Acid 255.232954 [M-H]- -1 182.7 (1.129) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010001 Palmitic Acid 255.232954 [M-H]- -1 239.8 (0.212) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010001 Palmitic Acid 255.232954 [M-H]- -1 257.42 (1.435) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010001 Palmitic Acid 337.236028 [M-H+CH3COONa]- -1 187.41 (0.233) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010001 Palmitic acid 279.2309 [M+Na] 1 173.19 (0.499) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01010001 Palmitic acid 279.2300 [M+Na] 1 183.46 (0.232) PNNL/Baker 10.1039/C7SC03464D
LMFA01010001 Palmitic acid 255.2324 [M-H] -1 168.36 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA01010012 Lauric Acid 421.329928 [2M-2H+Na]- -1 214.16 (0.028) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010012 Lauric acid 199.1698 [M-H] -1 154.23 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMFA01010012 Lauric Acid 281.173428 [M-H+CH3COONa]- -1 172.42 (0.549) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010012 Lauric Acid 199.170354 [M-H]- -1 167.57 (0.781) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010012 Lauric Acid 281.173428 [M-H+CH3COONa]- -1 190.61 (0.758) 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
LMFA01010014 Myristic Acid 309.204728 [M-H+CH3COONa]- -1 196.71 (0.761) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010014 Myristic Acid 309.204728 [M-H+CH3COONa]- -1 179.08 (0.499) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010014 Myristic Acid 477.392528 [2M-2H+Na]- -1 225.8 (1.064) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010014 Myristic Acid 227.201654 [M-H]- -1 158.09 (0.453) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010015 Pentadecylic acid 241.2173 [M-H] -1 165.34 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01010015 Pentadecylic acid 241.2167 [M-H] -1 164.78 (0.174) 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
LMFA01010018 Stearic acid 283.2639 [M-H] -1 177.08 (0.023) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01010018 Stearic acid 283.2637 [M-H] -1 177.11 (0.266) PNNL/Baker 10.1039/C7SC03464D
LMFA01010018 Stearic acid 283.2643 [M-H] -1 177.66 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01010018 Stearic Acid 283.264254 [M-H]- -1 174.29 (0.806) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01010018 Stearic acid 307.2613 [M+Na] 1 190 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMFA01010020 Arachidic acid 311.2956 [M-H] -1 186.17 (0.1) Agilent 10.1021/acs.analchem.7b01729
LMFA01010020 Arachidic acid 311.2953 [M-H] -1 185.12 (0.214) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01010023 Tricosylic acid 353.3407 [M-H] -1 196.88 (0.095) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01010023 Tricosylic acid 377.3368 [M+Na] 1 204.8 (0.794) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01010024 Lignoceric acid 367.3576 [M-H] -1 199.6 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMFA01010024 Lignoceric acid 391.3552 [M+Na] 1 214.86 (0) PNNL/Baker 10.1039/C7SC03464D
LMFA01010024 Lignoceric acid 367.3582 [M-H] -1 201.11 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01030001 Arachidonic Acid 303.232954 [M-H]- -1 276.22 (0.663) 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
LMFA01030001 Arachidonic Acid 385.236028 [M-H+CH3COONa]- -1 209.28 (0.141) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 303.232954 [M-H]- -1 252.75 (0.152) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic acid 327.2300 [M+Na] 1 198.9 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA01030001 Arachidonic acid 327.2300 [M+Na] 1 180.07 (0.201) 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 303.2324 [M-H] -1 181.29 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA01030001 Arachidonic Acid 629.455129 [2M-2H+Na]- -1 254.17 (0.211) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 607.473184 [2M-H]- -1 249.73 (0.806) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 303.232954 [M-H]- -1 179.14 (0.156) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 303.232954 [M-H]- -1 206.35 (0.135) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 303.232954 [M-H]- -1 214.21 (0.215) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 303.232954 [M-H]- -1 224.27 (0.198) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 385.236028 [M-H+CH3COONa]- -1 194.7 (0.172) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030001 Arachidonic Acid 303.232954 [M-H]- -1 260.33 (0.192) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030002 Oleic acid 281.2486 [M-H] -1 176.46 (0.153) Agilent 10.1021/acs.analchem.7b01729
LMFA01030002 Oleic acid 281.2480 [M-H] -1 175.22 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA01030002 Oleic Acid 363.251678 [M-H+CH3COONa]- -1 207.24 (0.697) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030002 Oleic Acid 363.251678 [M-H+CH3COONa]- -1 192.35 (0.729) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030002 Oleic Acid 281.248604 [M-H]- -1 261.12 (1.534) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030002 Oleic Acid 281.248604 [M-H]- -1 247.53 (1.156) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030002 Oleic Acid 281.248604 [M-H]- -1 186.57 (0.636) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030002 Oleic Acid 281.248604 [M-H]- -1 172.52 (0.509) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030002 Oleic Acid 585.486429 [2M-2H+Na]- -1 250.1 (1.23) 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 305.2456 [M+Na] 1 179.67 (0.174) PNNL/Baker 10.1039/C7SC03464D
LMFA01030055 Palmitoleic Acid 253.217304 [M-H]- -1 164.9 (0.891) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030055 Palmitoleic Acid 529.423829 [2M-2H+Na]- -1 235.74 (0.481) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030055 Palmitoleic Acid 253.217304 [M-H]- -1 253.4 (1.11) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030055 Palmitoleic Acid 335.220378 [M-H+CH3COONa]- -1 185.68 (1.051) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030056 cis-9-palmitoleic acid 253.2173 [M-H] -1 167.95 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01030056 cis-9-palmitoleic acid 277.2143 [M+Na] 1 171 (0.101) 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
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
LMFA01030085 cis-gondoic acid 309.2799 [M-H] -1 184.29 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01030085 cis-gondoic acid 309.2793 [M-H] -1 183.08 (0.209) PNNL/Baker 10.1039/C7SC03464D
LMFA01030085 cis-gondoic acid 333.2769 [M+Na] 1 186.8 (0.116) PNNL/Baker 10.1039/C7SC03464D
LMFA01030092 Nervonic acid 389.3375 [M+Na] 1 204.38 (0.261) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01030092 Nervonic acid 365.3405 [M-H] -1 197.48 (0.159) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01030120 Linoleic acid 303.2300 [M+Na] 1 174.72 (0.232) PNNL/Baker 10.1039/C7SC03464D
LMFA01030120 Linoleic Acid 361.236028 [M-H+CH3COONa]- -1 205.6 (0.068) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030120 Linoleic Acid 279.232954 [M-H]- -1 185.72 (0.333) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030120 Linoleic Acid 279.232954 [M-H]- -1 245.26 (0.113) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030120 Linoleic Acid 279.232954 [M-H]- -1 257.82 (0.189) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030120 Linoleic Acid 279.232954 [M-H]- -1 273.77 (0.445) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030120 Linoleic Acid 361.236028 [M-H+CH3COONa]- -1 190.81 (0.158) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030120 Linoleic acid 279.2332 [M-H] -1 174.66 (0.141) 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 581.455129 [2M-2H+Na]- -1 247.71 (0.142) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030120 Linoleic acid 303.2282 [M+Na] 1 177.02 (0.372) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01030120 Linoleic Acid 279.232954 [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
LMFA01030141 gamma-Linolenic acid 277.2164 [M-H] -1 174.77 (0.355) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01030152 alpha-linolenic acid 277.217304 [M-H]- -1 178.57 (0.269) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030152 alpha-linolenic acid 577.423829 [2M-2H+Na]- -1 244.49 (0.204) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030152 alpha-Linolenic acid 277.2173 [M-H] -1 174.88 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01030152 alpha-Linolenic acid 301.2143 [M+Na] 1 171.14 (0) PNNL/Baker 10.1039/C7SC03464D
LMFA01030152 alpha-Linolenic acid 277.2167 [M-H] -1 173.63 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMFA01030152 alpha-linolenic acid 359.220378 [M-H+CH3COONa]- -1 204.09 (0.118) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030152 alpha-linolenic acid 359.220378 [M-H+CH3COONa]- -1 189.3 (0.188) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030152 alpha-linolenic acid 277.217304 [M-H]- -1 256.45 (0.283) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030152 alpha-linolenic acid 277.217304 [M-H]- -1 242.74 (0.566) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030152 alpha-linolenic acid 277.217304 [M-H]- -1 187 (0.826) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030152 alpha-linolenic acid 277.217304 [M-H]- -1 171.23 (0.178) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030158 Dihomo-gamma-Linolenic Acid 387.251678 [M-H+CH3COONa]- -1 210.74 (0.122) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030158 bishomo-gamma-linolenic acid 305.2486 [M-H] -1 183.02 (0.058) Agilent 10.1021/acs.analchem.7b01729
LMFA01030158 bishomo-gamma-linolenic acid 329.2456 [M+Na] 1 181.58 (0.419) PNNL/Baker 10.1039/C7SC03464D
LMFA01030158 Dihomo-gamma-Linolenic Acid 305.248604 [M-H]- -1 259.23 (2.445) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030158 Dihomo-gamma-Linolenic Acid 305.248604 [M-H]- -1 178.83 (0.042) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030158 Dihomo-gamma-Linolenic Acid 633.486429 [2M-2H+Na]- -1 256.97 (0.168) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030158 Dihomo-gamma-Linolenic Acid 305.248604 [M-H]- -1 277.63 (0.595) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030158 bishomo-gamma-linolenic acid 305.2480 [M-H] -1 181.69 (0.209) PNNL/Baker 10.1039/C7SC03464D
LMFA01030158 Dihomo-gamma-Linolenic Acid 387.251678 [M-H+CH3COONa]- -1 196.28 (0.109) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 357.204728 [M-H+CH3COONa]- -1 202.38 (0.061) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 275.201654 [M-H]- -1 193.29 (0.021) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 275.201654 [M-H]- -1 258.74 (3.578) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 357.204728 [M-H+CH3COONa]- -1 221.98 (0.863) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 275.201654 [M-H]- -1 254.24 (0.709) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 275.201654 [M-H]- -1 239.6 (0.208) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 573.392528 [2M-2H+Na]- -1 241.37 (0.225) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 275.201654 [M-H]- -1 171.79 (0.377) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 275.201654 [M-H]- -1 187.33 (0.526) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030169 Stearidonic Acid 357.204728 [M-H+CH3COONa]- -1 187.89 (0.144) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030178 Adrenic Acid 355.2606 [M+Na] 1 191.87 (1.159) PNNL/Baker 10.1039/C7SC03464D
LMFA01030178 Adrenic Acid 331.2630 [M-H] -1 189.97 (1.679) PNNL/Baker 10.1039/C7SC03464D
LMFA01030178 Adrenic Acid 333.2787 [M+H] 1 188.47 (0.201) PNNL/Baker 10.1039/C7SC03464D
LMFA01030185 Docosahexaenoic Acid 409.236028 [M-H+CH3COONa]- -1 199.39 (0.787) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030185 Docosahexaenoic Acid 327.232954 [M-H]- -1 260.97 (1.174) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030185 Docosahexaenoic Acid 409.236028 [M-H+CH3COONa]- -1 213.63 (1.556) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030185 Docosahexaenoic Acid 655.473184 [2M-H]- -1 257.46 (0.789) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030185 Docosahexaenoic Acid 327.2317 [M-H] -1 190.17 (0.612) PNNL/Baker 10.1039/C7SC03464D
LMFA01030185 Docosahexaenoic Acid 677.455129 [2M-2H+Na]- -1 262.31 (1.137) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030185 Docosahexaenoic Acid 327.232954 [M-H]- -1 185.04 (0.247) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030185 Docosahexaenoic Acid 327.232954 [M-H]- -1 224.3 (2.086) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030185 Docosahexaenoic acid 351.2293 [M+Na] 1 183.32 (0.406) PNNL/Baker 10.1039/C7SC03464D
LMFA01030185 Docosahexaenoic acid 329.2474 [M+H] 1 182.89 (0.307) PNNL/Baker 10.1039/C7SC03464D
LMFA01030759 Eicosapentaenoic Acid 301.217304 [M-H]- -1 274.54 (1.793) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030759 Eicosapentaenoic Acid 625.423829 [2M-2H+Na]- -1 252 (0.21) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030759 Eicosapentaenoic Acid 301.217304 [M-H]- -1 179.22 (0.62) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030759 Eicosapentaenoic Acid 301.217304 [M-H]- -1 199.94 (0.3) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030759 Eicosapentaenoic Acid 301.217304 [M-H]- -1 250.49 (0.364) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030759 Eicosapentaenoic Acid 301.217304 [M-H]- -1 259.24 (0.257) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030759 Eicosapentaenoic Acid 383.220378 [M-H+CH3COONa]- -1 193.35 (0.36) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01030759 Eicosapentaenoic Acid 383.220378 [M-H+CH3COONa]- -1 207.86 (0.245) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01031043 Dihomolinoleic acid 331.2613 [M+Na] 1 182.32 (0.907) 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
LMFA01050033 10-hydroxy capric acid 211.1320 [M+Na] 1 151 (0.151) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01050033 10-hydroxy capric acid 187.1359 [M-H] -1 144.3 (0.144) 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
LMFA01050039 Sabinic acid 215.1663 [M-H] -1 152.61 (0.084) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA01060073 15-oxo-EDE 321.243518 [M-H]- -1 182.2 (0.667) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01060073 15-oxo-EDE 403.246593 [M-H+CH3COONa]- -1 196.3 (0.855) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01060073 15-oxo-EDE 321.243518 [M-H]- -1 262.94 (0.813) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA01060073 15-oxo-EDE 321.243518 [M-H]- -1 193.58 (0.933) Griffin/CH 10.1021/acs.analchem.8b04615
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
LMFA01170006 Sebacic acid 201.1143 [M-H] -1 144.03 (0.053) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA02000016 13-Oxo-ODE 293.2117 [M-H] -1 179.53 (0.231) PNNL/Baker 10.1039/C7SC03464D
LMFA02000016 13-Oxo-ODE 295.2273 [M+H] 1 177.48 (0.252) PNNL/Baker 10.1039/C7SC03464D
LMFA02000016 13-Oxo-ODE 317.2093 [M+Na] 1 191.55 (0.635) PNNL/Baker 10.1039/C7SC03464D
LMFA02000034 13-HpODE 645.434787 [2M-2H+Na]- -1 254.05 (0.247) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000034 13-HpODE 393.225857 [M-H+CH3COONa]- -1 194.5 (0.961) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000034 13-HpODE 311.222783 [M-H]- -1 255.41 (0.629) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000035 13-HODE 295.227868 [M-H]- -1 252.22 (0.127) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000035 13-HODE 613.444958 [2M-2H+Na]- -1 252.75 (0.184) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000035 13-HODE 295.227868 [M-H]- -1 261.21 (0.014) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000035 13-HODE 377.230942 [M-H+CH3COONa]- -1 195.38 (0.371) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000035 13-HODE 295.227868 [M-H]- -1 190.08 (0.605) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 613.444958 [2M-2H+Na]- -1 250.97 (0.401) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 295.227868 [M-H]- -1 173.96 (0.231) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 295.227868 [M-H]- -1 181.97 (0.823) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 377.230942 [M-H+CH3COONa]- -1 207.16 (0.13) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 377.230942 [M-H+CH3COONa]- -1 192.43 (0.263) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 295.227868 [M-H]- -1 249.55 (0.215) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 295.227868 [M-H]- -1 258.3 (0.595) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000037 9(10)-EpOME 295.227868 [M-H]- -1 187.99 (0.563) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000038 12(13)-EpOME 377.230942 [M-H+CH3COONa]- -1 206.76 (0.58) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000038 12(13)-EpOME 613.444958 [2M-2H+Na]- -1 249.53 (0.085) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000038 12(13)-EpOME 295.227868 [M-H]- -1 174.23 (0.941) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000038 12(13)-EpOME 295.227868 [M-H]- -1 186.76 (0.898) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000038 12(13)-EpOME 295.227868 [M-H]- -1 246.96 (0.028) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000038 12(13)-EpOME 295.227868 [M-H]- -1 258.37 (0.552) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000038 12(13)-EpOME 377.230942 [M-H+CH3COONa]- -1 192.07 (0.831) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000151 9-HODE 319.2249 [M+Na] 1 188.2 (0.855) PNNL/Baker 10.1039/C7SC03464D
LMFA02000151 9-HODE 295.2273 [M-H] -1 179.73 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMFA02000155 alpha-artemisic acid 319.2249 [M+Na] 1 190.02 (1.315) PNNL/Baker 10.1039/C7SC03464D
LMFA02000155 alpha-artemisic acid 295.2273 [M-H] -1 182.2 (0.95) PNNL/Baker 10.1039/C7SC03464D
LMFA02000161 9(10)-DiHOME 395.241507 [M-H+CH3COONa]- -1 194.25 (0.594) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000161 9(10)-DiHOME 649.466087 [2M-2H+Na]- -1 252.73 (0.446) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000161 9(10)-DiHOME 313.238433 [M-H]- -1 175.83 (0.191) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000161 9(10)-DiHOME 627.484143 [2M-H]- -1 251.98 (0.841) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000161 9(10)-DiHOME 313.238433 [M-H]- -1 189.24 (0.686) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000161 9(10)-DiHOME 313.238433 [M-H]- -1 216.08 (0.502) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA02000161 9(10)-DiHOME 313.238433 [M-H]- -1 255.37 (0.666) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010001 6-keto-PGF1-alpha 369.228262 [M-H]- -1 191.12 (0.056) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010001 6-keto-PGF1-alpha 369.228262 [M-H]- -1 215.24 (0.12) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010001 6-keto-PGF1alpha 393.2253 [M+Na] 1 203.15 (0.493) PNNL/Baker 10.1039/C7SC03464D
LMFA03010001 6-keto-PGF1alpha 369.2277 [M-H] -1 195.72 (0.1) PNNL/Baker 10.1039/C7SC03464D
LMFA03010002 PGF2-alpha 435.236422 [M-H+CH3COONa]- -1 202.07 (0.113) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010002 PGF2-alpha 353.233348 [M-H]- -1 264.92 (0.41) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010002 PGF2alpha 353.2328 [M-H] -1 193.8 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA03010002 PGF2-alpha 729.455917 [2M-2H+Na]- -1 262.67 (0.134) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010002 PGF2-alpha 707.473972 [2M-H]- -1 261.78 (0.167) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010002 PGF2-alpha 353.233348 [M-H]- -1 187.65 (0.13) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010002 PGF2alpha 377.2304 [M+Na] 1 203.77 (0.1) PNNL/Baker 10.1039/C7SC03464D
LMFA03010003 PGE2 351.217698 [M-H]- -1 185.05 (0.901) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010003 PGE2 725.424616 [2M-2H+Na]- -1 260.21 (1.777) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010003 PGE2 703.442672 [2M-H]- -1 258.16 (1.695) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010003 PGE2 351.217698 [M-H]- -1 193.04 (0.007) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010003 PGE2 351.217698 [M-H]- -1 221.07 (0.884) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010003 PGE2 351.217698 [M-H]- -1 261.39 (1.747) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010003 PGE2 433.220772 [M-H+CH3COONa]- -1 198.44 (0.959) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010004 PGD2 351.217698 [M-H]- -1 266.74 (2.135) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010004 PGD2 351.217698 [M-H]- -1 198.33 (0.311) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010004 PGD2 351.217698 [M-H]- -1 183.89 (0.59) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010004 PGD2 725.424616 [2M-2H+Na]- -1 262.25 (1.478) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010004 PGD2 375.2147 [M+Na] 1 194.79 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMFA03010004 PGD2 351.2171 [M-H] -1 189.12 (0.208) PNNL/Baker 10.1039/C7SC03464D
LMFA03010004 PGD2 703.442672 [2M-H]- -1 263.85 (1.477) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010004 PGD2 433.220772 [M-H+CH3COONa]- -1 198.43 (0.77) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010009 PGG2 367.2121 [M-H] -1 193.33 (0.265) PNNL/Baker 10.1039/C7SC03464D
LMFA03010009 PGG2 391.2096 [M+Na] 1 197.43 (0.173) PNNL/Baker 10.1039/C7SC03464D
LMFA03010010 PGH2 351.2171 [M-H] -1 189.88 (0.513) PNNL/Baker 10.1039/C7SC03464D
LMFA03010010 PGH2 375.2147 [M+Na] 1 200.73 (0.306) PNNL/Baker 10.1039/C7SC03464D
LMFA03010019 PGJ2 333.207133 [M-H]- -1 262.89 (0.275) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010019 PGJ2 689.403487 [2M-2H+Na]- -1 263.89 (0.384) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010019 PGJ2 667.421542 [2M-H]- -1 259.56 (0.286) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010019 PGJ2 333.207133 [M-H]- -1 185.06 (0.127) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010019 PGJ2 333.207133 [M-H]- -1 221.82 (0.191) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03010041 15R-PGF2alpha 353.2328 [M-H] -1 192.4 (0.115) PNNL/Baker 10.1039/C7SC03464D
LMFA03010041 15R-PGF2alpha 377.2304 [M+Na] 1 203.74 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA03010087 Prostaglandin I2 375.2147 [M+Na] 1 194.82 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMFA03010087 Prostaglandin I2 351.2171 [M-H] -1 191.61 (0.513) PNNL/Baker 10.1039/C7SC03464D
LMFA03010087 Prostaglandin I2 353.2328 [M+H] 1 199.18 (0.252) PNNL/Baker 10.1039/C7SC03464D
LMFA03010176 11B-PGF2a 377.2304 [M+Na] 1 198.32 (0.173) PNNL/Baker 10.1039/C7SC03464D
LMFA03010176 8-iso-15(R)-PGF2alpha 353.2328 [M-H] -1 197.41 (0.2) PNNL/Baker 10.1039/C7SC03464D
LMFA03010176 8-iso-15(R)-PGF2alpha 377.2304 [M+Na] 1 199.77 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA03010176 11B-PGF2a 353.2328 [M-H] -1 193.2 (0.115) PNNL/Baker 10.1039/C7SC03464D
LMFA03020001 LTB4 335.222783 [M-H]- -1 266.81 (0.23) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 LTB4 335.222783 [M-H]- -1 245 (0.262) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 LTB4 335.222783 [M-H]- -1 222.7 (1.28) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 LTB4 335.222783 [M-H]- -1 202.52 (0.067) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 LTB4 335.222783 [M-H]- -1 194.61 (0.417) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 LTB4 335.222783 [M-H]- -1 182.81 (0.05) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 Leukotriene B4 359.2198 [M+Na] 1 194.21 (0.302) PNNL/Baker 10.1039/C7SC03464D
LMFA03020001 Leukotriene B4 335.2222 [M-H] -1 186.51 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMFA03020001 LTB4 671.452843 [2M-H]- -1 263.49 (0.28) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 LTB4 417.225857 [M-H+CH3COONa]- -1 203.22 (0.113) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020001 LTB4 693.434787 [2M-2H+Na]- -1 266.43 (0.422) 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
LMFA03020002 Leukotriene E4 462.2290 [M+Na] 1 211.36 (0.1) PNNL/Baker 10.1039/C7SC03464D
LMFA03020003 Leukotriene C4 624.2955 [M-H] -1 244.81 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMFA03020003 Leukotriene C4 626.3111 [M+H] 1 254.85 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMFA03020003 Leukotriene C4 648.2931 [M+Na] 1 258.12 (0.404) PNNL/Baker 10.1039/C7SC03464D
LMFA03020006 LTD4 495.253431 [M-H]- -1 221.02 (0.17) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03020006 Leukotriene D4 495.2529 [M-H] -1 225.11 (0.208) PNNL/Baker 10.1039/C7SC03464D
LMFA03020006 Leukotriene D4 519.2505 [M+Na] 1 236.46 (0.2) PNNL/Baker 10.1039/C7SC03464D
LMFA03020006 Leukotriene D4 497.2685 [M+H] 1 232 (0.1) PNNL/Baker 10.1039/C7SC03464D
LMFA03020024 12-oxo-LTB4 333.207133 [M-H]- -1 182.44 (0.948) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03030010 Thromboxane B2 369.2277 [M-H] -1 193.47 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMFA03030010 Thromboxane B2 393.2253 [M+Na] 1 200.18 (0) PNNL/Baker 10.1039/C7SC03464D
LMFA03030016 Thromboxane B3 391.2096 [M+Na] 1 195.48 (0.473) PNNL/Baker 10.1039/C7SC03464D
LMFA03030016 Thromboxane B3 367.2121 [M-H] -1 190.18 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMFA03040001 Lipoxin A4 351.2171 [M-H] -1 193.03 (1.293) PNNL/Baker 10.1039/C7SC03464D
LMFA03040001 Lipoxin A4 375.2147 [M+Na] 1 196.03 (0.253) PNNL/Baker 10.1039/C7SC03464D
LMFA03050004 5,6-DHET 337.238433 [M-H]- -1 264.61 (0.049) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050004 5,6-DHET 419.241507 [M-H+CH3COONa]- -1 215.77 (1.301) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050004 5,6-DHET 419.241507 [M-H+CH3COONa]- -1 201.03 (0.199) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050004 5,6-DHET 697.466087 [2M-2H+Na]- -1 266.46 (0.12) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050004 5,6-DHET 675.484143 [2M-H]- -1 261.37 (0.049) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050004 5,6-DHET 337.238433 [M-H]- -1 181.79 (0.067) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050004 5,6-DHET 337.238433 [M-H]- -1 222.04 (0.042) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050006 8,9-DHET 697.466087 [2M-2H+Na]- -1 263.8 (0.368) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050006 8,9-DHET 675.484143 [2M-H]- -1 260.66 (0.042) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050006 8,9-DHET 337.238433 [M-H]- -1 182.41 (0.102) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050006 8,9-DHET 337.238433 [M-H]- -1 221.54 (0.233) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050006 8,9-DHET 419.241507 [M-H+CH3COONa]- -1 200.34 (0.176) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050006 8,9-DHET 337.238433 [M-H]- -1 263.94 (0.268) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050007 15-HETrE 403.246593 [M-H+CH3COONa]- -1 200.87 (0.187) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050007 15-HETrE 321.243518 [M-H]- -1 183.87 (0.162) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050007 15-HETrE 321.243518 [M-H]- -1 196.35 (0.304) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050007 15-HETrE 321.243518 [M-H]- -1 222.1 (0.361) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050007 15-HETrE 665.476258 [2M-2H+Na]- -1 262.29 (0.53) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050007 15-HETrE 321.243518 [M-H]- -1 262.55 (0.177) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050008 11(12)-DHET 337.238433 [M-H]- -1 264.09 (0.396) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050008 11(12)-DHET 419.241507 [M-H+CH3COONa]- -1 215.88 (1.287) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050008 11(12)-DHET 697.466087 [2M-2H+Na]- -1 262.23 (0.417) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050008 11(12)-DHET 675.484143 [2M-H]- -1 260.45 (0.184) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050008 11(12)-DHET 337.238433 [M-H]- -1 181.89 (0.275) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050008 11(12)-DHET 337.238433 [M-H]- -1 221.58 (0.41) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03050008 11(12)-DHET 419.241507 [M-H+CH3COONa]- -1 200.53 (0.501) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 319.227868 [M-H]- -1 204.93 (0.28) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 319.227868 [M-H]- -1 183.12 (0.296) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 319.227868 [M-H]- -1 198.04 (2.531) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 319.227868 [M-H]- -1 220.42 (0.745) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 319.227868 [M-H]- -1 260.18 (0.463) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 401.230942 [M-H+CH3COONa]- -1 199.98 (0.318) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 661.444958 [2M-2H+Na]- -1 260.65 (0.45) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060001 15-HETE 639.463013 [2M-H]- -1 256.57 (0.444) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5-HETE 319.227868 [M-H]- -1 202.4 (1.021) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5(S)-HETE 343.2211 [M+Na] 1 186.44 (0.894) PNNL/Baker 10.1039/C7SC03464D
LMFA03060002 5(S)-HETE 319.2235 [M-H] -1 186.27 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMFA03060002 5-HETE 401.230942 [M-H+CH3COONa]- -1 214.53 (0.226) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5-HETE 401.230942 [M-H+CH3COONa]- -1 201.66 (0.231) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5-HETE 319.227868 [M-H]- -1 260.75 (0.43) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5-HETE 319.227868 [M-H]- -1 222.08 (0.361) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5-HETE 319.227868 [M-H]- -1 182.26 (0.049) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5-HETE 639.463013 [2M-H]- -1 257.37 (0.474) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060002 5-HETE 661.444958 [2M-2H+Na]- -1 261.36 (0.426) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060003 11-HETE 661.444958 [2M-2H+Na]- -1 258.56 (0.076) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060003 11-HETE 401.230942 [M-H+CH3COONa]- -1 197.31 (0.064) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060003 11-HETE 319.227868 [M-H]- -1 260.88 (0.081) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060003 11-HETE 319.227868 [M-H]- -1 181.06 (0.092) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060003 11-HETE 639.463013 [2M-H]- -1 257.52 (0.076) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8-HETE 639.463013 [2M-H]- -1 256.09 (0.585) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8-HETE 319.227868 [M-H]- -1 180.67 (0.134) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8-HETE 319.227868 [M-H]- -1 191.6 (0.226) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8-HETE 319.227868 [M-H]- -1 206.28 (0.315) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8-HETE 319.227868 [M-H]- -1 219.41 (0.247) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8-HETE 319.227868 [M-H]- -1 244.65 (2.956) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8(S)-HETE 343.2211 [M+Na] 1 186.23 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA03060006 8-HETE 319.227868 [M-H]- -1 259.14 (0.354) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8(S)-HETE 319.2235 [M-H] -1 184.14 (0.252) PNNL/Baker 10.1039/C7SC03464D
LMFA03060006 8-HETE 401.230942 [M-H+CH3COONa]- -1 197.51 (0.197) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060006 8-HETE 661.444958 [2M-2H+Na]- -1 258.38 (0.542) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12(S)-HETE 319.2235 [M-H] -1 183.9 (1.056) PNNL/Baker 10.1039/C7SC03464D
LMFA03060007 12-HETE 401.230942 [M-H+CH3COONa]- -1 198.88 (0.271) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12-HETE 639.463013 [2M-H]- -1 257.45 (0.364) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12-HETE 661.444958 [2M-2H+Na]- -1 259.74 (0.309) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12-HETE 319.227868 [M-H]- -1 193.65 (0.601) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12-HETE 319.227868 [M-H]- -1 178.86 (0.236) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12-HETE 319.227868 [M-H]- -1 260.93 (0.342) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12-HETE 319.227868 [M-H]- -1 241.99 (1.556) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12-HETE 319.227868 [M-H]- -1 220.24 (0.559) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060007 12(S)-HETE 343.2211 [M+Na] 1 191.52 (0.823) PNNL/Baker 10.1039/C7SC03464D
LMFA03060008 12(R)-HETE 319.2235 [M-H] -1 183.18 (0.173) PNNL/Baker 10.1039/C7SC03464D
LMFA03060008 12(R)-HETE 343.2211 [M+Na] 1 192.57 (0) PNNL/Baker 10.1039/C7SC03464D
LMFA03060019 15-oxo-ETE 317.212218 [M-H]- -1 180.99 (0.162) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060019 15-oxo-ETE 399.215292 [M-H+CH3COONa]- -1 194.7 (0.382) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 401.230942 [M-H+CH3COONa]- -1 196.49 (0.191) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 661.444958 [2M-2H+Na]- -1 258.29 (0.113) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 639.463013 [2M-H]- -1 256.25 (0.142) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 319.227868 [M-H]- -1 178.17 (0.099) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 319.227868 [M-H]- -1 191.46 (0.134) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 319.227868 [M-H]- -1 198.46 (0.12) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 319.227868 [M-H]- -1 218.54 (0.148) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03060026 9-HETE 319.227868 [M-H]- -1 259.62 (0.142) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03070002 8-HEPE 317.212218 [M-H]- -1 257.98 (0.325) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03070002 8-HEPE 657.413658 [2M-2H+Na]- -1 256.53 (0.53) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03070002 8-HEPE 635.431713 [2M-H]- -1 255.02 (0.598) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03070002 8-HEPE 317.212218 [M-H]- -1 181.92 (0.29) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03070002 8-HEPE 317.212218 [M-H]- -1 203.15 (0.327) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03070007 12-HEPE 399.215292 [M-H+CH3COONa]- -1 198.09 (0.622) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080002 5(6)-EET 661.444958 [2M-2H+Na]- -1 259.12 (0.337) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080002 5(6)-EET 401.230942 [M-H+CH3COONa]- -1 211.62 (0.87) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080002 5(6)-EET 319.227868 [M-H]- -1 257.12 (0.482) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080002 5(6)-EET 319.227868 [M-H]- -1 261.84 (0.424) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080002 5(6)-EET 401.230942 [M-H+CH3COONa]- -1 197.13 (0.234) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080002 5(6)-EET 319.227868 [M-H]- -1 180.95 (0.3) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080003 8(9)-EET 401.230942 [M-H+CH3COONa]- -1 196.9 (0.76) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080003 8(9)-EET 319.227868 [M-H]- -1 257.67 (0.699) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080003 8(9)-EET 319.2235 [M-H] -1 183.71 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA03080003 8(9)-EET 343.2211 [M+Na] 1 185.9 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA03080003 8(9)-EET 401.230942 [M-H+CH3COONa]- -1 211.19 (0.197) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080003 8(9)-EET 661.444958 [2M-2H+Na]- -1 258.25 (0.475) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080003 8(9)-EET 319.227868 [M-H]- -1 179.39 (0.485) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03080003 8(9)-EET 319.227868 [M-H]- -1 191.31 (1.167) 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
LMFA03080005 14,15-Epoxyeicosatrienoic acid 319.2235 [M-H] -1 186.67 (0.173) PNNL/Baker 10.1039/C7SC03464D
LMFA03080005 14,15-Epoxyeicosatrienoic acid 343.2211 [M+Na] 1 180.72 (0.231) PNNL/Baker 10.1039/C7SC03464D
LMFA03090010 11(12)-EET 661.444958 [2M-2H+Na]- -1 257.92 (0.456) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03090010 11(12)-EET 319.227868 [M-H]- -1 217.1 (0.756) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03090010 11(12)-EET 319.227868 [M-H]- -1 257.49 (0.529) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03090010 11(12)-EET 401.230942 [M-H+CH3COONa]- -1 197.46 (0.225) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03090010 11(12)-EET 401.230942 [M-H+CH3COONa]- -1 210.61 (0.515) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03090010 11(12)-EET 319.227868 [M-H]- -1 179.75 (0.158) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03090010 11(12)-EET 319.227868 [M-H]- -1 192.1 (1.546) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03090011 11,12-Epoxyeicosatrienoic acid 319.2235 [M-H] -1 184.08 (0.361) PNNL/Baker 10.1039/C7SC03464D
LMFA03090011 11,12-Epoxyeicosatrienoic acid 343.2211 [M+Na] 1 186.1 (0.208) PNNL/Baker 10.1039/C7SC03464D
LMFA03110001 8-iso-PGF2-alpha 353.233348 [M-H]- -1 252.54 (1.386) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03110001 8-iso-PGF2-alpha 435.236422 [M-H+CH3COONa]- -1 202.75 (0.021) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03110001 8-iso-PGF2-alpha 729.455917 [2M-2H+Na]- -1 265.32 (0.233) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03110001 8-iso-PGF2-alpha 707.473972 [2M-H]- -1 263.08 (0.156) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03110001 8-iso-PGF2-alpha 353.233348 [M-H]- -1 191.54 (0.042) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03110001 15-F2t-IsoP 353.2328 [M-H] -1 196.27 (0.174) PNNL/Baker 10.1039/C7SC03464D
LMFA03110001 15-F2t-IsoP 377.2304 [M+Na] 1 198.04 (0.116) PNNL/Baker 10.1039/C7SC03464D
LMFA03110001 8-iso-PGF2-alpha 353.233348 [M-H]- -1 224.15 (0.884) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03110001 8-iso-PGF2-alpha 353.233348 [M-H]- -1 266.34 (0.078) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA03110012 5-iPF2alpha-VI 377.2304 [M+Na] 1 203.6 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA03110012 5-iPF2alpha-VI 353.2328 [M-H] -1 194 (0.416) PNNL/Baker 10.1039/C7SC03464D
LMFA04000012 17-HDoHE 425.230942 [M-H+CH3COONa]- -1 203.15 (0.212) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000012 17(S)-HDHA 343.2273 [M-H] -1 193.87 (0.302) PNNL/Baker 10.1039/C7SC03464D
LMFA04000012 17-HDoHE 343.227868 [M-H]- -1 187.4 (0.747) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000012 17(S)-HDHA 367.2249 [M+Na] 1 189.73 (0.697) PNNL/Baker 10.1039/C7SC03464D
LMFA04000025 7-HDoHE 425.230942 [M-H+CH3COONa]- -1 199.78 (1.036) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000025 7-HDoHE 343.227868 [M-H]- -1 185.95 (0.598) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000025 7-HDoHE 343.227868 [M-H]- -1 206.8 (0.092) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000025 7-HDoHE 343.227868 [M-H]- -1 266.2 (0.092) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000029 13-HDoHE 425.230942 [M-H+CH3COONa]- -1 203.15 (0.212) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000029 13-HDoHE 343.227868 [M-H]- -1 187.4 (0.747) Griffin/CH 10.1021/acs.analchem.8b04615
LMFA04000058 14(S)-HDHA 367.2249 [M+Na] 1 188.28 (0.115) PNNL/Baker 10.1039/C7SC03464D
LMFA04000058 14(S)-HDHA 343.2273 [M-H] -1 189.29 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA04030001 Resolvin D2 375.2171 [M-H] -1 139.2 (0.1) PNNL/Baker 10.1039/C7SC03464D
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
LMFA04030011 Resolvin D1 375.2171 [M-H] -1 139.2 (0.115) PNNL/Baker 10.1039/C7SC03464D
LMFA04050001 7(R)-Maresin-1 359.2222 [M-H] -1 192.57 (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
LMFA04050003 7(S)-Maresin-1 383.2198 [M+Na] 1 194.96 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMFA04050003 7(S)-Maresin-1 359.2222 [M-H] -1 192.54 (0.2) PNNL/Baker 10.1039/C7SC03464D
LMFA07010468 ethyl tetradecanoate 745.6284 [M+Na] 1 291.36 (0.142) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07040003 4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one 153.0528 [M+Na] 1 142.32 (0.785) PNNL/Baker 10.1039/C7SC03464D
LMFA07050232 3-methylbut-2-enoyl-CoA 850.1649 [M+H] 1 179.3 (0.154) PNNL/Baker 10.1039/C7SC03464D
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 870.1328 [M-2H+Na] -1 266.9 (0.267) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07050232 3-methylbut-2-enoyl-CoA 848.1509 [M-H] -1 256.7 (0.257) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07050345 Malonyl-CoA 852.1078 [M-H] -1 251.79 (0.174) PNNL/Baker 10.1039/C7SC03464D
LMFA07070004 Palmitoylcarnitine 422.3246 [M+Na] 1 214.07 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMFA07070004 Palmitoylcarnitine 400.3427 [M+H] 1 228.2 (0.173) PNNL/Baker 10.1039/C7SC03464D
LMFA07070004 Palmitoylcarnitine 400.3385 [M+H] 1 213.9 (0.214) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07070004 Palmitoylcarnitine 422.3201 [M+Na] 1 219.7 (0.439) 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
LMFA07070062 Dodecanoylcarnitine 366.2620 [M+Na] 1 215.46 (0.361) PNNL/Baker 10.1039/C7SC03464D
LMFA07070062 Dodecanoylcarnitine 344.2801 [M+H] 1 199.57 (0.252) PNNL/Baker 10.1039/C7SC03464D
LMFA07070062 Dodecanoylcarnitine 366.2599 [M+Na] 1 209.4 (0.209) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07070062 Dodecanoylcarnitine 344.2782 [M+H] 1 199 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07070063 Elaidic carnitine 426.3583 [M+H] 1 226.45 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMFA07070063 Elaidic carnitine 448.3403 [M+Na] 1 216.68 (0.1) PNNL/Baker 10.1039/C7SC03464D
LMFA07070066 Glutarylcarnitine 274.1299 [M-H] -1 165.3 (0.165) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07070066 Glutarylcarnitine 276.1415 [M+H] 1 161.1 (0.161) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA07070066 Glutarylcarnitine 298.1242 [M+Na] 1 167.1 (0.167) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA08010006 lipoamide 228.0482 [M+Na] 1 150.4 (0.15) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMFA12000118 Heptan-4-one 341.1825 [M+H] 2 120.99 (2.667) McLean/AB 10.1039/C8SC04396E
LMGL01010005 Oleoyl-glycerol 379.2805 [M+Na] 1 197.27 (0.481) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMGL01010005 Oleoyl-glycerol 357.2985 [M+H] 1 202.78 (0.3) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMGL02010009 Dipalmitoylglycerol 591.4938 [M+Na] 1 252.13 (0.089) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMGL02010009 Dipalmitoylglycerol 607.4658 [M+K] 1 254.95 (0.17) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMGP01010006 PC(18:0/18:0) 812.6145 [M+Na] 1 298.63 (1.583) McLean 10.1021/acs.analchem.6b01728
LMGP01010006 PC(18:0/18:0) 790.6325 [M+H] 1 297.62 (0.387) McLean 10.1021/acs.analchem.6b01728
LMGP01010006 PC(18:0/18:0) 848.6380 [M+CH3COO-] -1 299.21 (2.124) McLean 10.1021/acs.analchem.6b01728
LMGP01010380 PC(10:0/10:0) 588.3641 [M+Na] 1 252.25 (1.135) McLean 10.1021/acs.analchem.6b01728
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) 624.3876 [M+CH3COO-] -1 256.36 (0.231) McLean 10.1021/acs.analchem.6b01728
LMGP01010380 PC(10:0/10:0) 566.3822 [M+H] 1 247.53 (0.941) McLean 10.1021/acs.analchem.6b01728
LMGP01010380 PC(10:0/10:0) 588.3616 [M+Na] 1 252.3 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMGP01010407 PC(11:0/11:0) 616.3954 [M+Na] 1 258.14 (0.241) PNNL/Baker 10.1039/C7SC03464D
LMGP01010429 PC(12:0/12:0) 622.4448 [M+H] 1 260.59 (1.068) 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
LMGP01010429 PC(12:0/12:0) 644.4267 [M+Na] 1 263.74 (1.108) McLean 10.1021/acs.analchem.6b01728
LMGP01010477 PC(14:0/14:0) 334.0668 [M+Na] 1 128.74 (0.557) PNNL/Baker 10.1039/C7SC03464D
LMGP01010477 PC(14:0/14:0) 312.0848 [M+H] 1 126.47 (0.569) PNNL/Baker 10.1039/C7SC03464D
LMGP01010477 PC(14:0/14:0) 678.5074 [M+H] 1 272.46 (1.553) McLean 10.1021/acs.analchem.6b01728
LMGP01010477 PC(14:0/14:0) 736.5128 [M+CH3COO-] -1 278.55 (1.95) McLean 10.1021/acs.analchem.6b01728
LMGP01010477 PC(14:0/14:0) 700.4893 [M+Na] 1 274.48 (1.263) 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
LMGP01010564 PC(16:0/16:0) 734.5699 [M+H] 1 284.6 (1.651) McLean 10.1021/acs.analchem.6b01728
LMGP01010564 PC(16:0/16:0) 756.5519 [M+Na] 1 286.2 (1.86) McLean 10.1021/acs.analchem.6b01728
LMGP01010612 PC(16:0/2:0) 560.3328 [M+Na] 1 239.83 (1.323) 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
LMGP01010684 PC(16:1(9Z)/16:1(9Z)) 730.5387 [M+H] 1 277.53 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMGP01010684 PC(16:1(9Z)/16:1(9Z)) 752.5206 [M+Na] 1 280.45 (0.438) 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
LMGP01010768 PC(18:0/18:2(9Z,12Z)) 524.3716 [M+H] 1 241.44 (0.115) PNNL/Baker 10.1039/C7SC03464D
LMGP01010884 PC(18:1(9Z)/16:0) 782.5675 [M+Na] 1 291.18 (1.365) PNNL/Baker 10.1039/C7SC03464D
LMGP01010884 PC(18:1(9Z)/16:0) 760.5856 [M+H] 1 287.03 (0.704) PNNL/Baker 10.1039/C7SC03464D
LMGP01010890 PC(18:1(9Z)/18:1(9Z)) 808.5832 [M+Na] 1 295.96 (1.387) PNNL/Baker 10.1039/C7SC03464D
LMGP01010890 PC(18:1(9Z)/18:1(9Z)) 786.6012 [M+H] 1 292.41 (1.219) PNNL/Baker 10.1039/C7SC03464D
LMGP01011014 PC(20:0/20:0) 868.6771 [M+Na] 1 310.72 (2.175) McLean 10.1021/acs.analchem.6b01728
LMGP01011014 PC(20:0/20:0) 846.6951 [M+H] 1 307.97 (2.741) McLean 10.1021/acs.analchem.6b01728
LMGP01011014 PC(20:0/20:0) 904.7006 [M+CH3COO-] -1 310.29 (2.855) McLean 10.1021/acs.analchem.6b01728
LMGP01011099 PC(22:0/22:0) 902.7577 [M+H] 1 318.74 (5.705) 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
LMGP01011099 PC(22:0/22:0) 924.7397 [M+Na] 1 323.9 (0.777) 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
LMGP01011159 PC(24:0/24:0) 958.8203 [M+H] 1 331.76 (4.147) McLean 10.1021/acs.analchem.6b01728
LMGP01011159 PC(24:0/24:0) 980.8023 [M+Na] 1 330.66 (4.695) McLean 10.1021/acs.analchem.6b01728
LMGP01011229 PC(6:0/6:0) 476.2389 [M+Na] 1 220.63 (0.794) McLean 10.1021/acs.analchem.6b01728
LMGP01011229 PC(6:0/6:0) 454.2570 [M+H] 1 215.36 (0.625) 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
LMGP01011251 PC(8:0/8:0) 568.3250 [M+CH3COO-] -1 245.4 (2.16) McLean 10.1021/acs.analchem.6b01728
LMGP01011251 PC(8:0/8:0) 532.3015 [M+Na] 1 237.96 (1.095) McLean 10.1021/acs.analchem.6b01728
LMGP01011251 PC(8:0/8:0) 510.3196 [M+H] 1 232.52 (1.116) McLean 10.1021/acs.analchem.6b01728
LMGP01020046 PC(O-16:0/2:0) 546.3535 [M+Na] 1 243.29 (1.803) PNNL/Baker 10.1039/C7SC03464D
LMGP01020046 PC(O-16:0/2:0) 522.3559 [M-H] -1 230.45 (0.3) PNNL/Baker 10.1039/C7SC03464D
LMGP01020046 PC(O-16:0/2:0) 546.3535 [M+Na] 1 238.54 (0.404) 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
LMGP01020078 PC(O-17:0/2:0) 538.3872 [M+H] 1 243.46 (0.115) 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
LMGP01020094 PC(O-18:0/2:0) 574.3848 [M+Na] 1 246.76 (0.2) 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
LMGP01050012 PC(14:0/0:0) 490.2909 [M+Na] 1 223.65 (0.252) PNNL/Baker 10.1039/C7SC03464D
LMGP01050012 PC(14:0/0:0) 468.3090 [M+H] 1 220.11 (0.2) 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
LMGP01050018 PC(16:0/0:0) 496.3403 [M+H] 1 233.55 (0.404) 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
LMGP01050026 PC(18:0/0:0) 546.3535 [M+Na] 1 238.08 (0.289) 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
LMGP01050032 PC(18:1(9Z)/0:0) 522.3559 [M+H] 1 232.48 (0.253) 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
LMGP01050041 PC(19:0/0:0) 538.3872 [M+H] 1 241.81 (0.208) 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
LMGP01050045 PC(20:0/0:0) 552.4029 [M+H] 1 246.27 (0.1) PNNL/Baker 10.1039/C7SC03464D
LMGP01050057 PC(24:0/0:0) 630.4474 [M+Na] 1 259.97 (0.321) PNNL/Baker 10.1039/C7SC03464D
LMGP01060014 PC(O-18:0/0:0) 530.3586 [M+Na] 1 234.74 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMGP01060014 PC(O-18:0/0:0) 508.3767 [M+H] 1 236.13 (0.208) PNNL/Baker 10.1039/C7SC03464D
LMGP02010009 PE(16:0/18:1(9Z)) 740.5206 [M+Na] 1 281.68 (1.887) McLean 10.1021/acs.analchem.6b01728
LMGP02010009 PE(16:0/18:1(9Z)) 716.5230 [M-H] -1 267.53 (0.455) 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
LMGP02010036 PE(18:0/18:1(9Z)) 768.5519 [M+Na] 1 287.75 (1.985) 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
LMGP02010036 PE(18:0/18:1(9Z)) 744.5543 [M-H] -1 273.46 (0.902) McLean 10.1021/acs.analchem.6b01728
LMGP02010037 PE(16:0/16:0) 714.5049 [M+Na] 1 277.32 (0.86) 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
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) 690.5053 [M-H] -1 262.25 (0.166) McLean/MSMLS 10.1021/acs.analchem.8b04322
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)) 744.5543 [M+H] 1 279.77 (1.93) McLean 10.1021/acs.analchem.6b01728
LMGP02010052 PE(18:1(9Z)/18:1(9Z)) 742.5387 [M-H] -1 272.27 (0.517) McLean 10.1021/acs.analchem.6b01728
LMGP02010052 PE(18:1(9Z)/18:1(9Z)) 766.5362 [M+Na] 1 284.87 (0.153) PNNL/Baker 10.1039/C7SC03464D
LMGP02010052 PE(18:1(9Z)/18:1(9Z)) 744.5543 [M+H] 1 284.87 (0.1) PNNL/Baker 10.1039/C7SC03464D
LMGP02010052 PE(18:1(9Z)/18:1(9Z)) 766.5362 [M+Na] 1 285.91 (0.743) McLean 10.1021/acs.analchem.6b01728
LMGP02010097 PE(18:0/18:0) 746.5699 [M-H] -1 274.64 (0.33) McLean 10.1021/acs.analchem.6b01728
LMGP02010097 PE(18:0/18:0) 770.5675 [M+Na] 1 289.76 (1.188) McLean 10.1021/acs.analchem.6b01728
LMGP02010097 PE(18:0/18:0) 748.5856 [M+H] 1 286.13 (0.229) 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
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) 602.3798 [M+Na] 1 253.71 (0.964) McLean 10.1021/acs.analchem.6b01728
LMGP02010101 PE(10:0/10:0) 546.3172 [M+Na] 1 242.92 (0.923) McLean 10.1021/acs.analchem.6b01728
LMGP02010101 PE(10:0/10:0) 524.3352 [M+H] 1 235.4 (0.4) McLean 10.1021/acs.analchem.6b01728
LMGP02010101 PE(10:0/10:0) 522.3196 [M-H] -1 225.89 (0.497) McLean 10.1021/acs.analchem.6b01728
LMGP02010102 PE(8:0/8:0) 490.2546 [M+Na] 1 227.47 (0.887) McLean 10.1021/acs.analchem.6b01728
LMGP02010102 PE(8:0/8:0) 468.2726 [M+H] 1 220.28 (0.154) McLean 10.1021/acs.analchem.6b01728
LMGP02010102 PE(8:0/8:0) 466.2570 [M-H] -1 213.43 (0.363) McLean 10.1021/acs.analchem.6b01728
LMGP02010104 PE(6:0/6:0) 434.1920 [M+Na] 1 208.36 (0.813) McLean 10.1021/acs.analchem.6b01728
LMGP02010104 PE(6:0/6:0) 412.2100 [M+H] 1 202.92 (2.212) McLean 10.1021/acs.analchem.6b01728
LMGP02010104 PE(6:0/6:0) 410.1944 [M-H] -1 201.77 (0.464) McLean 10.1021/acs.analchem.6b01728
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
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
LMGP02010108 PE(16:1(9Z)/16:1(9Z)) 710.4736 [M+Na] 1 271.59 (1.439) McLean 10.1021/acs.analchem.6b01728
LMGP02010352 PE(14:0/14:0) 658.4424 [M+Na] 1 263.29 (0.869) McLean 10.1021/acs.analchem.6b01728
LMGP02010352 PE(14:0/14:0) 636.4604 [M+H] 1 261.16 (1.462) McLean 10.1021/acs.analchem.6b01728
LMGP02010352 PE(14:0/14:0) 634.4448 [M-H] -1 250.76 (0.376) McLean 10.1021/acs.analchem.6b01728
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
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
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
LMGP02011213 PE(17:0/17:0) 718.5387 [M-H] -1 268.62 (0.564) McLean 10.1021/acs.analchem.6b01728
LMGP02011213 PE(17:0/17:0) 720.5543 [M+H] 1 279.34 (1.844) McLean 10.1021/acs.analchem.6b01728
LMGP02011213 PE(17:0/17:0) 742.5362 [M+Na] 1 282.12 (1.806) McLean 10.1021/acs.analchem.6b01728
LMPK04000004 Tylosin 954.4828 [M+K] 1 294.29 (0.324) McLean/AB 10.1039/C8SC04396E
LMPK04000004 Tylosin 916.5269 [M+H] 1 307.46 (0.338) McLean/AB 10.1039/C8SC04396E
LMPK04000004 Tylosin 938.5089 [M+Na] 1 290.7 (0.32) McLean/AB 10.1039/C8SC04396E
LMPK04000006 Erythromycin 1489.9122 [2M+Na] 1 296.67 (0.281) McLean/AB 10.1039/C8SC04396E
LMPK04000006 Erythromycin 756.4510 [M+Na] 1 198.96 (0.239) McLean/AB 10.1039/C8SC04396E
LMPK04000006 Erythromycin 772.4249 [M+K] 1 197.46 (0.338) McLean/AB 10.1039/C8SC04396E
LMPK04000006 Erythromycin 716.4585 [M+H-H2O] 1 197.57 (0.222) McLean/AB 10.1039/C8SC04396E
LMPK04000006 Erythromycin 734.4690 [M+H] 1 193.32 (0.252) McLean/AB 10.1039/C8SC04396E
LMPK04000006 Erythromycin 716.4585 [M+H-H2O] 1 191.37 (0.411) McLean/AB 10.1039/C8SC04396E
LMPK04000006 Erythromycin 1505.8861 [2M+K] 1 300.53 (0.861) McLean/AB 10.1039/C8SC04396E
LMPK04000012 Erythromycin B 740.4561 [M+Na] 1 197.64 (0.232) McLean/AB 10.1039/C8SC04396E
LMPK04000012 Erythromycin B 718.4741 [M+H] 1 194.38 (0.206) McLean/AB 10.1039/C8SC04396E
LMPK04000014 Clarithromycin 770.4636 [M+Na] 1 270.55 (0.326) McLean/AB 10.1039/C8SC04396E
LMPK04000014 Clarithromycin 786.4367 [M+K] 1 268.86 (0.352) McLean/AB 10.1039/C8SC04396E
LMPK04000014 Clarithromycin 748.4832 [M+H] 1 266.68 (0.334) McLean/AB 10.1039/C8SC04396E
LMPK06000002 Amphotericin B 924.4956 [M+H] 1 324.23 (0.945) McLean/AB 10.1039/C8SC04396E
LMPK06000002 Amphotericin B 962.4515 [M+K] 1 343.43 (1.141) 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 924.4956 [M+H] 1 335.65 (0.418) 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 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
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 946.4749 [M+Na] 1 318.16 (0.838) 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 906.4851 [M+H-H2O] 1 312.15 (0.38) McLean/AB 10.1039/C8SC04396E
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] 1 334.45 (1.128) 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 962.4529 [M+K] 1 344.51 (0.412) McLean/AB 10.1039/C8SC04396E
LMPK06000002 Amphotericin B 924.4956 [M+H] 1 311.53 (0.717) McLean/AB 10.1039/C8SC04396E
LMPK06000004 Nystatin A1 948.4932 [M+Na] 1 308.53 (0.362) McLean/AB 10.1039/C8SC04396E
LMPK06000004 Nystatin A1 926.5113 [M+H] 1 302.6 (0.351) McLean/AB 10.1039/C8SC04396E
LMPK06000004 Nystatin A1 908.5007 [M+H-H2O] 1 302.21 (0.329) McLean/AB 10.1039/C8SC04396E
LMPK06000004 Nystatin A1 926.5113 [M+H] 1 314.42 (0.419) McLean/AB 10.1039/C8SC04396E
LMPK06000004 Nystatin A1 964.4672 [M+K] 1 305.97 (0.364) McLean/AB 10.1039/C8SC04396E
LMPK12010001 Delphinidin 303.0505 [M*] 1 169.74 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMPK12010002 Cyanidin 287.0556 [M*] 1 166.62 (0.265) PNNL/Baker 10.1039/C7SC03464D
LMPK12010004 Malvidin 331.0818 [M*] 1 176.88 (0.174) PNNL/Baker 10.1039/C7SC03464D
LMPK12020001 Catechin 313.0688 [M+Na] 1 182.69 (0.253) PNNL/Baker 10.1039/C7SC03464D
LMPK12020001 Catechin 291.0869 [M+H] 1 163.63 (0.174) PNNL/Baker 10.1039/C7SC03464D
LMPK12020001 Catechin 289.0712 [M-H] -1 159.16 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMPK12040009 Amentoflavone 537.0822 [M-H] -1 216.15 (0.209) PNNL/Baker 10.1039/C7SC03464D
LMPK12040009 Amentoflavone 539.0978 [M+H] 1 229.02 (0.307) PNNL/Baker 10.1039/C7SC03464D
LMPK12050037 Formononetin 267.0657 [M-H] -1 168.2 (0.837) PNNL/Baker 10.1039/C7SC03464D
LMPK12050037 Formononetin 291.0633 [M+Na] 1 174.49 (0.532) PNNL/Baker 10.1039/C7SC03464D
LMPK12050038 Daidzein 277.0477 [M+Na] 1 171.51 (0.115) PNNL/Baker 10.1039/C7SC03464D
LMPK12050038 Daidzein 253.0501 [M-H] -1 161.52 (0.416) PNNL/Baker 10.1039/C7SC03464D
LMPK12050038 Daidzein 255.0657 [M+H] 1 155.76 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMPK12050218 Genistein 269.0450 [M-H] -1 163.32 (0.115) PNNL/Baker 10.1039/C7SC03464D
LMPK12050218 Genistein 271.0606 [M+H] 1 176 (0.7) PNNL/Baker 10.1039/C7SC03464D
LMPK12050218 Genistein 293.0426 [M+Na] 1 161.77 (0.551) PNNL/Baker 10.1039/C7SC03464D
LMPK12050229 Biochanin A 283.0606 [M-H] -1 169.56 (0.201) PNNL/Baker 10.1039/C7SC03464D
LMPK12050353 Prunetin 283.0606 [M-H] -1 174.3 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMPK12050353 Prunetin 285.0763 [M+H] 1 164.69 (0.806) PNNL/Baker 10.1039/C7SC03464D
LMPK12050353 Prunetin 307.0582 [M+Na] 1 179.73 (1.492) PNNL/Baker 10.1039/C7SC03464D
LMPK12060007 Rotenone 417.1314 [M+Na] 1 197.76 (0.496) PNNL/Baker 10.1039/C7SC03464D
LMPK12060007 Rotenone 395.1495 [M+H] 1 211.17 (0.654) PNNL/Baker 10.1039/C7SC03464D
LMPK12060007 Rotenone 393.1338 [M-H] -1 201.51 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMPK12110001 Myricetin 341.0273 [M+Na] 1 172.76 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMPK12110001 Myricetin 319.0454 [M+H] 1 192.08 (0.806) PNNL/Baker 10.1039/C7SC03464D
LMPK12110002 Isorhamnetin 315.0505 [M-H] -1 173.73 (0.29) PNNL/Baker 10.1039/C7SC03464D
LMPK12110002 Isorhamnetin 339.0481 [M+Na] 1 171.33 (0.353) PNNL/Baker 10.1039/C7SC03464D
LMPK12110002 Isorhamnetin 317.0661 [M+H] 1 194.07 (0.554) PNNL/Baker 10.1039/C7SC03464D
LMPK12110003 Kaempferol 285.0399 [M-H] -1 165.09 (0.669) PNNL/Baker 10.1039/C7SC03464D
LMPK12110003 Kaempferol 287.0556 [M+H] 1 164.43 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMPK12110003 Kaempferol 309.0375 [M+Na] 1 185.44 (0.659) PNNL/Baker 10.1039/C7SC03464D
LMPK12110468 Acacetin 285.0763 [M+H] 1 166.23 (0.878) PNNL/Baker 10.1039/C7SC03464D
LMPK12110468 Acacetin 283.0606 [M-H] -1 172.06 (0.704) 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
LMPK12110880 Tricetin 3',4',5'-trimethyl ether 343.0818 [M-H] -1 190.71 (1.046) 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
LMPK12111442 Nevadensin 181.0477 [M+Na] 1 138.14 (0.461) PNNL/Baker 10.1039/C7SC03464D
LMPK12111442 Nevadensin 157.0501 [M-H] -1 130.79 (0.209) PNNL/Baker 10.1039/C7SC03464D
LMPK12111443 Tangeretin 373.1287 [M+H] 1 186.14 (0) PNNL/Baker 10.1039/C7SC03464D
LMPK12111443 Tangeretin 395.1107 [M+Na] 1 206.19 (0.232) PNNL/Baker 10.1039/C7SC03464D
LMPK12120096 Isoliquiritigenin 279.0633 [M+Na] 1 185.61 (1.107) PNNL/Baker 10.1039/C7SC03464D
LMPK12120096 Isoliquiritigenin 257.0814 [M+H] 1 163.5 (0.307) PNNL/Baker 10.1039/C7SC03464D
LMPK12120096 Isoliquiritigenin 255.0657 [M-H] -1 163.42 (0.706) PNNL/Baker 10.1039/C7SC03464D
LMPK12140001 Naringenin 273.0763 [M+H] 1 166.39 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMPK12140001 Naringenin 271.0606 [M-H] -1 166.5 (0.727) PNNL/Baker 10.1039/C7SC03464D
LMPK12140002 Eriodictyol 289.0712 [M+H] 1 180.46 (0.116) PNNL/Baker 10.1039/C7SC03464D
LMPK12140002 Eriodictyol 311.0532 [M+Na] 1 168.88 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMPK12140003 Hesperetin 303.0869 [M+H] 1 182.72 (0.438) PNNL/Baker 10.1039/C7SC03464D
LMPK12140003 Hesperetin 301.0712 [M-H] -1 177.6 (0.116) PNNL/Baker 10.1039/C7SC03464D
LMPK12140003 Hesperetin 325.0688 [M+Na] 1 174.89 (0.307) PNNL/Baker 10.1039/C7SC03464D
LMPK12140216 Pinostrobin 271.0970 [M+H] 1 162.7 (0.901) PNNL/Baker 10.1039/C7SC03464D
LMPK12140216 Pinostrobin 269.0814 [M-H] -1 167.96 (1.646) PNNL/Baker 10.1039/C7SC03464D
LMPK13040008 Emodin 271.0606 [M+H] 1 159.78 (0.878) PNNL/Baker 10.1039/C7SC03464D
LMPK13040008 Emodin 269.0450 [M-H] -1 156.13 (0.209) PNNL/Baker 10.1039/C7SC03464D
LMPK14000003 Cyclosporin A 1202.8491 [M+H] 1 351.74 (0.383) McLean/AB 10.1039/C8SC04396E
LMPK14000003 Cyclosporin A 601.9253 [M+2H] 2 195.98 (0.473) McLean/AB 10.1039/C8SC04396E
LMPK14000003 Cyclosporin A 620.9005 [M+H+K] 2 180.74 (0.386) McLean/AB 10.1039/C8SC04396E
LMPK14000003 Cyclosporin A 620.9005 [M+H+K] 2 186.32 (0.614) McLean/AB 10.1039/C8SC04396E
LMPK14000003 Cyclosporin A 620.9005 [M+H+K] 2 194.4 (0.501) McLean/AB 10.1039/C8SC04396E
LMPK14000003 Cyclosporin A 612.9158 [M+H+Na] 2 191.95 (0.421) McLean/AB 10.1039/C8SC04396E
LMPK14000003 Cyclosporin A 1240.8050 [M+K] 1 350.94 (0.368) McLean/AB 10.1039/C8SC04396E
LMPK14000003 Cyclosporin A 1224.8311 [M+Na] 1 343.74 (0.364) McLean/AB 10.1039/C8SC04396E
LMPR0102010001 Geranyl diphosphate 335.0431 [M-2H+Na] -1 173.81 (0.045) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMPR0102010001 Geranyl diphosphate 313.0602 [M-H] -1 167.16 (0.123) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMPR0102070001 Loganin 413.1424 [M+Na] 1 193.81 (0.174) PNNL/Baker 10.1039/C7SC03464D
LMPR0102070002 Secologanin 411.1267 [M+Na] 1 190.16 (0.209) PNNL/Baker 10.1039/C7SC03464D
LMPR0102070002 Secologanin 387.1291 [M-H] -1 190.64 (0.572) PNNL/Baker 10.1039/C7SC03464D
LMPR0102120001 Camphor 153.1279 [M+H] 1 141.46 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMPR0102120019 Thujone 153.1279 [M+H] 1 140.49 (0.116) PNNL/Baker 10.1039/C7SC03464D
LMPR01090019 Retinoic Acid 323.1973 [M+Na] 1 139.2 (0.403) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMPR02010001 Coenzyme Q10 885.6696 [M+Na] 1 306.57 (0.573) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMPR02020001 alpha-tocopherol 429.3726 [M-H] -1 208.56 (0.265) PNNL/Baker 10.1039/C7SC03464D
LMPR02020001 alpha-tocopherol 431.3883 [M+H] 1 213.33 (0.346) PNNL/Baker 10.1039/C7SC03464D
LMPR02020065 gamma-tocopherol 417.3726 [M+H] 1 210.05 (0) PNNL/Baker 10.1039/C7SC03464D
LMPR02020065 gamma-tocopherol 415.3569 [M-H] -1 207.56 (0.265) PNNL/Baker 10.1039/C7SC03464D
LMSP01020001 Sphinganine 302.3046 [M+H] 1 189.05 (0.307) 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
LMST01020005 16:0 Cholesterol ester 647.5704 [M+Na] 1 286.28 (0.396) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02010033 2-Methoxyestrone 323.1623 [M+Na] 1 199.82 (0.232) PNNL/Baker 10.1039/C7SC03464D
LMST02010033 2-Methoxyestrone 299.1647 [M-H] -1 183.63 (1.686) PNNL/Baker 10.1039/C7SC03464D
LMST02010033 2-Methoxyestrone 301.1804 [M+H] 1 172.83 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMST02020007 Androstenedione 287.2011 [M+H] 1 183.03 (0.727) PNNL/Baker 10.1039/C7SC03464D
LMST02020007 Androstenedione 309.1830 [M+Na] 1 203.71 (1.559) PNNL/Baker 10.1039/C7SC03464D
LMST02030001 Cortisol 363.2166 [M+H] 1 189.31 (0.379) McLean/JCMay 10.1039/C8SC04396E
LMST02030001 Cortisol 385.1990 [M+Na] 1 212.9 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030001 Cortisol 363.2164 [M+H] 1 188.6 (0.189) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030001 Cortisol 361.2043 [M-H] -1 191.9 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030001 Cortisol 401.1736 [M+K] 1 210.7 (0.211) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030001 Cortisol 385.1985 [M+Na] 1 214.02 (0.578) McLean/JCMay 10.1039/C8SC04396E
LMST02030026 Aldosterone 361.2015 [M+H] 1 195.07 (0.266) PNNL/Baker 10.1039/C7SC03464D
LMST02030026 Aldosterone 359.1858 [M-H] -1 187.37 (0.266) PNNL/Baker 10.1039/C7SC03464D
LMST02030026 Aldosterone 383.1834 [M+Na] 1 203.07 (0.101) PNNL/Baker 10.1039/C7SC03464D
LMST02030086 11-deoxycortisol 369.2023 [M+Na] 1 210.98 (0.199) 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
LMST02030088 Pregnenolone 317.2480 [M+H] 1 214.13 (0.99) PNNL/Baker 10.1039/C7SC03464D
LMST02030088 Pregnenolone 339.2300 [M+Na] 1 175.58 (0.99) PNNL/Baker 10.1039/C7SC03464D
LMST02030089 17alpha-Hydroxypregnenolone 333.2430 [M+H] 1 188.66 (1.387) PNNL/Baker 10.1039/C7SC03464D
LMST02030089 17alpha-Hydroxypregnenolone 355.2249 [M+Na] 1 208.52 (1.868) PNNL/Baker 10.1039/C7SC03464D
LMST02030090 Cortisone 361.2008 [M+H] 1 188.32 (0.276) 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
LMST02030090 Cortisone 383.1809 [M+Na] 1 213.16 (0.407) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030093 Cortisol 21-acetate 403.2149 [M-H] -1 196.3 (0.196) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030093 Cortisol 21-acetate 405.2286 [M+H] 1 198.8 (0.199) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030093 Cortisol 21-acetate 443.1849 [M+K] 1 207.2 (0.207) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030093 Cortisol 21-acetate 427.2089 [M+Na] 1 203 (0.203) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030159 Progesterone 315.2324 [M+H] 1 184.98 (0.654) PNNL/Baker 10.1039/C7SC03464D
LMST02030159 Progesterone 337.2143 [M+Na] 1 167.45 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMST02030161 17alpha-hydroxyprogesterone 329.2117 [M-H] -1 186.71 (1.293) PNNL/Baker 10.1039/C7SC03464D
LMST02030161 17alpha-hydroxyprogesterone 331.2273 [M+H] 1 185.81 (0.878) PNNL/Baker 10.1039/C7SC03464D
LMST02030161 17alpha-hydroxyprogesterone 353.2093 [M+Na] 1 208.28 (1.437) PNNL/Baker 10.1039/C7SC03464D
LMST02030167 2,1-Hydroxypregnenolone 355.2249 [M+Na] 1 208.65 (1.957) PNNL/Baker 10.1039/C7SC03464D
LMST02030167 2,1-Hydroxypregnenolone 333.2430 [M+H] 1 188.73 (1.307) PNNL/Baker 10.1039/C7SC03464D
LMST02030186 Corticosterone 385.1789 [M+K] 1 208.41 (0.468) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST02030186 Corticosterone 345.2043 [M-H] -1 186.8 (0.322) 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
LMST02030186 Corticosterone 369.2026 [M+Na] 1 211.83 (0.41) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST04010001 Cholic acid 407.2805 [M-H] -1 203.14 (0.117) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST04010001 Cholic acid 487.2366 [M-H] -1 210.01 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMST04010001 Cholic acid 431.2749 [M+Na] 1 197.52 (0.309) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST04010003 Lithocholic acid 375.2904 [M-H] -1 203.13 (0.283) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST04010003 Lithocholic acid 375.2899 [M-H] -1 199.34 (0.289) PNNL/Baker 10.1039/C7SC03464D
LMST04010032 Chenodeoxycholic Acid 471.2417 [M-H] -1 205.54 (0.253) PNNL/Baker 10.1039/C7SC03464D
LMST04010033 Ursodeoxycholate 391.2854 [M-H] -1 200.88 (0.185) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST04010033 Ursodeoxycholate 415.2815 [M+Na] 1 198.7 (0.115) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST04010033 Ursodeoxycholic Acid 471.2417 [M-H] -1 207.94 (0.901) 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 471.2417 [M-H] -1 208.81 (0.116) PNNL/Baker 10.1039/C7SC03464D
LMST04010040 Deoxycholic acid 391.2853 [M-H] -1 202.32 (0.068) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST04010064 Hyocholic acid 407.2798 [M-H] -1 203.88 (0.265) PNNL/Baker 10.1039/C7SC03464D
LMST04010066 alpha-muricholic acid 407.2798 [M-H] -1 205.3 (0.252) PNNL/Baker 10.1039/C7SC03464D
LMST04010067 beta-muricholic acid 407.2798 [M-H] -1 200.92 (0.493) PNNL/Baker 10.1039/C7SC03464D
LMST04010088 Ursocholic acid 407.2798 [M-H] -1 202.98 (0.624) PNNL/Baker 10.1039/C7SC03464D
LMST05020014 Pregnenolone sulfate 395.1910 [M-H] -1 206.2 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05020015 Sulfolithocholic Acid 455.2467 [M-H] -1 211.14 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMST05030001 Glycocholic Acid 544.2580 [M-H] -1 218.21 (0.058) PNNL/Baker 10.1039/C7SC03464D
LMST05030001 Glycocholic Acid 464.3060 [M-H] -1 202.2 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05030001 Glycocholic Acid 488.2993 [M+Na] 1 202.2 (0.202) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05030001 Glycocholic Acid 504.2694 [M+K] 1 208 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05030001 Glycocholic Acid 466.3162 [M+H] 1 199.7 (0.2) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05030006 Glycodeoxycholic Acid 528.2631 [M-H] -1 217.85 (0.154) PNNL/Baker 10.1039/C7SC03464D
LMST05030008 Glycochenodeoxycholate 448.3102 [M-H] -1 200.7 (0.201) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05030008 Glycochenodeoxycholate 450.3205 [M+H] 1 196.8 (0.197) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05030008 Glycochenodeoxycholate 472.3056 [M+Na] 1 203.6 (0) McLean/MSMLS 10.1021/acs.analchem.8b04322
LMST05030009 Glycolithocholic Acid 512.2682 [M-H] -1 217.81 (0.209) PNNL/Baker 10.1039/C7SC03464D
LMST05040001 Taurocholic Acid 594.2407 [M-H] -1 220.88 (0.503) PNNL/Baker 10.1039/C7SC03464D
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
LMST05040018 Lithocholyltaurine 482.2954 [M-H] -1 206.56 (0.023) 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
- SM(d44:1) 865.7138 [M+Na] 1 310.29 (0.607) McLean 10.1021/ac4038448
- SM(d44:2) 863.6982 [M+Na] 1 308.92 (0.603) McLean 10.1021/ac4038448
- GlcCer(d47:0) 870.7526 [M+Na-2H2O] 1 316.09 (0.428) McLean 10.1021/ac4038448
- GlcCer(d49:0) 898.7839 [M+Na-2H2O] 1 321.22 (0.369) McLean 10.1021/ac4038448
- GlcCer(d49:1) 896.7683 [M+Na-2H2O] 1 320.04 (0.421) McLean 10.1021/ac4038448
- Carbocyclic Thromboxane A2 347.2586 [M-H] -1 200.1 (0.1) PNNL/Baker 10.1039/C7SC03464D
- PG (16:0/16:0)-4-Me 833.6271 [M-H] -1 295.84 (0.901) PNNL/Baker 10.1039/C7SC03464D
- PS(40:3) 864.5730 [M+Na] 1 298.62 (0.459) McLean 10.1021/ac4038448
- PS(40:4) 862.5574 [M+Na] 1 297.55 (0.425) McLean 10.1021/ac4038448
- PS(40:5) 860.5417 [M+Na] 1 296.14 (0.407) McLean 10.1021/ac4038448
- PS(40:6) 858.5261 [M+Na] 1 294.01 (0.368) McLean 10.1021/ac4038448
- GlcCer(d42:4(OH)) 822.6459 [M+H] 1 301.36 (0.439) McLean 10.1021/ac4038448
- GlcCer(d42:3(OH)) 824.6615 [M+H] 1 302.79 (0.455) McLean 10.1021/ac4038448
- GlcCer(d42:2) 810.6823 [M+H] 1 301.62 (0.409) McLean 10.1021/ac4038448
- GlcCer(d42:1) 812.6979 [M+H] 1 302.97 (0.418) McLean 10.1021/ac4038448
- GlcCer(d42:1(OH)) 828.6928 [M+H] 1 307.12 (0.441) McLean 10.1021/ac4038448
- GlcCer(d42:0) 814.7136 [M+H] 1 304.69 (0.386) McLean 10.1021/ac4038448
- GlcCer(d42:0(OH)) 830.7085 [M+H] 1 308.48 (0.473) McLean 10.1021/ac4038448
- GlcCer(d41:1) 798.6823 [M+H] 1 299.47 (0.453) McLean 10.1021/ac4038448
- GlcCer(d40:2) 782.6510 [M+H] 1 296.3 (0.455) McLean 10.1021/ac4038448
- GlcCer(d40:1) 784.6666 [M+H] 1 296.19 (0.429) McLean 10.1021/ac4038448
- SM(d44:3) 861.6825 [M+Na] 1 307.07 (0.65) McLean 10.1021/ac4038448
- SM(d44:2) 841.7162 [M+H] 1 309.95 (0.598) McLean 10.1021/ac4038448
- SM(d44:1) 843.7319 [M+H] 1 312.21 (0.55) McLean 10.1021/ac4038448
- SM(d43:2) 827.7006 [M+H] 1 306.88 (0.651) McLean 10.1021/ac4038448
- SM(d43:1) 829.7162 [M+H] 1 309.34 (0.475) McLean 10.1021/ac4038448
- SM(d42:4) 809.6536 [M+H] 1 300.16 (0.725) McLean 10.1021/ac4038448
- PS(42:5) 888.5730 [M+Na] 1 300.02 (0.569) McLean 10.1021/ac4038448
- PS(42:4) 890.5887 [M+Na] 1 301.22 (0.411) McLean 10.1021/ac4038448
- PS(42:2) 894.6200 [M+Na] 1 304.39 (0.419) McLean 10.1021/ac4038448
- PS(42:1) 896.6356 [M+Na] 1 305.65 (0.412) McLean 10.1021/ac4038448
- PS(40:7) 856.5104 [M+Na] 1 291.94 (0.46) McLean 10.1021/ac4038448
- PE(O-34:2) 724.5257 [M+Na] 1 275.81 (1.19) McLean 10.1021/ac4038448
- PE(O-34:1) 726.5413 [M+Na] 1 277.97 (0.455) McLean 10.1021/ac4038448
- PE(42:9) 836.5206 [M+Na] 1 290.92 (0.368) McLean 10.1021/ac4038448
- PE(42:8) 838.5363 [M+Na] 1 292.71 (0.385) McLean 10.1021/ac4038448
- PE(40:5) 816.5519 [M+Na] 1 291.67 (0.404) McLean 10.1021/ac4038448
- PE(38:6(OH)) 802.4999 [M+Na] 1 283.47 (0.389) McLean 10.1021/ac4038448
- PE(38:1) 796.5832 [M+Na] 1 288.19 (0.438) McLean 10.1021/ac4038448
- PE(37:3) 778.5362 [M+Na] 1 282.36 (0.283) McLean 10.1021/ac4038448
- PE(37:2) 780.5519 [M+Na] 1 284.44 (0.433) McLean 10.1021/ac4038448
- PE(37:1) 782.5675 [M+Na] 1 286.6 (0.388) McLean 10.1021/ac4038448
- PE(36:3) 764.5206 [M+Na] 1 279.76 (0.332) McLean 10.1021/ac4038448
- PE(37:1) 804.5495 [M+2Na-H] 1 289.01 (0.407) McLean 10.1021/ac4038448
- PE(36:4) 784.4869 [M+2Na-H] 1 279.24 (0.337) McLean 10.1021/ac4038448
- PE(36:3) 786.5025 [M+2Na-H] 1 281.63 (0.329) McLean 10.1021/ac4038448
- PE(36:2) 788.5182 [M+2Na-H] 1 283.48 (0.297) McLean 10.1021/ac4038448
- PE(36:1) 790.5338 [M+2Na-H] 1 285.98 (0.456) McLean 10.1021/ac4038448
- PE(35:1) 776.5182 [M+2Na-H] 1 281.78 (0.27) McLean 10.1021/ac4038448
- PE(34:3) 758.4712 [M+2Na-H] 1 273.3 (0.497) McLean 10.1021/ac4038448
- PE(34:2) 760.4869 [M+2Na-H] 1 275.44 (0.368) McLean 10.1021/ac4038448
- PS(44:10) 906.5261 [M+Na] 1 299.23 (0.555) 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
- PS(42:3) 870.6224 [M+H] 1 300.39 (0.427) McLean 10.1021/ac4038448
- PS(42:2) 872.6380 [M+H] 1 301.87 (0.519) McLean 10.1021/ac4038448
- PS(42:1) 874.6537 [M+H] 1 304.25 (0.577) McLean 10.1021/ac4038448
- PS(40:6) 836.5441 [M+H] 1 290 (0.365) McLean 10.1021/ac4038448
- PS(40:5) 838.5598 [M+H] 1 291.89 (0.402) McLean 10.1021/ac4038448
- PS(40:4) 840.5754 [M+H] 1 293.45 (0.436) McLean 10.1021/ac4038448
- PS(40:3) 842.5911 [M+H] 1 294.93 (0.44) McLean 10.1021/ac4038448
- PS(40:2) 844.6067 [M+H] 1 296.34 (0.419) McLean 10.1021/ac4038448
- PS(38:4) 812.5441 [M+H] 1 286.69 (0.347) McLean 10.1021/ac4038448
- PS(38:2) 816.5754 [M+H] 1 290 (0.375) McLean 10.1021/ac4038448
- PS(O-35:2) 804.5131 [M+2Na-H] 1 284.63 (0.699) McLean 10.1021/ac4038448
- 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
- PS(44:5) 938.5863 [M+2Na-H] 1 309.3 (0.825) McLean 10.1021/ac4038448
- PS(42:9) 902.4924 [M+2Na-H] 1 294.94 (0.444) McLean 10.1021/ac4038448
- PS(42:8) 904.5080 [M+2Na-H] 1 297.58 (0.509) McLean 10.1021/ac4038448
- PS(42:7) 906.5237 [M+2Na-H] 1 298.69 (0.512) McLean 10.1021/ac4038448
- 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
- PS(42:2) 916.6019 [M+2Na-H] 1 308.49 (0.57) McLean 10.1021/ac4038448
- PS(41:6) 894.5237 [M+2Na-H] 1 298.52 (0.788) McLean 10.1021/ac4038448
- PS(41:5) 896.5393 [M+2Na-H] 1 300.79 (0.486) McLean 10.1021/ac4038448
- PS(40:9) 874.4611 [M+2Na-H] 1 287.07 (1.34) McLean 10.1021/ac4038448
- PS(40:8) 876.4767 [M+2Na-H] 1 290.25 (0.42) McLean 10.1021/ac4038448
- PS(40:7) 878.4924 [M+2Na-H] 1 292.44 (0.609) McLean 10.1021/ac4038448
- GlcCer(d43:1(OH)) 864.6904 [M+Na] 1 309.05 (0.549) 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
- PS(40:1) 846.6224 [M+H] 1 298.27 (0.401) McLean 10.1021/ac4038448
- PE(O-38:3) 778.5726 [M+Na] 1 285.48 (0.349) McLean 10.1021/ac4038448
- PE(O-36:3) 750.5413 [M+Na] 1 280.12 (0.342) McLean 10.1021/ac4038448
- PE(O-36:2) 752.5570 [M+Na] 1 282.59 (0.495) McLean 10.1021/ac4038448
- PE(O-36:1) 754.5726 [M+Na] 1 283.89 (0.416) McLean 10.1021/ac4038448
- PE(O-34:3) 722.5100 [M+Na] 1 272.99 (0.405) McLean 10.1021/ac4038448
- PE(40:7) 856.5258 [M+K] 1 293.42 (0.459) McLean 10.1021/ac4038448
- PE(38:5) 804.4945 [M+K] 1 285 (0.411) McLean 10.1021/ac4038448
- PE(38:4) 806.5102 [M+K] 1 286.7 (0.348) McLean 10.1021/ac4038448
- PE(36:5) 776.4632 [M+K] 1 276.57 (0.431) McLean 10.1021/ac4038448
- PE(36:4) 778.4789 [M+K] 1 279.43 (0.33) McLean 10.1021/ac4038448
- PE(36:3) 780.4945 [M+K] 1 281.14 (0.372) McLean 10.1021/ac4038448
- PE(O-36:3) 728.5594 [M+H] 1 274.62 (0.452) McLean 10.1021/ac4038448
- PE(O-40:6) 822.5389 [M+2Na-H] 1 290.47 (0.326) McLean 10.1021/ac4038448
- PE(O-40:4) 826.5702 [M+2Na-H] 1 295.84 (0.56) McLean 10.1021/ac4038448
- PE(O-38:6) 794.5076 [M+2Na-H] 1 283.07 (0.399) McLean 10.1021/ac4038448
- PE(O-38:5) 796.5233 [M+2Na-H] 1 284.71 (0.378) McLean 10.1021/ac4038448
- PE(O-38:4) 798.5389 [M+2Na-H] 1 286.93 (0.47) McLean 10.1021/ac4038448
- PE(O-38:3) 800.5546 [M+2Na-H] 1 289.69 (0.381) McLean 10.1021/ac4038448
- PE(O-38:2) 802.5702 [M+2Na-H] 1 291.62 (0.394) McLean 10.1021/ac4038448
- PE(O-36:4) 770.5076 [M+2Na-H] 1 280.33 (0.394) McLean 10.1021/ac4038448
- PE(O-36:3) 772.5233 [M+2Na-H] 1 281.68 (0.321) McLean 10.1021/ac4038448
- PE(O-36:2) 774.5389 [M+2Na-H] 1 283.12 (0.647) McLean 10.1021/ac4038448
- PE(O-36:1) 776.5546 [M+2Na-H] 1 285.47 (0.331) McLean 10.1021/ac4038448
- PE(O-34:3) 744.4920 [M+2Na-H] 1 273.73 (0.48) McLean 10.1021/ac4038448
- PE(O-34:2) 746.5076 [M+2Na-H] 1 275.71 (0.235) McLean 10.1021/ac4038448
- PE(O-34:1) 748.5233 [M+2Na-H] 1 278.4 (0.227) McLean 10.1021/ac4038448
- PE(O-32:1) 720.4920 [M+2Na-H] 1 270.47 (0.314) McLean 10.1021/ac4038448
- PE(40:7) 834.5025 [M+2Na-H] 1 288.33 (0.247) McLean 10.1021/ac4038448
- PE(40:6) 836.5182 [M+2Na-H] 1 290.13 (0.413) McLean 10.1021/ac4038448
- PE(40:5) 838.5338 [M+2Na-H] 1 291.82 (0.437) McLean 10.1021/ac4038448
- PE(39:2) 830.5651 [M+2Na-H] 1 294.15 (0.527) McLean 10.1021/ac4038448
- PE(38:6) 808.4869 [M+2Na-H] 1 283.22 (0.415) McLean 10.1021/ac4038448
- PE(38:5) 810.5025 [M+2Na-H] 1 285.79 (1.231) McLean 10.1021/ac4038448
- PE(38:4) 812.5182 [M+2Na-H] 1 287.21 (0.364) McLean 10.1021/ac4038448
- PE(38:4(OH)) 828.5131 [M+2Na-H] 1 288.47 (0.431) McLean 10.1021/ac4038448
- PE(38:3) 814.5338 [M+2Na-H] 1 288.72 (0.4) McLean 10.1021/ac4038448
- PE(38:2) 816.5495 [M+2Na-H] 1 291.08 (0.46) McLean 10.1021/ac4038448
- PE(37:3) 800.5182 [M+2Na-H] 1 284.35 (0.547) McLean 10.1021/ac4038448
- PE(37:2) 802.5338 [M+2Na-H] 1 287.43 (0.18) McLean 10.1021/ac4038448
- PC(40:6) 856.5832 [M+Na] 1 296.75 (0.305) McLean 10.1021/ac4038448
- PC(40:5) 858.5988 [M+Na] 1 298.11 (0.669) McLean 10.1021/ac4038448
- SM(d42:3) 811.6693 [M+H] 1 301.95 (0.266) McLean 10.1021/ac4038448
- SM(d42:2) 813.6849 [M+H] 1 303.81 (0.424) McLean 10.1021/ac4038448
- SM(d42:1) 815.7006 [M+H] 1 305.57 (0.392) McLean 10.1021/ac4038448
- SM(d42:0) 817.7162 [M+H] 1 307.74 (0.449) McLean 10.1021/ac4038448
- Cer(d42:3) 646.6138 [M+H] 1 277.35 (0.365) McLean 10.1021/ac4038448
- PC(40:4) 860.6145 [M+Na] 1 299.77 (0.532) McLean 10.1021/ac4038448
- PC(38:3) 834.5988 [M+Na] 1 295.38 (0.497) McLean 10.1021/ac4038448
- PC(36:4) 804.5519 [M+Na] 1 287.3 (0.437) McLean 10.1021/ac4038448
- PC(36:4(OH)) 820.5468 [M+Na] 1 289.21 (0.436) McLean 10.1021/ac4038448
- PC(36:3) 806.5675 [M+Na] 1 289.29 (0.564) McLean 10.1021/ac4038448
- PC(36:3(OH)) 822.5625 [M+Na] 1 291.18 (0.562) McLean 10.1021/ac4038448
- PC(36:2) 808.5832 [M+Na] 1 290.91 (0.661) McLean 10.1021/ac4038448
- PC(36:2(OH)) 824.5781 [M+Na] 1 292.57 (0.565) McLean 10.1021/ac4038448
- PC(36:1) 810.5988 [M+Na] 1 292.54 (0.492) McLean 10.1021/ac4038448
- PC(35:2) 794.5675 [M+Na] 1 288.07 (0.639) McLean 10.1021/ac4038448
- PC(35:1) 796.5832 [M+Na] 1 289.41 (0.582) McLean 10.1021/ac4038448
- PC(34:3) 778.5363 [M+Na] 1 284.21 (0.389) McLean 10.1021/ac4038448
- PC(34:2) 780.5519 [M+Na] 1 285.34 (0.637) McLean 10.1021/ac4038448
- PC(34:1) 782.5675 [M+Na] 1 287.08 (0.394) McLean 10.1021/ac4038448
- PC(32:2) 752.5206 [M+Na] 1 279.05 (1.277) McLean 10.1021/ac4038448
- PC(32:1) 754.5362 [M+Na] 1 281.37 (0.38) McLean 10.1021/ac4038448
- PC(32:0) 756.5519 [M+Na] 1 282.78 (0.984) McLean 10.1021/ac4038448
- PC(36:2) 824.5571 [M+K] 1 291.46 (0.429) McLean 10.1021/ac4038448
- PC(36:1) 826.5728 [M+K] 1 293.37 (0.515) McLean 10.1021/ac4038448
- PC(34:2) 796.5258 [M+K] 1 285.52 (0.421) McLean 10.1021/ac4038448
- PC(34:1) 798.5415 [M+K] 1 288.02 (0.405) McLean 10.1021/ac4038448
- PC(36:2) 786.6012 [M+H] 1 288.18 (0.37) McLean 10.1021/ac4038448
- PC(36:1) 788.6169 [M+H] 1 290.5 (0.389) McLean 10.1021/ac4038448
- PC(35:1) 774.6013 [M+H] 1 286.88 (0.418) McLean 10.1021/ac4038448
- PC(34:3) 756.5543 [M+H] 1 279.31 (1.028) McLean 10.1021/ac4038448
- PC(34:2) 758.5699 [M+H] 1 281.72 (0.372) McLean 10.1021/ac4038448
- PC(34:1) 760.5856 [M+H] 1 284.2 (0.381) McLean 10.1021/ac4038448
- PC(32:1) 732.5543 [M+H] 1 278.69 (0.4) McLean 10.1021/ac4038448
- PC(32:0) 734.5699 [M+H] 1 280.6 (0.425) McLean 10.1021/ac4038448
- PC(36:4(OH)) 842.5288 [M+2Na-H] 1 289.91 (0.393) McLean 10.1021/ac4038448
- PC(36:3) 828.5495 [M+2Na-H] 1 290.79 (0.471) McLean 10.1021/ac4038448
- PC(36:3(OH)) 844.5444 [M+2Na-H] 1 292.03 (0.607) McLean 10.1021/ac4038448
- PC(36:2) 830.5651 [M+2Na-H] 1 292.68 (0.543) McLean 10.1021/ac4038448
- PC(36:2(OH)) 846.5601 [M+2Na-H] 1 293.8 (0.459) McLean 10.1021/ac4038448
- PC(36:1) 832.5808 [M+2Na-H] 1 294.33 (0.355) McLean 10.1021/ac4038448
- PC(36:1(OH)) 848.5757 [M+2Na-H] 1 295.76 (0.376) McLean 10.1021/ac4038448
- PC(36:0(OH)) 850.5914 [M+2Na-H] 1 297.03 (0.561) McLean 10.1021/ac4038448
- PC(34:1) 804.5495 [M+2Na-H] 1 286.14 (0.871) McLean 10.1021/ac4038448
- PC(34:0) 806.5651 [M+2Na-H] 1 288.38 (0.539) McLean 10.1021/ac4038448
- SM(d42:2) 835.6669 [M+Na] 1 302.9 (0.539) McLean 10.1021/ac4038448
- SM(d42:1(OH)) 853.6774 [M+Na] 1 310.33 (0.536) McLean 10.1021/ac4038448
- SM(d42:1) 837.6825 [M+Na] 1 304.99 (0.401) McLean 10.1021/ac4038448
- SM(d41:2) 821.6512 [M+Na] 1 298.72 (0.558) McLean 10.1021/ac4038448
- SM(d41:1) 823.6669 [M+Na] 1 301.68 (0.571) McLean 10.1021/ac4038448
- SM(d40:2) 807.6356 [M+Na] 1 294.84 (0.503) McLean 10.1021/ac4038448
- SM(d40:1) 809.6512 [M+Na] 1 298.34 (0.562) McLean 10.1021/ac4038448
- SM(d39:1) 795.6356 [M+Na] 1 296.91 (0.425) McLean 10.1021/ac4038448
- SM(d38:1) 781.6199 [M+Na] 1 294.49 (0.26) McLean 10.1021/ac4038448
- PE(34:1) 762.5025 [M+2Na-H] 1 277.82 (0.485) McLean 10.1021/ac4038448
- SM(d37:1) 767.6043 [M+Na] 1 287.61 (0.56) McLean 10.1021/ac4038448
- GlcCer(d46:2) 884.7343 [M+H-H2O] 1 316.78 (0.573) McLean 10.1021/ac4038448
- GlcCer(d46:1) 886.7499 [M+H-H2O] 1 318.72 (0.478) McLean 10.1021/ac4038448
- GlcCer(d44:2) 820.7030 [M+H-H2O] 1 303.84 (0.409) McLean 10.1021/ac4038448
- GlcCer(d42:2) 792.6717 [M+H-H2O] 1 298.74 (0.409) McLean 10.1021/ac4038448
- GlcCer(d42:1) 794.6873 [M+H-H2O] 1 300.72 (0.445) McLean 10.1021/ac4038448
- GlcCer(d41:1) 780.6717 [M+H-H2O] 1 296.96 (0.51) McLean 10.1021/ac4038448
- GlcCer(d40:2) 764.6404 [M+H-H2O] 1 292.65 (0.439) McLean 10.1021/ac4038448
- GlcCer(d40:1) 766.6560 [M+H-H2O] 1 295.08 (0.425) McLean 10.1021/ac4038448
- GlcCer(d38:1) 738.6247 [M+H-H2O] 1 288.89 (0.475) McLean 10.1021/ac4038448
- GlcCer(d36:1) 710.5934 [M+H-H2O] 1 282.07 (0.431) McLean 10.1021/ac4038448
- GlcCer(d50:4) 882.7550 [M+H-2H2O] 1 316.73 (0.514) McLean 10.1021/ac4038448
- GlcCer(d47:3) 842.7237 [M+H-2H2O] 1 310.09 (0.444) McLean 10.1021/ac4038448
- SM(d41:2) 799.6693 [M+H] 1 301.27 (0.461) McLean 10.1021/ac4038448
- SM(d41:1) 801.6849 [M+H] 1 303.52 (0.338) McLean 10.1021/ac4038448
- GlcCer(d43:2) 846.6799 [M+Na] 1 304.79 (0.455) McLean 10.1021/ac4038448
- GlcCer(d43:2(OH)) 862.6748 [M+Na] 1 308.49 (0.548) McLean 10.1021/ac4038448
- GlcCer(d42:3) 830.6486 [M+Na] 1 299.63 (0.507) McLean 10.1021/ac4038448
- GlcCer(d42:2) 832.6642 [M+Na] 1 301.9 (0.393) McLean 10.1021/ac4038448
- GlcCer(d42:2(OH)) 848.6591 [M+Na] 1 304.26 (0.387) McLean 10.1021/ac4038448
- GlcCer(d42:1) 834.6799 [M+Na] 1 304.14 (0.446) McLean 10.1021/ac4038448
- GlcCer(d42:1(OH)) 850.6748 [M+Na] 1 306.58 (0.422) McLean 10.1021/ac4038448
- GlcCer(d42:0) 836.6955 [M+Na] 1 305.54 (0.449) McLean 10.1021/ac4038448
- GlcCer(d42:0(OH)) 852.6904 [M+Na] 1 307.93 (0.36) McLean 10.1021/ac4038448
- GlcCer(d41:2) 818.6486 [M+Na] 1 298.44 (0.492) McLean 10.1021/ac4038448
- GlcCer(d41:1) 820.6642 [M+Na] 1 299.77 (0.424) McLean 10.1021/ac4038448
- GlcCer(d40:3) 802.6173 [M+Na] 1 292.57 (0.847) McLean 10.1021/ac4038448
- GlcCer(d40:2) 804.6329 [M+Na] 1 294.4 (0.451) McLean 10.1021/ac4038448
- GlcCer(d40:1) 806.6486 [M+Na] 1 298.49 (0.419) McLean 10.1021/ac4038448
- GlcCer(d40:0) 808.6642 [M+Na] 1 300.07 (0.441) McLean 10.1021/ac4038448
- GlcCer(d39:1) 792.6329 [M+Na] 1 294.26 (0.648) McLean 10.1021/ac4038448
- GlcCer(d38:2) 776.6016 [M+Na] 1 289.61 (0.547) McLean 10.1021/ac4038448
- GlcCer(d38:1) 778.6173 [M+Na] 1 292.82 (3.31) McLean 10.1021/ac4038448
- GlcCer(d38:1(OH)) 794.6122 [M+Na] 1 295.37 (0.428) McLean 10.1021/ac4038448
- PS(38:5) 810.5285 [M+H] 1 283.9 (0.423) McLean 10.1021/ac4038448
- GlcCer(d38:0) 780.6329 [M+Na] 1 293.57 (0.431) McLean 10.1021/ac4038448
- GlcCer(d37:1) 764.6016 [M+Na] 1 289.7 (0.419) McLean 10.1021/ac4038448
- GlcCer(d46:5(OH)) 876.6928 [M+H] 1 311.09 (0.46) McLean 10.1021/ac4038448
- GlcCer(d46:4(OH)) 878.7085 [M+H] 1 311.91 (0.499) McLean 10.1021/ac4038448
- GlcCer(d45:0(OH)) 872.7554 [M+H] 1 317.51 (0.521) McLean 10.1021/ac4038448
- GlcCer(d44:2) 838.7136 [M+H] 1 307.52 (0.42) McLean 10.1021/ac4038448
- GlcCer(d44:2(OH)) 854.7085 [M+H] 1 311.46 (0.383) McLean 10.1021/ac4038448
- GlcCer(d44:1) 840.7292 [M+H] 1 308.86 (0.439) McLean 10.1021/ac4038448
- GlcCer(d44:1(OH)) 856.7241 [M+H] 1 313.04 (0.47) McLean 10.1021/ac4038448
- GlcCer(d44:0(OH)) 858.7398 [M+H] 1 314.33 (0.52) McLean 10.1021/ac4038448
- GlcCer(d43:2) 824.6979 [M+H] 1 304.43 (0.425) McLean 10.1021/ac4038448
- PA(35:1) 733.4760 [M+2Na-H] 1 273.99 (0.497) McLean 10.1021/ac4038448
- PA(35:2) 731.4603 [M+2Na-H] 1 272.13 (0.367) McLean 10.1021/ac4038448
- PA(36:1) 747.4916 [M+2Na-H] 1 276.83 (0.435) McLean 10.1021/ac4038448
- PA(36:2) 745.4760 [M+2Na-H] 1 275.26 (0.258) McLean 10.1021/ac4038448
- PA(36:3) 743.4604 [M+2Na-H] 1 273.89 (0.663) McLean 10.1021/ac4038448
- PA(36:4) 741.4447 [M+2Na-H] 1 272.16 (0.561) McLean 10.1021/ac4038448
- PA(36:5) 739.4291 [M+2Na-H] 1 271.43 (0.142) McLean 10.1021/ac4038448
- PA(38:3) 771.4916 [M+2Na-H] 1 282.01 (0.623) McLean 10.1021/ac4038448
- PA(38:4) 769.4760 [M+2Na-H] 1 278.28 (0.581) McLean 10.1021/ac4038448
- PA(40:5) 795.4916 [M+2Na-H] 1 285.31 (1.065) McLean 10.1021/ac4038448
- PA(40:6) 793.4760 [M+2Na-H] 1 282.8 (0.616) McLean 10.1021/ac4038448
- PE(32:1) 734.4712 [M+2Na-H] 1 271.03 (0.623) McLean 10.1021/ac4038448
- 18:1 (d7) Lyso PC 529.3992 [M+H] 1 237.94 (0.289) PNNL/Baker 10.1039/C7SC03464D
- PS(34:1) 806.4924 [M+2Na-H] 1 283.03 (0.675) McLean 10.1021/ac4038448
- PS(36:1) 834.5237 [M+2Na-H] 1 290.23 (0.434) McLean 10.1021/ac4038448
- PS(36:2) 832.5080 [M+2Na-H] 1 288.23 (0.398) McLean 10.1021/ac4038448
- PS(36:4) 828.4767 [M+2Na-H] 1 283.75 (0.411) McLean 10.1021/ac4038448
- PS(37:1) 848.5393 [M+2Na-H] 1 295.79 (0.654) McLean 10.1021/ac4038448
- PS(37:2) 846.5237 [M+2Na-H] 1 291.58 (0.726) McLean 10.1021/ac4038448
- PS(37:4) 842.4924 [M+2Na-H] 1 288.11 (0.984) McLean 10.1021/ac4038448
- PS(38:1) 862.5550 [M+2Na-H] 1 297.71 (0.58) McLean 10.1021/ac4038448
- PS(38:2) 860.5393 [M+2Na-H] 1 294.77 (0.837) McLean 10.1021/ac4038448
- PS(38:4) 856.5080 [M+2Na-H] 1 291.03 (0.519) McLean 10.1021/ac4038448
- PS(38:5) 854.4924 [M+2Na-H] 1 287.94 (0.545) McLean 10.1021/ac4038448
- PS(39:4) 870.5237 [M+2Na-H] 1 294.26 (0.62) McLean 10.1021/ac4038448
- PS(40:1) 890.5863 [M+2Na-H] 1 303.51 (0.591) McLean 10.1021/ac4038448
- PS(40:2) 888.5706 [M+2Na-H] 1 301.81 (0.432) McLean 10.1021/ac4038448
- PS(40:4) 884.5393 [M+2Na-H] 1 300.63 (0.619) McLean 10.1021/ac4038448
- Cer(d36:0) 568.5668 [M+H] 1 263.99 (0.359) McLean 10.1021/ac4038448
- Cer(d38:0) 596.5981 [M+H] 1 269.48 (0.494) McLean 10.1021/ac4038448
- Cer(d40:0(OH)) 640.6244 [M+H] 1 278.55 (0.48) McLean 10.1021/ac4038448
- Cer(d40:0) 624.6294 [M+H] 1 276.2 (0.42) McLean 10.1021/ac4038448
- SM(d38:0) 805.6175 [M+2Na-H] 1 297.01 (0.778) McLean 10.1021/ac4038448
- SM(d41:0) 847.6645 [M+2Na-H] 1 303.5 (0.69) McLean 10.1021/ac4038448
- PE(34:1) 718.5387 [M+H] 1 272.19 (0.352) McLean 10.1021/ac4038448
- PE(34:2) 716.5230 [M+H] 1 270.57 (0.379) McLean 10.1021/ac4038448
- PE(34:3) 714.5074 [M+H] 1 268.03 (0.468) McLean 10.1021/ac4038448
- PE(36:1) 746.5699 [M+H] 1 279.21 (0.376) McLean 10.1021/ac4038448
- PE(36:2) 744.5543 [M+H] 1 277.3 (0.37) McLean 10.1021/ac4038448
- PE(36:3) 742.5387 [M+H] 1 275.5 (0.441) McLean 10.1021/ac4038448
- PE(O-36:1) 732.5907 [M+H] 1 279.27 (0.666) McLean 10.1021/ac4038448
- PE(O-36:2) 730.5750 [M+H] 1 277.15 (0.328) McLean 10.1021/ac4038448
- PS(36:1) 790.5598 [M+H] 1 285.63 (0.443) McLean 10.1021/ac4038448
- PS(36:2) 788.5441 [M+H] 1 283.14 (0.319) McLean 10.1021/ac4038448
- PS(38:1) 818.5911 [M+H] 1 291.92 (0.451) McLean 10.1021/ac4038448
- Cer(d40:2) 620.5981 [M+H] 1 274.42 (0.329) McLean 10.1021/ac4038448
- Cer(d42:0(OH)) 668.6556 [M+H] 1 284.3 (0.389) McLean 10.1021/ac4038448
- Cer(d42:0) 652.6607 [M+H] 1 282.26 (0.429) McLean 10.1021/ac4038448
- Cer(d42:1(OH)) 666.6400 [M+H] 1 280.19 (0.31) McLean 10.1021/ac4038448
- Cer(d42:1) 650.6451 [M+H] 1 279.75 (0.392) McLean 10.1021/ac4038448
- Cer(d42:2) 648.6294 [M+H] 1 278.96 (0.414) McLean 10.1021/ac4038448
- GlcCer(d36:0) 730.6197 [M+H] 1 286.84 (0.383) McLean 10.1021/ac4038448
- GlcCer(d36:1) 728.6040 [M+H] 1 284.66 (0.371) McLean 10.1021/ac4038448
- GlcCer(d36:2) 726.5884 [M+H] 1 283.59 (0.438) McLean 10.1021/ac4038448
- GlcCer(d38:0) 758.6510 [M+H] 1 292.47 (0.472) McLean 10.1021/ac4038448
- GlcCer(d38:1) 756.6353 [M+H] 1 290.43 (0.348) McLean 10.1021/ac4038448
- GlcCer(d38:2) 754.6197 [M+H] 1 290.14 (0.477) McLean 10.1021/ac4038448
- GlcCer(d38:3) 752.6016 [M+H] 1 286.68 (0.292) McLean 10.1021/ac4038448
- GlcCer(d40:0(OH)) 802.6772 [M+H] 1 302.61 (0.45) McLean 10.1021/ac4038448
- GlcCer(d40:0) 786.6823 [M+H] 1 298.58 (0.424) McLean 10.1021/ac4038448
- Cer(d42:1) 614.6240 [M+H-2H2O] 1 276.04 (0.887) McLean 10.1021/ac4038448
- Cer(d42:2) 612.6083 [M+H-2H2O] 1 273.49 (0.41) McLean 10.1021/ac4038448
- Cer(d36:1) 548.5406 [M+H-H2O] 1 259.28 (0.368) McLean 10.1021/ac4038448
- Cer(d38:1) 576.5719 [M+H-H2O] 1 266.02 (0.387) McLean 10.1021/ac4038448
- Cer(d40:1) 604.6032 [M+H-H2O] 1 271.54 (0.462) McLean 10.1021/ac4038448
- Cer(d40:2) 602.5876 [M+H-H2O] 1 269.58 (0.418) McLean 10.1021/ac4038448
- Cer(d41:1) 618.6189 [M+H-H2O] 1 274.31 (0.497) McLean 10.1021/ac4038448
- Cer(d42:1) 632.6345 [M+H-H2O] 1 277.23 (0.469) McLean 10.1021/ac4038448
- Cer(d42:2) 630.6189 [M+H-H2O] 1 275.42 (0.392) McLean 10.1021/ac4038448
- Cer(d42:3) 628.6032 [M+H-H2O] 1 273.59 (0.132) McLean 10.1021/ac4038448
- Cer(d43:2) 644.6345 [M+H-H2O] 1 277.7 (0.447) McLean 10.1021/ac4038448
- SM(d34:1) 703.5754 [M+H] 1 282.27 (0.45) McLean 10.1021/ac4038448
- SM(d36:1) 731.6067 [M+H] 1 288.5 (0.378) McLean 10.1021/ac4038448
- SM(d36:2) 729.5910 [M+H] 1 286.4 (0.569) McLean 10.1021/ac4038448
- SM(d37:1) 745.6223 [M+H] 1 290.95 (0.684) McLean 10.1021/ac4038448
- SM(d38:1) 759.6380 [M+H] 1 294.57 (0.417) McLean 10.1021/ac4038448
- SM(d39:1) 773.6536 [M+H] 1 298.19 (0.537) McLean 10.1021/ac4038448
- SM(d40:0) 789.6849 [M+H] 1 301.98 (0.319) McLean 10.1021/ac4038448
- SM(d40:1) 787.6693 [M+H] 1 300.23 (0.422) McLean 10.1021/ac4038448
- SM(d40:2) 785.6536 [M+H] 1 298 (0.439) McLean 10.1021/ac4038448
- SM(d41:0) 803.7006 [M+H] 1 304.68 (0.209) McLean 10.1021/ac4038448
- Carbocyclic Thromboxane A2 371.2562 [M+Na] 1 201.69 (0.1) PNNL/Baker 10.1039/C7SC03464D
- 18:1 (d7) Lyso PC 551.3811 [M+Na] 1 234.64 (0.265) PNNL/Baker 10.1039/C7SC03464D
- PE(34:1) 756.4945 [M+K] 1 279.76 (0.253) McLean 10.1021/ac4038448
- PE(34:2) 754.4789 [M+K] 1 277 (0.343) McLean 10.1021/ac4038448
- PE(35:2) 768.4945 [M+K] 1 279.56 (0.456) McLean 10.1021/ac4038448
- PE(36:2) 782.5102 [M+K] 1 282.94 (0.332) McLean 10.1021/ac4038448
- PS(36:1) 828.5157 [M+K] 1 289.75 (0.358) McLean 10.1021/ac4038448
- PS(36:2) 826.5000 [M+K] 1 287.48 (0.427) McLean 10.1021/ac4038448
- PS(38:4) 850.5000 [M+K] 1 291.66 (0.328) McLean 10.1021/ac4038448
- PS(38:5) 848.4844 [M+K] 1 288.86 (0.803) McLean 10.1021/ac4038448
- PS(40:4) 878.5313 [M+K] 1 297.77 (0.641) McLean 10.1021/ac4038448
- PS(40:5) 876.5157 [M+K] 1 296.55 (0.479) McLean 10.1021/ac4038448
- PS(40:6) 874.5000 [M+K] 1 295.07 (0.44) McLean 10.1021/ac4038448
- PS(42:9) 896.4844 [M+K] 1 296.9 (0.408) McLean 10.1021/ac4038448
- Cer(d42:0) 674.6427 [M+Na] 1 284.08 (0.508) McLean 10.1021/ac4038448
- SM(d36:1) 735.5780 [M+H-H2O] 1 282.3 (0.666) McLean 10.1021/ac4038448
- SM(d42:2) 817.6563 [M+H-H2O] 1 303.57 (0.514) McLean 10.1021/ac4038448
- SM(d36:1) 769.5626 [M+K] 1 290.66 (0.465) McLean 10.1021/ac4038448
- GlcCer(d34:0) 724.5703 [M+Na] 1 283.14 (0.439) McLean 10.1021/ac4038448
- GlcCer(d34:1) 722.5547 [M+Na] 1 281.15 (0.549) McLean 10.1021/ac4038448
- GlcCer(d36:1(OH)) 766.5809 [M+Na] 1 289.8 (0.472) McLean 10.1021/ac4038448
- GlcCer(d36:1) 750.5860 [M+Na] 1 286.24 (0.424) McLean 10.1021/ac4038448
- GlcCer(d36:2) 748.5703 [M+Na] 1 283.74 (0.35) McLean 10.1021/ac4038448
- GlcCer(d43:3) 844.6642 [M+Na] 1 303.13 (0.466) McLean 10.1021/ac4038448
- GlcCer(d44:1) 862.7112 [M+Na] 1 310.36 (0.438) McLean 10.1021/ac4038448
- GlcCer(d44:2) 860.6955 [M+Na] 1 308.73 (0.451) McLean 10.1021/ac4038448
- GlcCer(d44:3(OH)) 874.6748 [M+Na] 1 309.07 (0.497) McLean 10.1021/ac4038448
- GlcCer(d44:3) 858.6799 [M+Na] 1 306.33 (0.596) McLean 10.1021/ac4038448
- GlcCer(d44:4(OH)) 872.6591 [M+Na] 1 307.19 (0.637) McLean 10.1021/ac4038448
- PA(36:1) 725.5097 [M+Na] 1 275.56 (0.172) McLean 10.1021/ac4038448
- PA(36:2) 723.4940 [M+Na] 1 274.4 (0.39) McLean 10.1021/ac4038448
- PA(36:3) 721.4784 [M+Na] 1 273.11 (0.359) McLean 10.1021/ac4038448
- PA(36:4) 719.4628 [M+Na] 1 270.51 (0.404) McLean 10.1021/ac4038448
- PA(38:2) 751.5253 [M+Na] 1 281.95 (0.471) McLean 10.1021/ac4038448
- PA(38:3) 749.5097 [M+Na] 1 279.62 (0.239) McLean 10.1021/ac4038448
- PA(38:4) 747.4941 [M+Na] 1 278.73 (0.627) McLean 10.1021/ac4038448
- PA(40:5) 773.5097 [M+Na] 1 284.02 (0.465) McLean 10.1021/ac4038448
- PE(32:1) 712.4893 [M+Na] 1 270.74 (0.432) McLean 10.1021/ac4038448
- PE(34:1) 740.5206 [M+Na] 1 278.21 (0.333) McLean 10.1021/ac4038448
- PE(34:2) 738.5049 [M+Na] 1 275.22 (0.276) McLean 10.1021/ac4038448
- PE(34:3) 736.4893 [M+Na] 1 273.88 (0.41) McLean 10.1021/ac4038448
- PE(35:1) 754.5362 [M+Na] 1 281.47 (0.329) McLean 10.1021/ac4038448
- PE(35:2) 752.5206 [M+Na] 1 277.79 (0.317) McLean 10.1021/ac4038448
- PE(36:1) 768.5519 [M+Na] 1 284.44 (0.343) McLean 10.1021/ac4038448
- PE(36:2) 766.5362 [M+Na] 1 282.09 (0.24) McLean 10.1021/ac4038448
- SM(d34:1) 725.5573 [M+Na] 1 280.97 (0.368) McLean 10.1021/ac4038448
- SM(d35:1) 739.5730 [M+Na] 1 282.83 (0.368) McLean 10.1021/ac4038448
- SM(d36:1) 753.5886 [M+Na] 1 288.12 (0.425) McLean 10.1021/ac4038448
- SM(d36:2) 751.5730 [M+Na] 1 282.54 (0.558) McLean 10.1021/ac4038448
- SM(d42:3) 833.6512 [M+Na] 1 299.94 (0.633) McLean 10.1021/ac4038448
- SM(d43:1) 851.6982 [M+Na] 1 306.56 (0.484) McLean 10.1021/ac4038448
- SM(d43:2) 849.6825 [M+Na] 1 306 (0.52) McLean 10.1021/ac4038448