Lipidomic Ion Mobility Database
— Ion Mobility Data from the Unified CCS Compendium

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Lipid name AND Lipid category
* CCS/z: collision cross section (A2) divided by charge (z)    SD: standard deviation
LM_ID Name m/z Species Charge CCS/z (SD)* Data source DOI
LMFA01010001Palmitic Acid533.4552[2M-2H+Na]--1240.1 (0.502)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010001Palmitic acid255.2330[M-H]--1169.12 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01010001Palmitic acid255.2331[M-H]--1169.01 (0.164)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01010001Palmitic acid255.2324[M-H]--1168.36 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA01010001Palmitic Acid255.233[M-H]--1182.7 (1.129)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010001Palmitic Acid255.233[M-H]--1239.8 (0.212)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010001Palmitic Acid255.233[M-H]--1257.42 (1.435)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010001Palmitic Acid255.233[M-H]--1166.02 (0.085)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010001Palmitic Acid337.2361[M-H+CH3COONa]--1187.41 (0.233)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010001Palmitic acid279.2300[M+Na]+1183.46 (0.232)PNNL/Baker10.1039/C7SC03464D
LMFA01010001Palmitic acid279.2309[M+Na]+1173.19 (0.499)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01010012Lauric Acid421.33[2M-2H+Na]--1214.16 (0.028)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010012Lauric acid199.1704[M-H]--1154.82 (0.1)Agilent10.1021/acs.analchem.7b01729
LMFA01010012Lauric acid199.1698[M-H]--1154.23 (0.154)PNNL/Baker10.1039/C7SC03464D
LMFA01010012Lauric Acid199.1704[M-H]--1167.57 (0.781)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010012Lauric Acid281.1735[M-H+CH3COONa]--1172.42 (0.549)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010012Lauric Acid281.1735[M-H+CH3COONa]--1190.61 (0.758)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010014Myristic Acid477.3926[2M-2H+Na]--1225.8 (1.064)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010014Myristic Acid227.2017[M-H]--1158.09 (0.453)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010014Myristic Acid309.2048[M-H+CH3COONa]--1179.08 (0.499)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010014Myristic Acid309.2048[M-H+CH3COONa]--1196.71 (0.761)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010015Pentadecylic acid241.2173[M-H]--1165.34 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01010015Pentadecylic acid241.2167[M-H]--1164.78 (0.174)PNNL/Baker10.1039/C7SC03464D
LMFA01010017Margaric acid269.2486[M-H]--1173.41 (0.1)Agilent10.1021/acs.analchem.7b01729
LMFA01010017Margaric acid269.2483[M-H]--1172.93 (0.106)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01010017Margaric acid269.2480[M-H]--1172.64 (0.116)PNNL/Baker10.1039/C7SC03464D
LMFA01010018Stearic acid283.2643[M-H]--1177.66 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01010018Stearic acid283.2639[M-H]--1177.08 (0.023)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01010018Stearic acid283.2637[M-H]--1177.11 (0.266)PNNL/Baker10.1039/C7SC03464D
LMFA01010018Stearic Acid283.2643[M-H]--1174.29 (0.806)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01010018Stearic acid307.2613[M+Na]+1190 (0.154)PNNL/Baker10.1039/C7SC03464D
LMFA01010020Arachidic acid311.2956[M-H]--1186.17 (0.1)Agilent10.1021/acs.analchem.7b01729
LMFA01010020Arachidic acid311.2953[M-H]--1185.12 (0.214)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01010023Tricosylic acid353.3407[M-H]--1196.88 (0.095)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01010023Tricosylic acid377.3368[M+Na]+1204.8 (0.794)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01010024Lignoceric acid367.3582[M-H]--1201.11 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01010024Lignoceric acid367.3576[M-H]--1199.6 (0.101)PNNL/Baker10.1039/C7SC03464D
LMFA01010024Lignoceric acid391.3552[M+Na]+1214.86 (0)PNNL/Baker10.1039/C7SC03464D
LMFA01030001Arachidonic Acid629.4552[2M-2H+Na]--1254.17 (0.211)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid607.4732[2M-H]--1249.73 (0.806)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic acid303.2324[M-H]--1181.29 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA01030001Arachidonic acid303.2324[M-H]--1185.47 (0.232)PNNL/Baker10.1039/C7SC03464D
LMFA01030001Arachidonic acid303.2330[M-H]--1183.66 (0.174)Agilent10.1021/acs.analchem.7b01729
LMFA01030001Arachidonic Acid303.233[M-H]--1252.75 (0.152)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid303.233[M-H]--1224.27 (0.198)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid303.233[M-H]--1214.21 (0.215)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid303.233[M-H]--1206.35 (0.135)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid303.233[M-H]--1179.14 (0.156)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid303.233[M-H]--1276.22 (0.663)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid303.233[M-H]--1260.33 (0.192)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid385.2361[M-H+CH3COONa]--1209.28 (0.141)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic Acid385.2361[M-H+CH3COONa]--1194.7 (0.172)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030001Arachidonic acid327.2300[M+Na]+1180.07 (0.201)PNNL/Baker10.1039/C7SC03464D
LMFA01030001Arachidonic acid327.2300[M+Na]+1198.9 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA01030002Oleic Acid585.4865[2M-2H+Na]--1250.1 (1.23)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030002Oleic acid281.2469[M-H]--1175.8 (0.411)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030002Oleic acid281.2480[M-H]--1175.22 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA01030002Oleic acid281.2486[M-H]--1176.46 (0.153)Agilent10.1021/acs.analchem.7b01729
LMFA01030002Oleic Acid281.2487[M-H]--1261.12 (1.534)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030002Oleic Acid281.2487[M-H]--1247.53 (1.156)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030002Oleic Acid281.2487[M-H]--1186.57 (0.636)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030002Oleic Acid281.2487[M-H]--1172.52 (0.509)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030002Oleic Acid363.2517[M-H+CH3COONa]--1207.24 (0.697)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030002Oleic Acid363.2517[M-H+CH3COONa]--1192.35 (0.729)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030002Oleic acid305.2456[M+Na]+1179.67 (0.174)PNNL/Baker10.1039/C7SC03464D
LMFA01030055Palmitoleic Acid529.4239[2M-2H+Na]--1235.74 (0.481)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030055Palmitoleic Acid253.2174[M-H]--1253.4 (1.11)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030055Palmitoleic Acid253.2174[M-H]--1164.9 (0.891)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030055Palmitoleic Acid335.2204[M-H+CH3COONa]--1185.68 (1.051)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030056cis-9-palmitoleic acid253.2167[M-H]--1167.06 (0.116)PNNL/Baker10.1039/C7SC03464D
LMFA01030056cis-9-palmitoleic acid253.2173[M-H]--1167.95 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01030056cis-9-palmitoleic acid253.2167[M-H]--1167.33 (0.331)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030056cis-9-palmitoleic acid277.2143[M+Na]+1171 (0.101)PNNL/Baker10.1039/C7SC03464D
LMFA01030066Petroselinic acid281.2483[M-H]--1175.6 (0.066)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA010300739-elaidic acid281.2485[M-H]--1175.96 (0.068)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030085cis-gondoic acid309.2799[M-H]--1184.29 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01030085cis-gondoic acid309.2793[M-H]--1183.08 (0.209)PNNL/Baker10.1039/C7SC03464D
LMFA01030085cis-gondoic acid333.2769[M+Na]+1186.8 (0.116)PNNL/Baker10.1039/C7SC03464D
LMFA01030092Nervonic acid365.3405[M-H]--1197.48 (0.159)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030092Nervonic acid389.3375[M+Na]+1204.38 (0.261)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030120Linoleic Acid581.4552[2M-2H+Na]--1247.71 (0.142)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic acid279.2332[M-H]--1174.66 (0.141)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030120Linoleic acid279.2330[M-H]--1175.69 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01030120Linoleic acid279.2324[M-H]--1174.53 (0.154)PNNL/Baker10.1039/C7SC03464D
LMFA01030120Linoleic Acid279.233[M-H]--1245.26 (0.113)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic Acid279.233[M-H]--1257.82 (0.189)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic Acid279.233[M-H]--1273.77 (0.445)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic Acid279.233[M-H]--1171.78 (0.148)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic Acid279.233[M-H]--1185.72 (0.333)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic Acid361.2361[M-H+CH3COONa]--1190.81 (0.158)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic Acid361.2361[M-H+CH3COONa]--1205.6 (0.068)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030120Linoleic acid303.2282[M+Na]+1177.02 (0.372)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030120Linoleic acid303.2300[M+Na]+1174.72 (0.232)PNNL/Baker10.1039/C7SC03464D
LMFA01030141gamma-Linolenic acid277.2164[M-H]--1174.77 (0.355)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01030152alpha-linolenic acid577.4239[2M-2H+Na]--1244.49 (0.204)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-Linolenic acid277.2167[M-H]--1173.63 (0.101)PNNL/Baker10.1039/C7SC03464D
LMFA01030152alpha-Linolenic acid277.2173[M-H]--1174.88 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01030152alpha-linolenic acid277.2174[M-H]--1242.74 (0.566)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-linolenic acid277.2174[M-H]--1256.45 (0.283)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-linolenic acid277.2174[M-H]--1171.23 (0.178)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-linolenic acid277.2174[M-H]--1178.57 (0.269)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-linolenic acid277.2174[M-H]--1187 (0.826)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-linolenic acid359.2204[M-H+CH3COONa]--1189.3 (0.188)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-linolenic acid359.2204[M-H+CH3COONa]--1204.09 (0.118)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030152alpha-Linolenic acid301.2143[M+Na]+1171.14 (0)PNNL/Baker10.1039/C7SC03464D
LMFA01030158Dihomo-gamma-Linolenic Acid633.4865[2M-2H+Na]--1256.97 (0.168)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030158bishomo-gamma-linolenic acid305.2480[M-H]--1181.69 (0.209)PNNL/Baker10.1039/C7SC03464D
LMFA01030158bishomo-gamma-linolenic acid305.2486[M-H]--1183.02 (0.058)Agilent10.1021/acs.analchem.7b01729
LMFA01030158Dihomo-gamma-Linolenic Acid305.2487[M-H]--1259.23 (2.445)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030158Dihomo-gamma-Linolenic Acid305.2487[M-H]--1178.83 (0.042)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030158Dihomo-gamma-Linolenic Acid305.2487[M-H]--1277.63 (0.595)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030158Dihomo-gamma-Linolenic Acid387.2517[M-H+CH3COONa]--1210.74 (0.122)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030158Dihomo-gamma-Linolenic Acid387.2517[M-H+CH3COONa]--1196.28 (0.109)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030158bishomo-gamma-linolenic acid329.2456[M+Na]+1181.58 (0.419)PNNL/Baker10.1039/C7SC03464D
LMFA01030169Stearidonic Acid573.3926[2M-2H+Na]--1241.37 (0.225)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid275.2017[M-H]--1239.6 (0.208)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid275.2017[M-H]--1254.24 (0.709)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid275.2017[M-H]--1258.74 (3.578)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid275.2017[M-H]--1193.29 (0.021)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid275.2017[M-H]--1187.33 (0.526)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid275.2017[M-H]--1171.79 (0.377)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid357.2048[M-H+CH3COONa]--1202.38 (0.061)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid357.2048[M-H+CH3COONa]--1187.89 (0.144)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030169Stearidonic Acid357.2048[M-H+CH3COONa]--1221.98 (0.863)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030178Adrenic Acid331.2630[M-H]--1189.97 (1.679)PNNL/Baker10.1039/C7SC03464D
LMFA01030178Adrenic Acid333.2787[M+H]+1188.47 (0.201)PNNL/Baker10.1039/C7SC03464D
LMFA01030178Adrenic Acid355.2606[M+Na]+1191.87 (1.159)PNNL/Baker10.1039/C7SC03464D
LMFA01030185Docosahexaenoic Acid677.4552[2M-2H+Na]--1262.31 (1.137)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030185Docosahexaenoic Acid655.4732[2M-H]--1257.46 (0.789)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030185Docosahexaenoic Acid327.2317[M-H]--1190.17 (0.612)PNNL/Baker10.1039/C7SC03464D
LMFA01030185Docosahexaenoic Acid327.233[M-H]--1185.04 (0.247)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030185Docosahexaenoic Acid327.233[M-H]--1224.3 (2.086)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030185Docosahexaenoic Acid327.233[M-H]--1260.97 (1.174)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030185Docosahexaenoic acid329.2474[M+H]+1182.89 (0.307)PNNL/Baker10.1039/C7SC03464D
LMFA01030185Docosahexaenoic Acid409.2361[M-H+CH3COONa]--1213.63 (1.556)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030185Docosahexaenoic Acid409.2361[M-H+CH3COONa]--1199.39 (0.787)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030185Docosahexaenoic acid351.2293[M+Na]+1183.32 (0.406)PNNL/Baker10.1039/C7SC03464D
LMFA01030759Eicosapentaenoic Acid625.4239[2M-2H+Na]--1252 (0.21)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030759Eicosapentaenoic Acid301.2174[M-H]--1259.24 (0.257)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030759Eicosapentaenoic Acid301.2174[M-H]--1274.54 (1.793)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030759Eicosapentaenoic Acid301.2174[M-H]--1250.49 (0.364)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030759Eicosapentaenoic Acid301.2174[M-H]--1199.94 (0.3)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030759Eicosapentaenoic Acid301.2174[M-H]--1179.22 (0.62)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030759Eicosapentaenoic Acid383.2204[M-H+CH3COONa]--1207.86 (0.245)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01030759Eicosapentaenoic Acid383.2204[M-H+CH3COONa]--1193.35 (0.36)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01031043Dihomolinoleic acid307.2643[M-H]--1183.32 (0.001)Agilent10.1021/acs.analchem.7b01729
LMFA01031043Dihomolinoleic acid307.2637[M-H]--1181.49 (0.174)PNNL/Baker10.1039/C7SC03464D
LMFA01031043Dihomolinoleic acid331.2613[M+Na]+1182.32 (0.907)PNNL/Baker10.1039/C7SC03464D
LMFA0105003310-hydroxy capric acid187.1359[M-H]--1144.3 (0.144)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA0105003310-hydroxy capric acid211.1320[M+Na]+1151 (0.151)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01050039Sabinic acid215.1663[M-H]--1152.61 (0.084)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01050039Sabinic acid239.1627[M+Na]+1160.27 (0.252)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA0106007315-oxo-EDE321.2436[M-H]--1193.58 (0.933)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0106007315-oxo-EDE321.2436[M-H]--1262.94 (0.813)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0106007315-oxo-EDE321.2436[M-H]--1182.2 (0.667)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0106007315-oxo-EDE403.2466[M-H+CH3COONa]--1196.3 (0.855)Griffin/CH10.1021/acs.analchem.8b04615
LMFA01170006Sebacic acid223.0948[M-2H+Na]--1145.98 (0.109)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01170006Sebacic acid201.1143[M-H]--1144.03 (0.053)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA01170006Sebacic acid225.1089[M+Na]+1152.75 (0.028)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA0200001613-Oxo-ODE293.2117[M-H]--1179.53 (0.231)PNNL/Baker10.1039/C7SC03464D
LMFA0200001613-Oxo-ODE295.2273[M+H]+1177.48 (0.252)PNNL/Baker10.1039/C7SC03464D
LMFA0200001613-Oxo-ODE317.2093[M+Na]+1191.55 (0.635)PNNL/Baker10.1039/C7SC03464D
LMFA0200003413-HpODE645.4348[2M-2H+Na]--1254.05 (0.247)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003413-HpODE311.2228[M-H]--1255.41 (0.629)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003413-HpODE393.2259[M-H+CH3COONa]--1194.5 (0.961)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003513-HODE613.445[2M-2H+Na]--1252.75 (0.184)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003513-HODE295.2279[M-H]--1252.22 (0.127)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003513-HODE295.2279[M-H]--1190.08 (0.605)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003513-HODE295.2279[M-H]--1261.21 (0.014)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003513-HODE377.231[M-H+CH3COONa]--1195.38 (0.371)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME613.445[2M-2H+Na]--1250.97 (0.401)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME295.2279[M-H]--1187.99 (0.563)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME295.2279[M-H]--1181.97 (0.823)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME295.2279[M-H]--1173.96 (0.231)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME295.2279[M-H]--1249.55 (0.215)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME295.2279[M-H]--1258.3 (0.595)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME377.231[M-H+CH3COONa]--1192.43 (0.263)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020000379(10)-EpOME377.231[M-H+CH3COONa]--1207.16 (0.13)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003812(13)-EpOME613.445[2M-2H+Na]--1249.53 (0.085)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003812(13)-EpOME295.2279[M-H]--1186.76 (0.898)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003812(13)-EpOME295.2279[M-H]--1258.37 (0.552)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003812(13)-EpOME295.2279[M-H]--1174.23 (0.941)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003812(13)-EpOME295.2279[M-H]--1246.96 (0.028)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003812(13)-EpOME377.231[M-H+CH3COONa]--1206.76 (0.58)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0200003812(13)-EpOME377.231[M-H+CH3COONa]--1192.07 (0.831)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020001519-HODE295.2273[M-H]--1179.73 (0.154)PNNL/Baker10.1039/C7SC03464D
LMFA020001519-HODE319.2249[M+Na]+1188.2 (0.855)PNNL/Baker10.1039/C7SC03464D
LMFA02000155alpha-artemisic acid295.2273[M-H]--1182.2 (0.95)PNNL/Baker10.1039/C7SC03464D
LMFA02000155alpha-artemisic acid319.2249[M+Na]+1190.02 (1.315)PNNL/Baker10.1039/C7SC03464D
LMFA020001619(10)-DiHOME649.4661[2M-2H+Na]--1252.73 (0.446)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020001619(10)-DiHOME627.4842[2M-H]--1251.98 (0.841)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020001619(10)-DiHOME313.2385[M-H]--1175.83 (0.191)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020001619(10)-DiHOME313.2385[M-H]--1189.24 (0.686)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020001619(10)-DiHOME313.2385[M-H]--1216.08 (0.502)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020001619(10)-DiHOME313.2385[M-H]--1255.37 (0.666)Griffin/CH10.1021/acs.analchem.8b04615
LMFA020001619(10)-DiHOME395.2416[M-H+CH3COONa]--1194.25 (0.594)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030100016-keto-PGF1alpha369.2277[M-H]--1195.72 (0.1)PNNL/Baker10.1039/C7SC03464D
LMFA030100016-keto-PGF1-alpha369.2283[M-H]--1215.24 (0.12)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030100016-keto-PGF1-alpha369.2283[M-H]--1191.12 (0.056)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030100016-keto-PGF1alpha393.2253[M+Na]+1203.15 (0.493)PNNL/Baker10.1039/C7SC03464D
LMFA03010002PGF2-alpha729.456[2M-2H+Na]--1262.67 (0.134)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010002PGF2-alpha707.474[2M-H]--1261.78 (0.167)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010002PGF2alpha353.2328[M-H]--1193.8 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA03010002PGF2-alpha353.2334[M-H]--1264.92 (0.41)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010002PGF2-alpha353.2334[M-H]--1187.65 (0.13)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010002PGF2-alpha435.2365[M-H+CH3COONa]--1202.07 (0.113)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010002PGF2alpha377.2304[M+Na]+1203.77 (0.1)PNNL/Baker10.1039/C7SC03464D
LMFA03010003PGE2725.4247[2M-2H+Na]--1260.21 (1.777)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010003PGE2703.4427[2M-H]--1258.16 (1.695)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010003PGE2351.2177[M-H]--1193.04 (0.007)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010003PGE2351.2177[M-H]--1185.05 (0.901)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010003PGE2351.2177[M-H]--1261.39 (1.747)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010003PGE2351.2177[M-H]--1221.07 (0.884)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010003PGE2433.2208[M-H+CH3COONa]--1198.44 (0.959)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010004PGD2725.4247[2M-2H+Na]--1262.25 (1.478)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010004PGD2703.4427[2M-H]--1263.85 (1.477)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010004PGD2351.2171[M-H]--1189.12 (0.208)PNNL/Baker10.1039/C7SC03464D
LMFA03010004PGD2351.2177[M-H]--1198.33 (0.311)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010004PGD2351.2177[M-H]--1266.74 (2.135)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010004PGD2351.2177[M-H]--1183.89 (0.59)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010004PGD2433.2208[M-H+CH3COONa]--1198.43 (0.77)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010004PGD2375.2147[M+Na]+1194.79 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA03010009PGG2367.2121[M-H]--1193.33 (0.265)PNNL/Baker10.1039/C7SC03464D
LMFA03010009PGG2391.2096[M+Na]+1197.43 (0.173)PNNL/Baker10.1039/C7SC03464D
LMFA03010010PGH2351.2171[M-H]--1189.88 (0.513)PNNL/Baker10.1039/C7SC03464D
LMFA03010010PGH2375.2147[M+Na]+1200.73 (0.306)PNNL/Baker10.1039/C7SC03464D
LMFA03010019PGJ2689.4035[2M-2H+Na]--1263.89 (0.384)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010019PGJ2667.4216[2M-H]--1259.56 (0.286)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010019PGJ2333.2072[M-H]--1262.89 (0.275)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010019PGJ2333.2072[M-H]--1221.82 (0.191)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03010019PGJ2333.2072[M-H]--1185.06 (0.127)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0301004115R-PGF2alpha353.2328[M-H]--1192.4 (0.115)PNNL/Baker10.1039/C7SC03464D
LMFA0301004115R-PGF2alpha377.2304[M+Na]+1203.74 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA03010087Prostaglandin I2351.2171[M-H]--1191.61 (0.513)PNNL/Baker10.1039/C7SC03464D
LMFA03010087Prostaglandin I2353.2328[M+H]+1199.18 (0.252)PNNL/Baker10.1039/C7SC03464D
LMFA03010087Prostaglandin I2375.2147[M+Na]+1194.82 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA030101768-iso-15(R)-PGF2alpha353.2328[M-H]--1197.41 (0.2)PNNL/Baker10.1039/C7SC03464D
LMFA0301017611B-PGF2a353.2328[M-H]--1193.2 (0.115)PNNL/Baker10.1039/C7SC03464D
LMFA030101768-iso-15(R)-PGF2alpha377.2304[M+Na]+1199.77 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA0301017611B-PGF2a377.2304[M+Na]+1198.32 (0.173)PNNL/Baker10.1039/C7SC03464D
LMFA03020001LTB4693.4348[2M-2H+Na]--1266.43 (0.422)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001LTB4671.4529[2M-H]--1263.49 (0.28)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001Leukotriene B4335.2222[M-H]--1186.51 (0.154)PNNL/Baker10.1039/C7SC03464D
LMFA03020001LTB4335.2228[M-H]--1266.81 (0.23)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001LTB4335.2228[M-H]--1202.52 (0.067)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001LTB4335.2228[M-H]--1222.7 (1.28)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001LTB4335.2228[M-H]--1245 (0.262)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001LTB4335.2228[M-H]--1194.61 (0.417)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001LTB4335.2228[M-H]--1182.81 (0.05)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001LTB4417.2259[M-H+CH3COONa]--1203.22 (0.113)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020001Leukotriene B4359.2198[M+Na]+1194.21 (0.302)PNNL/Baker10.1039/C7SC03464D
LMFA03020002Leukotriene E4438.2314[M-H]--1212.83 (0.4)PNNL/Baker10.1039/C7SC03464D
LMFA03020002Leukotriene E4440.2471[M+H]+1225.76 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA03020002Leukotriene E4462.2290[M+Na]+1211.36 (0.1)PNNL/Baker10.1039/C7SC03464D
LMFA03020003Leukotriene C4624.2955[M-H]--1244.81 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA03020003Leukotriene C4626.3111[M+H]+1254.85 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA03020003Leukotriene C4648.2931[M+Na]+1258.12 (0.404)PNNL/Baker10.1039/C7SC03464D
LMFA03020006Leukotriene D4495.2529[M-H]--1225.11 (0.208)PNNL/Baker10.1039/C7SC03464D
LMFA03020006LTD4495.2535[M-H]--1221.02 (0.17)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03020006Leukotriene D4497.2685[M+H]+1232 (0.1)PNNL/Baker10.1039/C7SC03464D
LMFA03020006Leukotriene D4519.2505[M+Na]+1236.46 (0.2)PNNL/Baker10.1039/C7SC03464D
LMFA0302002412-oxo-LTB4333.2072[M-H]--1182.44 (0.948)Griffin/CH10.1021/acs.analchem.8b04615
LMFA03030010Thromboxane B2369.2277[M-H]--1193.47 (0.101)PNNL/Baker10.1039/C7SC03464D
LMFA03030010Thromboxane B2393.2253[M+Na]+1200.18 (0)PNNL/Baker10.1039/C7SC03464D
LMFA03030016Thromboxane B3367.2121[M-H]--1190.18 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA03030016Thromboxane B3391.2096[M+Na]+1195.48 (0.473)PNNL/Baker10.1039/C7SC03464D
LMFA03040001Lipoxin A4351.2171[M-H]--1193.03 (1.293)PNNL/Baker10.1039/C7SC03464D
LMFA03040001Lipoxin A4375.2147[M+Na]+1196.03 (0.253)PNNL/Baker10.1039/C7SC03464D
LMFA030500045,6-DHET697.4661[2M-2H+Na]--1266.46 (0.12)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500045,6-DHET675.4842[2M-H]--1261.37 (0.049)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500045,6-DHET337.2385[M-H]--1181.79 (0.067)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500045,6-DHET337.2385[M-H]--1222.04 (0.042)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500045,6-DHET337.2385[M-H]--1264.61 (0.049)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500045,6-DHET419.2416[M-H+CH3COONa]--1215.77 (1.301)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500045,6-DHET419.2416[M-H+CH3COONa]--1201.03 (0.199)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500068,9-DHET697.4661[2M-2H+Na]--1263.8 (0.368)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500068,9-DHET675.4842[2M-H]--1260.66 (0.042)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500068,9-DHET337.2385[M-H]--1263.94 (0.268)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500068,9-DHET337.2385[M-H]--1221.54 (0.233)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500068,9-DHET337.2385[M-H]--1182.41 (0.102)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030500068,9-DHET419.2416[M-H+CH3COONa]--1200.34 (0.176)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000715-HETrE665.4763[2M-2H+Na]--1262.29 (0.53)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000715-HETrE321.2436[M-H]--1183.87 (0.162)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000715-HETrE321.2436[M-H]--1262.55 (0.177)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000715-HETrE321.2436[M-H]--1222.1 (0.361)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000715-HETrE321.2436[M-H]--1196.35 (0.304)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000715-HETrE403.2466[M-H+CH3COONa]--1200.87 (0.187)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000811(12)-DHET697.4661[2M-2H+Na]--1262.23 (0.417)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000811(12)-DHET675.4842[2M-H]--1260.45 (0.184)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000811(12)-DHET337.2385[M-H]--1264.09 (0.396)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000811(12)-DHET337.2385[M-H]--1221.58 (0.41)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000811(12)-DHET337.2385[M-H]--1181.89 (0.275)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000811(12)-DHET419.2416[M-H+CH3COONa]--1215.88 (1.287)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0305000811(12)-DHET419.2416[M-H+CH3COONa]--1200.53 (0.501)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE661.445[2M-2H+Na]--1260.65 (0.45)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE639.4631[2M-H]--1256.57 (0.444)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE319.2279[M-H]--1198.04 (2.531)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE319.2279[M-H]--1204.93 (0.28)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE319.2279[M-H]--1220.42 (0.745)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE319.2279[M-H]--1260.18 (0.463)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE319.2279[M-H]--1183.12 (0.296)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000115-HETE401.231[M-H+CH3COONa]--1199.98 (0.318)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025-HETE661.445[2M-2H+Na]--1261.36 (0.426)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025-HETE639.4631[2M-H]--1257.37 (0.474)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025(S)-HETE319.2235[M-H]--1186.27 (0.101)PNNL/Baker10.1039/C7SC03464D
LMFA030600025-HETE319.2279[M-H]--1260.75 (0.43)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025-HETE319.2279[M-H]--1182.26 (0.049)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025-HETE319.2279[M-H]--1202.4 (1.021)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025-HETE319.2279[M-H]--1222.08 (0.361)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025-HETE401.231[M-H+CH3COONa]--1214.53 (0.226)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025-HETE401.231[M-H+CH3COONa]--1201.66 (0.231)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600025(S)-HETE343.2211[M+Na]+1186.44 (0.894)PNNL/Baker10.1039/C7SC03464D
LMFA0306000311-HETE661.445[2M-2H+Na]--1258.56 (0.076)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000311-HETE639.4631[2M-H]--1257.52 (0.076)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000311-HETE319.2279[M-H]--1181.06 (0.092)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000311-HETE319.2279[M-H]--1260.88 (0.081)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000311-HETE401.231[M-H+CH3COONa]--1197.31 (0.064)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE661.445[2M-2H+Na]--1258.38 (0.542)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE639.4631[2M-H]--1256.09 (0.585)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068(S)-HETE319.2235[M-H]--1184.14 (0.252)PNNL/Baker10.1039/C7SC03464D
LMFA030600068-HETE319.2279[M-H]--1219.41 (0.247)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE319.2279[M-H]--1259.14 (0.354)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE319.2279[M-H]--1244.65 (2.956)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE319.2279[M-H]--1180.67 (0.134)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE319.2279[M-H]--1191.6 (0.226)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE319.2279[M-H]--1206.28 (0.315)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068-HETE401.231[M-H+CH3COONa]--1197.51 (0.197)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600068(S)-HETE343.2211[M+Na]+1186.23 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA0306000712-HETE661.445[2M-2H+Na]--1259.74 (0.309)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712-HETE639.4631[2M-H]--1257.45 (0.364)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712(S)-HETE319.2235[M-H]--1183.9 (1.056)PNNL/Baker10.1039/C7SC03464D
LMFA0306000712-HETE319.2279[M-H]--1260.93 (0.342)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712-HETE319.2279[M-H]--1178.86 (0.236)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712-HETE319.2279[M-H]--1193.65 (0.601)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712-HETE319.2279[M-H]--1220.24 (0.559)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712-HETE319.2279[M-H]--1241.99 (1.556)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712-HETE401.231[M-H+CH3COONa]--1198.88 (0.271)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306000712(S)-HETE343.2211[M+Na]+1191.52 (0.823)PNNL/Baker10.1039/C7SC03464D
LMFA0306000812(R)-HETE319.2235[M-H]--1183.18 (0.173)PNNL/Baker10.1039/C7SC03464D
LMFA0306000812(R)-HETE343.2211[M+Na]+1192.57 (0)PNNL/Baker10.1039/C7SC03464D
LMFA0306001915-oxo-ETE317.2123[M-H]--1180.99 (0.162)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0306001915-oxo-ETE399.2153[M-H+CH3COONa]--1194.7 (0.382)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE661.445[2M-2H+Na]--1258.29 (0.113)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE639.4631[2M-H]--1256.25 (0.142)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE319.2279[M-H]--1259.62 (0.142)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE319.2279[M-H]--1218.54 (0.148)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE319.2279[M-H]--1198.46 (0.12)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE319.2279[M-H]--1191.46 (0.134)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE319.2279[M-H]--1178.17 (0.099)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030600269-HETE401.231[M-H+CH3COONa]--1196.49 (0.191)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030700028-HEPE657.4137[2M-2H+Na]--1256.53 (0.53)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030700028-HEPE635.4318[2M-H]--1255.02 (0.598)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030700028-HEPE317.2123[M-H]--1181.92 (0.29)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030700028-HEPE317.2123[M-H]--1203.15 (0.327)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030700028-HEPE317.2123[M-H]--1257.98 (0.325)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0307000712-HEPE399.2153[M-H+CH3COONa]--1198.09 (0.622)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800025(6)-EET661.445[2M-2H+Na]--1259.12 (0.337)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800025(6)-EET319.2279[M-H]--1257.12 (0.482)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800025(6)-EET319.2279[M-H]--1261.84 (0.424)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800025(6)-EET319.2279[M-H]--1180.95 (0.3)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800025(6)-EET401.231[M-H+CH3COONa]--1197.13 (0.234)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800025(6)-EET401.231[M-H+CH3COONa]--1211.62 (0.87)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800038(9)-EET661.445[2M-2H+Na]--1258.25 (0.475)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800038(9)-EET319.2235[M-H]--1183.71 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA030800038(9)-EET319.2279[M-H]--1191.31 (1.167)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800038(9)-EET319.2279[M-H]--1179.39 (0.485)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800038(9)-EET319.2279[M-H]--1257.67 (0.699)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800038(9)-EET401.231[M-H+CH3COONa]--1211.19 (0.197)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800038(9)-EET401.231[M-H+CH3COONa]--1196.9 (0.76)Griffin/CH10.1021/acs.analchem.8b04615
LMFA030800038(9)-EET343.2211[M+Na]+1185.9 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA0308000514,15-Epoxyeicosatrienoic acid319.2235[M-H]--1186.67 (0.173)PNNL/Baker10.1039/C7SC03464D
LMFA0308000514,15-Epoxyeicosatrienoic acid321.2391[M+H]+1185.31 (0.416)PNNL/Baker10.1039/C7SC03464D
LMFA0308000514,15-Epoxyeicosatrienoic acid343.2211[M+Na]+1180.72 (0.231)PNNL/Baker10.1039/C7SC03464D
LMFA0309001011(12)-EET661.445[2M-2H+Na]--1257.92 (0.456)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0309001011(12)-EET319.2279[M-H]--1257.49 (0.529)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0309001011(12)-EET319.2279[M-H]--1179.75 (0.158)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0309001011(12)-EET319.2279[M-H]--1217.1 (0.756)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0309001011(12)-EET319.2279[M-H]--1192.1 (1.546)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0309001011(12)-EET401.231[M-H+CH3COONa]--1197.46 (0.225)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0309001011(12)-EET401.231[M-H+CH3COONa]--1210.61 (0.515)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0309001111,12-Epoxyeicosatrienoic acid319.2235[M-H]--1184.08 (0.361)PNNL/Baker10.1039/C7SC03464D
LMFA0309001111,12-Epoxyeicosatrienoic acid343.2211[M+Na]+1186.1 (0.208)PNNL/Baker10.1039/C7SC03464D
LMFA031100018-iso-PGF2-alpha729.456[2M-2H+Na]--1265.32 (0.233)Griffin/CH10.1021/acs.analchem.8b04615
LMFA031100018-iso-PGF2-alpha707.474[2M-H]--1263.08 (0.156)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0311000115-F2t-IsoP353.2328[M-H]--1196.27 (0.174)PNNL/Baker10.1039/C7SC03464D
LMFA031100018-iso-PGF2-alpha353.2334[M-H]--1266.34 (0.078)Griffin/CH10.1021/acs.analchem.8b04615
LMFA031100018-iso-PGF2-alpha353.2334[M-H]--1252.54 (1.386)Griffin/CH10.1021/acs.analchem.8b04615
LMFA031100018-iso-PGF2-alpha353.2334[M-H]--1191.54 (0.042)Griffin/CH10.1021/acs.analchem.8b04615
LMFA031100018-iso-PGF2-alpha353.2334[M-H]--1224.15 (0.884)Griffin/CH10.1021/acs.analchem.8b04615
LMFA031100018-iso-PGF2-alpha435.2365[M-H+CH3COONa]--1202.75 (0.021)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0311000115-F2t-IsoP377.2304[M+Na]+1198.04 (0.116)PNNL/Baker10.1039/C7SC03464D
LMFA031100125-iPF2alpha-VI353.2328[M-H]--1194 (0.416)PNNL/Baker10.1039/C7SC03464D
LMFA031100125-iPF2alpha-VI377.2304[M+Na]+1203.6 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA0400001217(S)-HDHA343.2273[M-H]--1193.87 (0.302)PNNL/Baker10.1039/C7SC03464D
LMFA0400001217-HDoHE343.2279[M-H]--1187.4 (0.747)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0400001217-HDoHE425.231[M-H+CH3COONa]--1203.15 (0.212)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0400001217(S)-HDHA367.2249[M+Na]+1189.73 (0.697)PNNL/Baker10.1039/C7SC03464D
LMFA040000257-HDoHE343.2279[M-H]--1185.95 (0.598)Griffin/CH10.1021/acs.analchem.8b04615
LMFA040000257-HDoHE343.2279[M-H]--1206.8 (0.092)Griffin/CH10.1021/acs.analchem.8b04615
LMFA040000257-HDoHE343.2279[M-H]--1266.2 (0.092)Griffin/CH10.1021/acs.analchem.8b04615
LMFA040000257-HDoHE425.231[M-H+CH3COONa]--1199.78 (1.036)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0400002913-HDoHE343.2279[M-H]--1187.4 (0.747)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0400002913-HDoHE425.231[M-H+CH3COONa]--1203.15 (0.212)Griffin/CH10.1021/acs.analchem.8b04615
LMFA0400005814(S)-HDHA343.2273[M-H]--1189.29 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA0400005814(S)-HDHA367.2249[M+Na]+1188.28 (0.115)PNNL/Baker10.1039/C7SC03464D
LMFA04030001Resolvin D2375.2171[M-H]--1139.2 (0.1)PNNL/Baker10.1039/C7SC03464D
LMFA04030001Resolvin D2399.2147[M+Na]+1198.72 (0.141)PNNL/Baker10.1039/C7SC03464D
LMFA04030011Resolvin D1375.2171[M-H]--1139.2 (0.115)PNNL/Baker10.1039/C7SC03464D
LMFA04030011Resolvin D1399.2147[M+Na]+1196.01 (0.231)PNNL/Baker10.1039/C7SC03464D
LMFA040500017(R)-Maresin-1359.2222[M-H]--1192.57 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA040500017(R)-Maresin-1383.2198[M+Na]+1193.53 (0.3)PNNL/Baker10.1039/C7SC03464D
LMFA040500037(S)-Maresin-1359.2222[M-H]--1192.54 (0.2)PNNL/Baker10.1039/C7SC03464D
LMFA040500037(S)-Maresin-1383.2198[M+Na]+1194.96 (0.058)PNNL/Baker10.1039/C7SC03464D
LMFA07010468ethyl tetradecanoate745.6284[M+Na]+1291.36 (0.142)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA070400034-Hydroxy-4-methyltetrahydro-2H-pyran-2-one153.0528[M+Na]+1142.32 (0.785)PNNL/Baker10.1039/C7SC03464D
LMFA070502323-methylbut-2-enoyl-CoA870.1328[M-2H+Na]--1266.9 (0.267)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA070502323-methylbut-2-enoyl-CoA848.1509[M-H]--1256.7 (0.257)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA070502323-methylbut-2-enoyl-CoA850.1649[M+H]+1179.3 (0.154)PNNL/Baker10.1039/C7SC03464D
LMFA070502323-methylbut-2-enoyl-CoA850.1612[M+H]+1256.1 (0.256)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07050345Malonyl-CoA852.1078[M-H]--1251.79 (0.174)PNNL/Baker10.1039/C7SC03464D
LMFA07070004Palmitoylcarnitine400.3427[M+H]+1228.2 (0.173)PNNL/Baker10.1039/C7SC03464D
LMFA07070004Palmitoylcarnitine400.3385[M+H]+1213.9 (0.214)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07070004Palmitoylcarnitine422.3201[M+Na]+1219.7 (0.439)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07070004Palmitoylcarnitine422.3246[M+Na]+1214.07 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA07070060DL-Acetylcarnitine204.1222[M+H]+1143.5 (0.144)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07070062Dodecanoylcarnitine344.2801[M+H]+1199.57 (0.252)PNNL/Baker10.1039/C7SC03464D
LMFA07070062Dodecanoylcarnitine344.2782[M+H]+1199 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07070062Dodecanoylcarnitine366.2599[M+Na]+1209.4 (0.209)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07070062Dodecanoylcarnitine366.2620[M+Na]+1215.46 (0.361)PNNL/Baker10.1039/C7SC03464D
LMFA07070063Elaidic carnitine426.3583[M+H]+1226.45 (0.153)PNNL/Baker10.1039/C7SC03464D
LMFA07070063Elaidic carnitine448.3403[M+Na]+1216.68 (0.1)PNNL/Baker10.1039/C7SC03464D
LMFA07070066Glutarylcarnitine274.1299[M-H]--1165.3 (0.165)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07070066Glutarylcarnitine276.1415[M+H]+1161.1 (0.161)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA07070066Glutarylcarnitine298.1242[M+Na]+1167.1 (0.167)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA08010006lipoamide228.0482[M+Na]+1150.4 (0.15)McLean/MSMLS10.1021/acs.analchem.8b04322
LMFA12000118Heptan-4-one341.1825[M+H]2+2120.99 (2.667)McLean/AB10.1039/C8SC04396E
LMGL01010005Oleoyl-glycerol357.2985[M+H]+1202.78 (0.3)McLean/MSMLS10.1021/acs.analchem.8b04322
LMGL01010005Oleoyl-glycerol379.2805[M+Na]+1197.27 (0.481)McLean/MSMLS10.1021/acs.analchem.8b04322
LMGL02010009Dipalmitoylglycerol607.4658[M+K]+1254.95 (0.17)McLean/MSMLS10.1021/acs.analchem.8b04322
LMGL02010009Dipalmitoylglycerol591.4938[M+Na]+1252.13 (0.089)McLean/MSMLS10.1021/acs.analchem.8b04322
LMGP01010006PC(18:0/18:0)848.6380[M+CH3COO-]--1299.21 (2.124)McLean10.1021/acs.analchem.6b01728
LMGP01010006PC(18:0/18:0)790.6325[M+H]+1297.62 (0.387)McLean10.1021/acs.analchem.6b01728
LMGP01010006PC(18:0/18:0)812.6145[M+Na]+1298.63 (1.583)McLean10.1021/acs.analchem.6b01728
LMGP01010380PC(10:0/10:0)624.3876[M+CH3COO-]--1256.36 (0.231)McLean10.1021/acs.analchem.6b01728
LMGP01010380PC(10:0/10:0)566.3822[M+H]+1247.53 (0.941)McLean10.1021/acs.analchem.6b01728
LMGP01010380PC(10:0/10:0)566.3809[M+H]+1247.3 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMGP01010380PC(10:0/10:0)588.3641[M+Na]+1252.25 (1.135)McLean10.1021/acs.analchem.6b01728
LMGP01010380PC(10:0/10:0)588.3616[M+Na]+1252.3 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMGP01010407PC(11:0/11:0)616.3954[M+Na]+1258.14 (0.241)PNNL/Baker10.1039/C7SC03464D
LMGP01010429PC(12:0/12:0)680.4502[M+CH3COO-]--1267.12 (0.881)McLean10.1021/acs.analchem.6b01728
LMGP01010429PC(12:0/12:0)622.4448[M+H]+1260.59 (1.068)McLean10.1021/acs.analchem.6b01728
LMGP01010429PC(12:0/12:0)644.4267[M+Na]+1263.74 (1.108)McLean10.1021/acs.analchem.6b01728
LMGP01010477PC(14:0/14:0)736.5128[M+CH3COO-]--1278.55 (1.95)McLean10.1021/acs.analchem.6b01728
LMGP01010477PC(14:0/14:0)312.0848[M+H]+1126.47 (0.569)PNNL/Baker10.1039/C7SC03464D
LMGP01010477PC(14:0/14:0)678.5074[M+H]+1272.46 (1.553)McLean10.1021/acs.analchem.6b01728
LMGP01010477PC(14:0/14:0)700.4893[M+Na]+1274.48 (1.263)McLean10.1021/acs.analchem.6b01728
LMGP01010477PC(14:0/14:0)334.0668[M+Na]+1128.74 (0.557)PNNL/Baker10.1039/C7SC03464D
LMGP01010564PC(16:0/16:0)792.5754[M+CH3COO-]--1289.46 (0.318)McLean10.1021/acs.analchem.6b01728
LMGP01010564PC(16:0/16:0)734.5699[M+H]+1284.6 (1.651)McLean10.1021/acs.analchem.6b01728
LMGP01010564PC(16:0/16:0)756.5519[M+Na]+1286.2 (1.86)McLean10.1021/acs.analchem.6b01728
LMGP01010612PC(16:0/2:0)538.3509[M+H]+1234.05 (1.002)PNNL/Baker10.1039/C7SC03464D
LMGP01010612PC(16:0/2:0)560.3328[M+Na]+1239.83 (1.323)PNNL/Baker10.1039/C7SC03464D
LMGP01010684PC(16:1(9Z)/16:1(9Z))730.5387[M+H]+1277.53 (0.154)PNNL/Baker10.1039/C7SC03464D
LMGP01010684PC(16:1(9Z)/16:1(9Z))752.5206[M+Na]+1280.45 (0.438)PNNL/Baker10.1039/C7SC03464D
LMGP01010768PC(18:0/18:2(9Z,12Z))524.3716[M+H]+1241.44 (0.115)PNNL/Baker10.1039/C7SC03464D
LMGP01010768PC(18:0/18:2(9Z,12Z))546.3535[M+Na]+1239.99 (0.058)PNNL/Baker10.1039/C7SC03464D
LMGP01010884PC(18:1(9Z)/16:0)760.5856[M+H]+1287.03 (0.704)PNNL/Baker10.1039/C7SC03464D
LMGP01010884PC(18:1(9Z)/16:0)782.5675[M+Na]+1291.18 (1.365)PNNL/Baker10.1039/C7SC03464D
LMGP01010890PC(18:1(9Z)/18:1(9Z))786.6012[M+H]+1292.41 (1.219)PNNL/Baker10.1039/C7SC03464D
LMGP01010890PC(18:1(9Z)/18:1(9Z))808.5832[M+Na]+1295.96 (1.387)PNNL/Baker10.1039/C7SC03464D
LMGP01011014PC(20:0/20:0)904.7006[M+CH3COO-]--1310.29 (2.855)McLean10.1021/acs.analchem.6b01728
LMGP01011014PC(20:0/20:0)846.6951[M+H]+1307.97 (2.741)McLean10.1021/acs.analchem.6b01728
LMGP01011014PC(20:0/20:0)868.6771[M+Na]+1310.72 (2.175)McLean10.1021/acs.analchem.6b01728
LMGP01011099PC(22:0/22:0)960.7632[M+CH3COO-]--1320.48 (1.218)McLean10.1021/acs.analchem.6b01728
LMGP01011099PC(22:0/22:0)902.7577[M+H]+1318.74 (5.705)McLean10.1021/acs.analchem.6b01728
LMGP01011099PC(22:0/22:0)924.7397[M+Na]+1323.9 (0.777)McLean10.1021/acs.analchem.6b01728
LMGP01011159PC(24:0/24:0)1016.8258[M+CH3COO-]--1335 (2.01)McLean10.1021/acs.analchem.6b01728
LMGP01011159PC(24:0/24:0)958.8203[M+H]+1331.76 (4.147)McLean10.1021/acs.analchem.6b01728
LMGP01011159PC(24:0/24:0)980.8023[M+Na]+1330.66 (4.695)McLean10.1021/acs.analchem.6b01728
LMGP01011229PC(6:0/6:0)512.2624[M+CH3COO-]--1233.76 (1.566)McLean10.1021/acs.analchem.6b01728
LMGP01011229PC(6:0/6:0)454.2570[M+H]+1215.36 (0.625)McLean10.1021/acs.analchem.6b01728
LMGP01011229PC(6:0/6:0)476.2389[M+Na]+1220.63 (0.794)McLean10.1021/acs.analchem.6b01728
LMGP01011251PC(8:0/8:0)568.3250[M+CH3COO-]--1245.4 (2.16)McLean10.1021/acs.analchem.6b01728
LMGP01011251PC(8:0/8:0)510.3196[M+H]+1232.52 (1.116)McLean10.1021/acs.analchem.6b01728
LMGP01011251PC(8:0/8:0)532.3015[M+Na]+1237.96 (1.095)McLean10.1021/acs.analchem.6b01728
LMGP01020046PC(O-16:0/2:0)522.3559[M-H]--1230.45 (0.3)PNNL/Baker10.1039/C7SC03464D
LMGP01020046PC(O-16:0/2:0)524.3716[M+H]+1240.09 (1.212)PNNL/Baker10.1039/C7SC03464D
LMGP01020046PC(O-16:0/2:0)524.3716[M+H]+1239 (1.06)PNNL/Baker10.1039/C7SC03464D
LMGP01020046PC(O-16:0/2:0)546.3535[M+Na]+1238.54 (0.404)PNNL/Baker10.1039/C7SC03464D
LMGP01020046PC(O-16:0/2:0)546.3535[M+Na]+1243.29 (1.803)PNNL/Baker10.1039/C7SC03464D
LMGP01020078PC(O-17:0/2:0)538.3872[M+H]+1243.46 (0.115)PNNL/Baker10.1039/C7SC03464D
LMGP01020078PC(O-17:0/2:0)560.3692[M+Na]+1249.4 (0.153)PNNL/Baker10.1039/C7SC03464D
LMGP01020094PC(O-18:0/2:0)552.4029[M+H]+1252.61 (0.361)PNNL/Baker10.1039/C7SC03464D
LMGP01020094PC(O-18:0/2:0)574.3848[M+Na]+1246.76 (0.2)PNNL/Baker10.1039/C7SC03464D
LMGP01050012PC(14:0/0:0)468.3090[M+H]+1220.11 (0.2)PNNL/Baker10.1039/C7SC03464D
LMGP01050012PC(14:0/0:0)490.2909[M+Na]+1223.65 (0.252)PNNL/Baker10.1039/C7SC03464D
LMGP01050018PC(16:0/0:0)496.3403[M+H]+1233.55 (0.404)PNNL/Baker10.1039/C7SC03464D
LMGP01050018PC(16:0/0:0)518.3222[M+Na]+1230.65 (0.351)PNNL/Baker10.1039/C7SC03464D
LMGP01050026PC(18:0/0:0)524.3716[M+H]+1240.78 (0.321)PNNL/Baker10.1039/C7SC03464D
LMGP01050026PC(18:0/0:0)546.3535[M+Na]+1238.08 (0.289)PNNL/Baker10.1039/C7SC03464D
LMGP01050032PC(18:1(9Z)/0:0)522.3559[M+H]+1232.48 (0.253)PNNL/Baker10.1039/C7SC03464D
LMGP01050032PC(18:1(9Z)/0:0)544.3379[M+Na]+1236 (0.768)PNNL/Baker10.1039/C7SC03464D
LMGP01050041PC(19:0/0:0)538.3872[M+H]+1241.81 (0.208)PNNL/Baker10.1039/C7SC03464D
LMGP01050041PC(19:0/0:0)560.3692[M+Na]+1239.79 (0.2)PNNL/Baker10.1039/C7SC03464D
LMGP01050045PC(20:0/0:0)552.4029[M+H]+1246.27 (0.1)PNNL/Baker10.1039/C7SC03464D
LMGP01050045PC(20:0/0:0)574.3848[M+Na]+1248.77 (0.666)PNNL/Baker10.1039/C7SC03464D
LMGP01050057PC(24:0/0:0)630.4474[M+Na]+1259.97 (0.321)PNNL/Baker10.1039/C7SC03464D
LMGP01060014PC(O-18:0/0:0)508.3767[M+H]+1236.13 (0.208)PNNL/Baker10.1039/C7SC03464D
LMGP01060014PC(O-18:0/0:0)530.3586[M+Na]+1234.74 (0.058)PNNL/Baker10.1039/C7SC03464D
LMGP02010009PE(16:0/18:1(9Z))716.5230[M-H]--1267.53 (0.455)McLean10.1021/acs.analchem.6b01728
LMGP02010009PE(16:0/18:1(9Z))718.5387[M+H]+1275.82 (1.131)McLean10.1021/acs.analchem.6b01728
LMGP02010009PE(16:0/18:1(9Z))740.5206[M+Na]+1281.68 (1.887)McLean10.1021/acs.analchem.6b01728
LMGP02010036PE(18:0/18:1(9Z))744.5543[M-H]--1273.46 (0.902)McLean10.1021/acs.analchem.6b01728
LMGP02010036PE(18:0/18:1(9Z))746.5699[M+H]+1282.75 (1.046)McLean10.1021/acs.analchem.6b01728
LMGP02010036PE(18:0/18:1(9Z))768.5519[M+Na]+1287.75 (1.985)McLean10.1021/acs.analchem.6b01728
LMGP02010037PE(16:0/16:0)690.5053[M-H]--1262.25 (0.166)McLean/MSMLS10.1021/acs.analchem.8b04322
LMGP02010037PE(16:0/16:0)690.5074[M-H]--1262.49 (0.577)McLean10.1021/acs.analchem.6b01728
LMGP02010037PE(16:0/16:0)692.5230[M+H]+1274.1 (0.74)McLean10.1021/acs.analchem.6b01728
LMGP02010037PE(16:0/16:0)714.5049[M+Na]+1277.32 (0.86)McLean10.1021/acs.analchem.6b01728
LMGP02010052PE(18:1(9Z)/18:1(9Z))742.5387[M-H]--1272.27 (0.517)McLean10.1021/acs.analchem.6b01728
LMGP02010052PE(18:1(9Z)/18:1(9Z))742.5387[M-H]--1273.53 (0.3)PNNL/Baker10.1039/C7SC03464D
LMGP02010052PE(18:1(9Z)/18:1(9Z))744.5543[M+H]+1284.87 (0.1)PNNL/Baker10.1039/C7SC03464D
LMGP02010052PE(18:1(9Z)/18:1(9Z))744.5543[M+H]+1279.77 (1.93)McLean10.1021/acs.analchem.6b01728
LMGP02010052PE(18:1(9Z)/18:1(9Z))766.5362[M+Na]+1284.87 (0.153)PNNL/Baker10.1039/C7SC03464D
LMGP02010052PE(18:1(9Z)/18:1(9Z))766.5362[M+Na]+1285.91 (0.743)McLean10.1021/acs.analchem.6b01728
LMGP02010097PE(18:0/18:0)746.5699[M-H]--1274.64 (0.33)McLean10.1021/acs.analchem.6b01728
LMGP02010097PE(18:0/18:0)748.5856[M+H]+1286.13 (0.229)McLean10.1021/acs.analchem.6b01728
LMGP02010097PE(18:0/18:0)770.5675[M+Na]+1289.76 (1.188)McLean10.1021/acs.analchem.6b01728
LMGP02010098PE(12:0/12:0)578.3822[M-H]--1238.54 (0.739)McLean10.1021/acs.analchem.6b01728
LMGP02010098PE(12:0/12:0)580.3978[M+H]+1248.85 (1.045)McLean10.1021/acs.analchem.6b01728
LMGP02010098PE(12:0/12:0)602.3798[M+Na]+1253.71 (0.964)McLean10.1021/acs.analchem.6b01728
LMGP02010101PE(10:0/10:0)522.3196[M-H]--1225.89 (0.497)McLean10.1021/acs.analchem.6b01728
LMGP02010101PE(10:0/10:0)524.3352[M+H]+1235.4 (0.4)McLean10.1021/acs.analchem.6b01728
LMGP02010101PE(10:0/10:0)546.3172[M+Na]+1242.92 (0.923)McLean10.1021/acs.analchem.6b01728
LMGP02010102PE(8:0/8:0)466.2570[M-H]--1213.43 (0.363)McLean10.1021/acs.analchem.6b01728
LMGP02010102PE(8:0/8:0)468.2726[M+H]+1220.28 (0.154)McLean10.1021/acs.analchem.6b01728
LMGP02010102PE(8:0/8:0)490.2546[M+Na]+1227.47 (0.887)McLean10.1021/acs.analchem.6b01728
LMGP02010104PE(6:0/6:0)410.1944[M-H]--1201.77 (0.464)McLean10.1021/acs.analchem.6b01728
LMGP02010104PE(6:0/6:0)412.2100[M+H]+1202.92 (2.212)McLean10.1021/acs.analchem.6b01728
LMGP02010104PE(6:0/6:0)434.1920[M+Na]+1208.36 (0.813)McLean10.1021/acs.analchem.6b01728
LMGP02010106PE(15:0/15:0)662.4761[M-H]--1256.28 (0.615)McLean10.1021/acs.analchem.6b01728
LMGP02010106PE(15:0/15:0)664.4917[M+H]+1267.34 (0.962)McLean10.1021/acs.analchem.6b01728
LMGP02010106PE(15:0/15:0)686.4736[M+Na]+1270.25 (1.486)McLean10.1021/acs.analchem.6b01728
LMGP02010108PE(16:1(9Z)/16:1(9Z))686.4761[M-H]--1259.13 (0.415)McLean10.1021/acs.analchem.6b01728
LMGP02010108PE(16:1(9Z)/16:1(9Z))688.4917[M+H]+1266.03 (1.224)McLean10.1021/acs.analchem.6b01728
LMGP02010108PE(16:1(9Z)/16:1(9Z))710.4736[M+Na]+1271.59 (1.439)McLean10.1021/acs.analchem.6b01728
LMGP02010352PE(14:0/14:0)634.4448[M-H]--1250.76 (0.376)McLean10.1021/acs.analchem.6b01728
LMGP02010352PE(14:0/14:0)636.4604[M+H]+1261.16 (1.462)McLean10.1021/acs.analchem.6b01728
LMGP02010352PE(14:0/14:0)658.4424[M+Na]+1263.29 (0.869)McLean10.1021/acs.analchem.6b01728
LMGP02011173PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))786.5074[M-H]--1277.3 (0.666)McLean10.1021/acs.analchem.6b01728
LMGP02011173PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))788.5230[M+H]+1282.26 (1.552)McLean10.1021/acs.analchem.6b01728
LMGP02011173PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))810.5049[M+Na]+1285.73 (1.514)McLean10.1021/acs.analchem.6b01728
LMGP02011213PE(17:0/17:0)718.5387[M-H]--1268.62 (0.564)McLean10.1021/acs.analchem.6b01728
LMGP02011213PE(17:0/17:0)720.5543[M+H]+1279.34 (1.844)McLean10.1021/acs.analchem.6b01728
LMGP02011213PE(17:0/17:0)742.5362[M+Na]+1282.12 (1.806)McLean10.1021/acs.analchem.6b01728
LMPK04000004Tylosin916.5269[M+H]+1307.46 (0.338)McLean/AB10.1039/C8SC04396E
LMPK04000004Tylosin954.4828[M+K]+1294.29 (0.324)McLean/AB10.1039/C8SC04396E
LMPK04000004Tylosin938.5089[M+Na]+1290.7 (0.32)McLean/AB10.1039/C8SC04396E
LMPK04000006Erythromycin1505.8861[2M+K]+1300.53 (0.861)McLean/AB10.1039/C8SC04396E
LMPK04000006Erythromycin1489.9122[2M+Na]+1296.67 (0.281)McLean/AB10.1039/C8SC04396E
LMPK04000006Erythromycin734.4690[M+H]+1193.32 (0.252)McLean/AB10.1039/C8SC04396E
LMPK04000006Erythromycin716.4585[M+H-H2O]+1191.37 (0.411)McLean/AB10.1039/C8SC04396E
LMPK04000006Erythromycin716.4585[M+H-H2O]+1197.57 (0.222)McLean/AB10.1039/C8SC04396E
LMPK04000006Erythromycin772.4249[M+K]+1197.46 (0.338)McLean/AB10.1039/C8SC04396E
LMPK04000006Erythromycin756.4510[M+Na]+1198.96 (0.239)McLean/AB10.1039/C8SC04396E
LMPK04000012Erythromycin B718.4741[M+H]+1194.38 (0.206)McLean/AB10.1039/C8SC04396E
LMPK04000012Erythromycin B740.4561[M+Na]+1197.64 (0.232)McLean/AB10.1039/C8SC04396E
LMPK04000014Clarithromycin748.4832[M+H]+1266.68 (0.334)McLean/AB10.1039/C8SC04396E
LMPK04000014Clarithromycin786.4367[M+K]+1268.86 (0.352)McLean/AB10.1039/C8SC04396E
LMPK04000014Clarithromycin770.4636[M+Na]+1270.55 (0.326)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B924.4956[M+H]+1311.53 (0.717)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B924.4956[M+H]+1323.52 (0.44)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B924.4956[M+H]+1334.93 (1.106)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B924.4956[M+H]+1324.23 (0.945)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B924.4956[M+H]+1335.65 (0.418)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B906.4851[M+H-H2O]+1311.76 (0.953)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B906.4851[M+H-H2O]+1312.15 (0.38)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B906.4851[M+H-H2O]+1335.57 (0.479)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B906.4851[M+H-H2O]+1334.45 (1.128)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B962.4529[M+K]+1344.51 (0.412)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B962.4515[M+K]+1343.43 (1.141)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4776[M+Na]+1326.2 (1.072)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4776[M+Na]+1339.87 (1.125)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4784[M+Na]+1340.9 (0.404)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4772[M+Na]+1295.7 (1.116)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4749[M+Na]+1318.16 (0.838)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4776[M+Na]+1298.25 (0.901)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4780[M+Na]+1325.05 (0.65)McLean/AB10.1039/C8SC04396E
LMPK06000002Amphotericin B946.4776[M+Na]+1318.46 (0.818)McLean/AB10.1039/C8SC04396E
LMPK06000004Nystatin A1926.5113[M+H]+1302.6 (0.351)McLean/AB10.1039/C8SC04396E
LMPK06000004Nystatin A1926.5113[M+H]+1314.42 (0.419)McLean/AB10.1039/C8SC04396E
LMPK06000004Nystatin A1908.5007[M+H-H2O]+1302.21 (0.329)McLean/AB10.1039/C8SC04396E
LMPK06000004Nystatin A1964.4672[M+K]+1305.97 (0.364)McLean/AB10.1039/C8SC04396E
LMPK06000004Nystatin A1948.4932[M+Na]+1308.53 (0.362)McLean/AB10.1039/C8SC04396E
LMPK12010001Delphinidin303.0505[M*]+1169.74 (0.058)PNNL/Baker10.1039/C7SC03464D
LMPK12010002Cyanidin287.0556[M*]+1166.62 (0.265)PNNL/Baker10.1039/C7SC03464D
LMPK12010004Malvidin331.0818[M*]+1176.88 (0.174)PNNL/Baker10.1039/C7SC03464D
LMPK12020001Catechin289.0712[M-H]--1159.16 (0.101)PNNL/Baker10.1039/C7SC03464D
LMPK12020001Catechin291.0869[M+H]+1163.63 (0.174)PNNL/Baker10.1039/C7SC03464D
LMPK12020001Catechin313.0688[M+Na]+1182.69 (0.253)PNNL/Baker10.1039/C7SC03464D
LMPK12040009Amentoflavone537.0822[M-H]--1216.15 (0.209)PNNL/Baker10.1039/C7SC03464D
LMPK12040009Amentoflavone539.0978[M+H]+1229.02 (0.307)PNNL/Baker10.1039/C7SC03464D
LMPK12050037Formononetin267.0657[M-H]--1168.2 (0.837)PNNL/Baker10.1039/C7SC03464D
LMPK12050037Formononetin291.0633[M+Na]+1174.49 (0.532)PNNL/Baker10.1039/C7SC03464D
LMPK12050038Daidzein253.0501[M-H]--1161.52 (0.416)PNNL/Baker10.1039/C7SC03464D
LMPK12050038Daidzein255.0657[M+H]+1155.76 (0.058)PNNL/Baker10.1039/C7SC03464D
LMPK12050038Daidzein277.0477[M+Na]+1171.51 (0.115)PNNL/Baker10.1039/C7SC03464D
LMPK12050218Genistein269.0450[M-H]--1163.32 (0.115)PNNL/Baker10.1039/C7SC03464D
LMPK12050218Genistein271.0606[M+H]+1176 (0.7)PNNL/Baker10.1039/C7SC03464D
LMPK12050218Genistein293.0426[M+Na]+1161.77 (0.551)PNNL/Baker10.1039/C7SC03464D
LMPK12050229Biochanin A283.0606[M-H]--1169.56 (0.201)PNNL/Baker10.1039/C7SC03464D
LMPK12050353Prunetin283.0606[M-H]--1174.3 (0.058)PNNL/Baker10.1039/C7SC03464D
LMPK12050353Prunetin285.0763[M+H]+1164.69 (0.806)PNNL/Baker10.1039/C7SC03464D
LMPK12050353Prunetin307.0582[M+Na]+1179.73 (1.492)PNNL/Baker10.1039/C7SC03464D
LMPK12060007Rotenone393.1338[M-H]--1201.51 (0.058)PNNL/Baker10.1039/C7SC03464D
LMPK12060007Rotenone395.1495[M+H]+1211.17 (0.654)PNNL/Baker10.1039/C7SC03464D
LMPK12060007Rotenone417.1314[M+Na]+1197.76 (0.496)PNNL/Baker10.1039/C7SC03464D
LMPK12110001Myricetin319.0454[M+H]+1192.08 (0.806)PNNL/Baker10.1039/C7SC03464D
LMPK12110001Myricetin341.0273[M+Na]+1172.76 (0.154)PNNL/Baker10.1039/C7SC03464D
LMPK12110002Isorhamnetin315.0505[M-H]--1173.73 (0.29)PNNL/Baker10.1039/C7SC03464D
LMPK12110002Isorhamnetin317.0661[M+H]+1194.07 (0.554)PNNL/Baker10.1039/C7SC03464D
LMPK12110002Isorhamnetin339.0481[M+Na]+1171.33 (0.353)PNNL/Baker10.1039/C7SC03464D
LMPK12110003Kaempferol285.0399[M-H]--1165.09 (0.669)PNNL/Baker10.1039/C7SC03464D
LMPK12110003Kaempferol287.0556[M+H]+1164.43 (0.101)PNNL/Baker10.1039/C7SC03464D
LMPK12110003Kaempferol309.0375[M+Na]+1185.44 (0.659)PNNL/Baker10.1039/C7SC03464D
LMPK12110468Acacetin283.0606[M-H]--1172.06 (0.704)PNNL/Baker10.1039/C7SC03464D
LMPK12110468Acacetin285.0763[M+H]+1166.23 (0.878)PNNL/Baker10.1039/C7SC03464D
LMPK12110880Tricetin 3',4',5'-trimethyl ether343.0818[M-H]--1190.71 (1.046)PNNL/Baker10.1039/C7SC03464D
LMPK12110880Tricetin 3',4',5'-trimethyl ether345.0974[M+H]+1183.85 (0.201)PNNL/Baker10.1039/C7SC03464D
LMPK12110880Tricetin 3',4',5'-trimethyl ether367.0794[M+Na]+1208.02 (0.253)PNNL/Baker10.1039/C7SC03464D
LMPK12111442Nevadensin157.0501[M-H]--1130.79 (0.209)PNNL/Baker10.1039/C7SC03464D
LMPK12111442Nevadensin181.0477[M+Na]+1138.14 (0.461)PNNL/Baker10.1039/C7SC03464D
LMPK12111443Tangeretin373.1287[M+H]+1186.14 (0)PNNL/Baker10.1039/C7SC03464D
LMPK12111443Tangeretin395.1107[M+Na]+1206.19 (0.232)PNNL/Baker10.1039/C7SC03464D
LMPK12120096Isoliquiritigenin255.0657[M-H]--1163.42 (0.706)PNNL/Baker10.1039/C7SC03464D
LMPK12120096Isoliquiritigenin257.0814[M+H]+1163.5 (0.307)PNNL/Baker10.1039/C7SC03464D
LMPK12120096Isoliquiritigenin279.0633[M+Na]+1185.61 (1.107)PNNL/Baker10.1039/C7SC03464D
LMPK12140001Naringenin271.0606[M-H]--1166.5 (0.727)PNNL/Baker10.1039/C7SC03464D
LMPK12140001Naringenin273.0763[M+H]+1166.39 (0.058)PNNL/Baker10.1039/C7SC03464D
LMPK12140002Eriodictyol289.0712[M+H]+1180.46 (0.116)PNNL/Baker10.1039/C7SC03464D
LMPK12140002Eriodictyol311.0532[M+Na]+1168.88 (0.101)PNNL/Baker10.1039/C7SC03464D
LMPK12140003Hesperetin301.0712[M-H]--1177.6 (0.116)PNNL/Baker10.1039/C7SC03464D
LMPK12140003Hesperetin303.0869[M+H]+1182.72 (0.438)PNNL/Baker10.1039/C7SC03464D
LMPK12140003Hesperetin325.0688[M+Na]+1174.89 (0.307)PNNL/Baker10.1039/C7SC03464D
LMPK12140216Pinostrobin269.0814[M-H]--1167.96 (1.646)PNNL/Baker10.1039/C7SC03464D
LMPK12140216Pinostrobin271.0970[M+H]+1162.7 (0.901)PNNL/Baker10.1039/C7SC03464D
LMPK13040008Emodin269.0450[M-H]--1156.13 (0.209)PNNL/Baker10.1039/C7SC03464D
LMPK13040008Emodin271.0606[M+H]+1159.78 (0.878)PNNL/Baker10.1039/C7SC03464D
LMPK14000003Cyclosporin A601.9253[M+2H]2+2195.98 (0.473)McLean/AB10.1039/C8SC04396E
LMPK14000003Cyclosporin A1202.8491[M+H]+1351.74 (0.383)McLean/AB10.1039/C8SC04396E
LMPK14000003Cyclosporin A620.9005[M+H+K]2+2194.4 (0.501)McLean/AB10.1039/C8SC04396E
LMPK14000003Cyclosporin A620.9005[M+H+K]2+2180.74 (0.386)McLean/AB10.1039/C8SC04396E
LMPK14000003Cyclosporin A620.9005[M+H+K]2+2186.32 (0.614)McLean/AB10.1039/C8SC04396E
LMPK14000003Cyclosporin A612.9158[M+H+Na]2+2191.95 (0.421)McLean/AB10.1039/C8SC04396E
LMPK14000003Cyclosporin A1240.8050[M+K]+1350.94 (0.368)McLean/AB10.1039/C8SC04396E
LMPK14000003Cyclosporin A1224.8311[M+Na]+1343.74 (0.364)McLean/AB10.1039/C8SC04396E
LMPR0102010001Geranyl diphosphate335.0431[M-2H+Na]--1173.81 (0.045)McLean/MSMLS10.1021/acs.analchem.8b04322
LMPR0102010001Geranyl diphosphate313.0602[M-H]--1167.16 (0.123)McLean/MSMLS10.1021/acs.analchem.8b04322
LMPR0102070001Loganin413.1424[M+Na]+1193.81 (0.174)PNNL/Baker10.1039/C7SC03464D
LMPR0102070002Secologanin387.1291[M-H]--1190.64 (0.572)PNNL/Baker10.1039/C7SC03464D
LMPR0102070002Secologanin411.1267[M+Na]+1190.16 (0.209)PNNL/Baker10.1039/C7SC03464D
LMPR0102120001Camphor153.1279[M+H]+1141.46 (0.154)PNNL/Baker10.1039/C7SC03464D
LMPR0102120019Thujone153.1279[M+H]+1140.49 (0.116)PNNL/Baker10.1039/C7SC03464D
LMPR01090019Retinoic Acid323.1973[M+Na]+1139.2 (0.403)McLean/MSMLS10.1021/acs.analchem.8b04322
LMPR02010001Coenzyme Q10885.6696[M+Na]+1306.57 (0.573)McLean/MSMLS10.1021/acs.analchem.8b04322
LMPR02020001alpha-tocopherol429.3726[M-H]--1208.56 (0.265)PNNL/Baker10.1039/C7SC03464D
LMPR02020001alpha-tocopherol431.3883[M+H]+1213.33 (0.346)PNNL/Baker10.1039/C7SC03464D
LMPR02020065gamma-tocopherol415.3569[M-H]--1207.56 (0.265)PNNL/Baker10.1039/C7SC03464D
LMPR02020065gamma-tocopherol417.3726[M+H]+1210.05 (0)PNNL/Baker10.1039/C7SC03464D
LMSP01020001Sphinganine302.3046[M+H]+1189.05 (0.307)McLean/MSMLS10.1021/acs.analchem.8b04322
LMSP01020001Sphinganine324.2865[M+Na]+1191.05 (0.012)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST0102000516:0 Cholesterol ester647.5704[M+Na]+1286.28 (0.396)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST020100332-Methoxyestrone299.1647[M-H]--1183.63 (1.686)PNNL/Baker10.1039/C7SC03464D
LMST020100332-Methoxyestrone301.1804[M+H]+1172.83 (0.154)PNNL/Baker10.1039/C7SC03464D
LMST020100332-Methoxyestrone323.1623[M+Na]+1199.82 (0.232)PNNL/Baker10.1039/C7SC03464D
LMST02020007Androstenedione287.2011[M+H]+1183.03 (0.727)PNNL/Baker10.1039/C7SC03464D
LMST02020007Androstenedione309.1830[M+Na]+1203.71 (1.559)PNNL/Baker10.1039/C7SC03464D
LMST02030001Cortisol361.2043[M-H]--1191.9 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030001Cortisol363.2166[M+H]+1189.31 (0.379)McLean/JCMay10.1039/C8SC04396E
LMST02030001Cortisol363.2164[M+H]+1188.6 (0.189)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030001Cortisol401.1736[M+K]+1210.7 (0.211)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030001Cortisol385.1990[M+Na]+1212.9 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030001Cortisol385.1985[M+Na]+1214.02 (0.578)McLean/JCMay10.1039/C8SC04396E
LMST02030026Aldosterone359.1858[M-H]--1187.37 (0.266)PNNL/Baker10.1039/C7SC03464D
LMST02030026Aldosterone361.2015[M+H]+1195.07 (0.266)PNNL/Baker10.1039/C7SC03464D
LMST02030026Aldosterone383.1834[M+Na]+1203.07 (0.101)PNNL/Baker10.1039/C7SC03464D
LMST0203008611-deoxycortisol347.2205[M+H]+1187.68 (0.068)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST0203008611-deoxycortisol369.2023[M+Na]+1210.98 (0.199)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030088Pregnenolone317.2480[M+H]+1214.13 (0.99)PNNL/Baker10.1039/C7SC03464D
LMST02030088Pregnenolone339.2300[M+Na]+1175.58 (0.99)PNNL/Baker10.1039/C7SC03464D
LMST0203008917alpha-Hydroxypregnenolone333.2430[M+H]+1188.66 (1.387)PNNL/Baker10.1039/C7SC03464D
LMST0203008917alpha-Hydroxypregnenolone355.2249[M+Na]+1208.52 (1.868)PNNL/Baker10.1039/C7SC03464D
LMST02030090Cortisone359.1840[M-H]--1191.39 (0.062)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030090Cortisone361.2008[M+H]+1188.32 (0.276)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030090Cortisone383.1809[M+Na]+1213.16 (0.407)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030093Cortisol 21-acetate403.2149[M-H]--1196.3 (0.196)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030093Cortisol 21-acetate405.2286[M+H]+1198.8 (0.199)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030093Cortisol 21-acetate443.1849[M+K]+1207.2 (0.207)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030093Cortisol 21-acetate427.2089[M+Na]+1203 (0.203)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030159Progesterone315.2324[M+H]+1184.98 (0.654)PNNL/Baker10.1039/C7SC03464D
LMST02030159Progesterone337.2143[M+Na]+1167.45 (0.058)PNNL/Baker10.1039/C7SC03464D
LMST0203016117alpha-hydroxyprogesterone329.2117[M-H]--1186.71 (1.293)PNNL/Baker10.1039/C7SC03464D
LMST0203016117alpha-hydroxyprogesterone331.2273[M+H]+1185.81 (0.878)PNNL/Baker10.1039/C7SC03464D
LMST0203016117alpha-hydroxyprogesterone353.2093[M+Na]+1208.28 (1.437)PNNL/Baker10.1039/C7SC03464D
LMST020301672,1-Hydroxypregnenolone333.2430[M+H]+1188.73 (1.307)PNNL/Baker10.1039/C7SC03464D
LMST020301672,1-Hydroxypregnenolone355.2249[M+Na]+1208.65 (1.957)PNNL/Baker10.1039/C7SC03464D
LMST02030186Corticosterone345.2043[M-H]--1186.8 (0.322)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030186Corticosterone347.2208[M+H]+1186.88 (0.355)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030186Corticosterone385.1789[M+K]+1208.41 (0.468)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST02030186Corticosterone369.2026[M+Na]+1211.83 (0.41)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010001Cholic acid407.2805[M-H]--1203.14 (0.117)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010001Cholic acid487.2366[M-H]--1210.01 (0.058)PNNL/Baker10.1039/C7SC03464D
LMST04010001Cholic acid431.2749[M+Na]+1197.52 (0.309)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010003Lithocholic acid375.2904[M-H]--1203.13 (0.283)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010003Lithocholic acid375.2899[M-H]--1199.34 (0.289)PNNL/Baker10.1039/C7SC03464D
LMST04010032Chenodeoxycholic Acid471.2417[M-H]--1205.54 (0.253)PNNL/Baker10.1039/C7SC03464D
LMST04010033Ursodeoxycholic Acid471.2417[M-H]--1207.94 (0.901)PNNL/Baker10.1039/C7SC03464D
LMST04010033Ursodeoxycholate391.2854[M-H]--1200.88 (0.185)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010033Ursodeoxycholate415.2815[M+Na]+1198.7 (0.115)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010040Deoxycholic acid391.2853[M-H]--1202.32 (0.068)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010040Deoxycholic acid391.2844[M-H]--1202.22 (0.167)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010040Deoxycholic acid391.2853[M-H]--1202.32 (0.068)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010040Deoxycholic acid471.2417[M-H]--1208.81 (0.116)PNNL/Baker10.1039/C7SC03464D
LMST04010040Deoxycholic acid391.2844[M-H]--1202.22 (0.167)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST04010064Hyocholic acid407.2798[M-H]--1203.88 (0.265)PNNL/Baker10.1039/C7SC03464D
LMST04010066alpha-muricholic acid407.2798[M-H]--1205.3 (0.252)PNNL/Baker10.1039/C7SC03464D
LMST04010067beta-muricholic acid407.2798[M-H]--1200.92 (0.493)PNNL/Baker10.1039/C7SC03464D
LMST04010088Ursocholic acid407.2798[M-H]--1202.98 (0.624)PNNL/Baker10.1039/C7SC03464D
LMST05020014Pregnenolone sulfate395.1910[M-H]--1206.2 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05020015Sulfolithocholic Acid455.2467[M-H]--1211.14 (0.058)PNNL/Baker10.1039/C7SC03464D
LMST05030001Glycocholic Acid464.3060[M-H]--1202.2 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05030001Glycocholic Acid544.2580[M-H]--1218.21 (0.058)PNNL/Baker10.1039/C7SC03464D
LMST05030001Glycocholic Acid466.3162[M+H]+1199.7 (0.2)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05030001Glycocholic Acid504.2694[M+K]+1208 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05030001Glycocholic Acid488.2993[M+Na]+1202.2 (0.202)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05030006Glycodeoxycholic Acid528.2631[M-H]--1217.85 (0.154)PNNL/Baker10.1039/C7SC03464D
LMST05030008Glycochenodeoxycholate448.3102[M-H]--1200.7 (0.201)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05030008Glycochenodeoxycholate450.3205[M+H]+1196.8 (0.197)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05030008Glycochenodeoxycholate472.3056[M+Na]+1203.6 (0)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05030009Glycolithocholic Acid512.2682[M-H]--1217.81 (0.209)PNNL/Baker10.1039/C7SC03464D
LMST05040001Taurocholic Acid594.2407[M-H]--1220.88 (0.503)PNNL/Baker10.1039/C7SC03464D
LMST05040005Taurochenodeoxycholic Acid578.2457[M-H]--1220.65 (0.819)PNNL/Baker10.1039/C7SC03464D
LMST05040013Taurodeoxycholic Acid578.2458[M-H]--1220.68 (0.532)PNNL/Baker10.1039/C7SC03464D
LMST05040018Lithocholyltaurine482.2954[M-H]--1206.56 (0.023)McLean/MSMLS10.1021/acs.analchem.8b04322
LMST05040018Lithocholyltaurine506.2897[M+Na]+1213.05 (0.291)McLean/MSMLS10.1021/acs.analchem.8b04322
-PS(38:2)860.5393[M+2Na-H]+1294.77 (0.837)McLean10.1021/ac4038448
-PE(34:1)762.5025[M+2Na-H]+1277.82 (0.485)McLean10.1021/ac4038448
-PA(35:1)733.4760[M+2Na-H]+1273.99 (0.497)McLean10.1021/ac4038448
-PA(35:2)731.4603[M+2Na-H]+1272.13 (0.367)McLean10.1021/ac4038448
-PA(36:1)747.4916[M+2Na-H]+1276.83 (0.435)McLean10.1021/ac4038448
-PA(36:2)745.4760[M+2Na-H]+1275.26 (0.258)McLean10.1021/ac4038448
-PA(36:3)743.4604[M+2Na-H]+1273.89 (0.663)McLean10.1021/ac4038448
-PA(36:4)741.4447[M+2Na-H]+1272.16 (0.561)McLean10.1021/ac4038448
-PA(36:5)739.4291[M+2Na-H]+1271.43 (0.142)McLean10.1021/ac4038448
-PA(38:3)771.4916[M+2Na-H]+1282.01 (0.623)McLean10.1021/ac4038448
-PA(38:4)769.4760[M+2Na-H]+1278.28 (0.581)McLean10.1021/ac4038448
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-PE(32:1)734.4712[M+2Na-H]+1271.03 (0.623)McLean10.1021/ac4038448
-PS(34:1)806.4924[M+2Na-H]+1283.03 (0.675)McLean10.1021/ac4038448
-PS(36:1)834.5237[M+2Na-H]+1290.23 (0.434)McLean10.1021/ac4038448
-PS(36:2)832.5080[M+2Na-H]+1288.23 (0.398)McLean10.1021/ac4038448
-PS(36:4)828.4767[M+2Na-H]+1283.75 (0.411)McLean10.1021/ac4038448
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-PS(37:2)846.5237[M+2Na-H]+1291.58 (0.726)McLean10.1021/ac4038448
-PS(37:4)842.4924[M+2Na-H]+1288.11 (0.984)McLean10.1021/ac4038448
-PS(38:1)862.5550[M+2Na-H]+1297.71 (0.58)McLean10.1021/ac4038448
-PS(38:4)856.5080[M+2Na-H]+1291.03 (0.519)McLean10.1021/ac4038448
-PS(38:5)854.4924[M+2Na-H]+1287.94 (0.545)McLean10.1021/ac4038448
-PS(39:4)870.5237[M+2Na-H]+1294.26 (0.62)McLean10.1021/ac4038448
-PS(40:1)890.5863[M+2Na-H]+1303.51 (0.591)McLean10.1021/ac4038448
-PS(40:2)888.5706[M+2Na-H]+1301.81 (0.432)McLean10.1021/ac4038448
-PS(40:4)884.5393[M+2Na-H]+1300.63 (0.619)McLean10.1021/ac4038448
-SM(d38:0)805.6175[M+2Na-H]+1297.01 (0.778)McLean10.1021/ac4038448
-SM(d41:0)847.6645[M+2Na-H]+1303.5 (0.69)McLean10.1021/ac4038448
-PE(37:1)804.5495[M+2Na-H]+1289.01 (0.407)McLean10.1021/ac4038448
-PE(36:4)784.4869[M+2Na-H]+1279.24 (0.337)McLean10.1021/ac4038448
-PE(36:3)786.5025[M+2Na-H]+1281.63 (0.329)McLean10.1021/ac4038448
-PE(36:2)788.5182[M+2Na-H]+1283.48 (0.297)McLean10.1021/ac4038448
-PE(36:1)790.5338[M+2Na-H]+1285.98 (0.456)McLean10.1021/ac4038448
-PE(35:1)776.5182[M+2Na-H]+1281.78 (0.27)McLean10.1021/ac4038448
-PE(34:3)758.4712[M+2Na-H]+1273.3 (0.497)McLean10.1021/ac4038448
-PE(34:2)760.4869[M+2Na-H]+1275.44 (0.368)McLean10.1021/ac4038448
-PS(O-35:2)804.5131[M+2Na-H]+1284.63 (0.699)McLean10.1021/ac4038448
-PS(44:8)932.5393[M+2Na-H]+1303.63 (0.689)McLean10.1021/ac4038448
-PS(44:7)934.5550[M+2Na-H]+1305.51 (0.843)McLean10.1021/ac4038448
-PS(44:5)938.5863[M+2Na-H]+1309.3 (0.825)McLean10.1021/ac4038448
-PS(42:9)902.4924[M+2Na-H]+1294.94 (0.444)McLean10.1021/ac4038448
-PS(42:8)904.5080[M+2Na-H]+1297.58 (0.509)McLean10.1021/ac4038448
-PS(42:7)906.5237[M+2Na-H]+1298.69 (0.512)McLean10.1021/ac4038448
-PS(42:6)908.5393[M+2Na-H]+1299.83 (0.615)McLean10.1021/ac4038448
-PS(42:5)910.5550[M+2Na-H]+1302.52 (0.543)McLean10.1021/ac4038448
-PS(42:4)912.5706[M+2Na-H]+1306.59 (0.637)McLean10.1021/ac4038448
-PS(42:2)916.6019[M+2Na-H]+1308.49 (0.57)McLean10.1021/ac4038448
-PS(41:6)894.5237[M+2Na-H]+1298.52 (0.788)McLean10.1021/ac4038448
-PS(41:5)896.5393[M+2Na-H]+1300.79 (0.486)McLean10.1021/ac4038448
-PS(40:9)874.4611[M+2Na-H]+1287.07 (1.34)McLean10.1021/ac4038448
-PS(40:8)876.4767[M+2Na-H]+1290.25 (0.42)McLean10.1021/ac4038448
-PS(40:7)878.4924[M+2Na-H]+1292.44 (0.609)McLean10.1021/ac4038448
-PS(40:6)880.5080[M+2Na-H]+1297.95 (0.471)McLean10.1021/ac4038448
-PS(40:5)882.5237[M+2Na-H]+1299.52 (0.526)McLean10.1021/ac4038448
-PE(O-40:6)822.5389[M+2Na-H]+1290.47 (0.326)McLean10.1021/ac4038448
-PE(O-40:4)826.5702[M+2Na-H]+1295.84 (0.56)McLean10.1021/ac4038448
-PE(O-38:6)794.5076[M+2Na-H]+1283.07 (0.399)McLean10.1021/ac4038448
-PE(O-38:5)796.5233[M+2Na-H]+1284.71 (0.378)McLean10.1021/ac4038448
-PE(O-38:4)798.5389[M+2Na-H]+1286.93 (0.47)McLean10.1021/ac4038448
-PE(O-38:3)800.5546[M+2Na-H]+1289.69 (0.381)McLean10.1021/ac4038448
-PE(O-38:2)802.5702[M+2Na-H]+1291.62 (0.394)McLean10.1021/ac4038448
-PE(O-36:4)770.5076[M+2Na-H]+1280.33 (0.394)McLean10.1021/ac4038448
-PE(O-36:3)772.5233[M+2Na-H]+1281.68 (0.321)McLean10.1021/ac4038448
-PE(O-36:2)774.5389[M+2Na-H]+1283.12 (0.647)McLean10.1021/ac4038448
-PE(O-36:1)776.5546[M+2Na-H]+1285.47 (0.331)McLean10.1021/ac4038448
-PE(O-34:3)744.4920[M+2Na-H]+1273.73 (0.48)McLean10.1021/ac4038448
-PE(O-34:2)746.5076[M+2Na-H]+1275.71 (0.235)McLean10.1021/ac4038448
-PE(O-34:1)748.5233[M+2Na-H]+1278.4 (0.227)McLean10.1021/ac4038448
-PE(O-32:1)720.4920[M+2Na-H]+1270.47 (0.314)McLean10.1021/ac4038448
-PE(40:7)834.5025[M+2Na-H]+1288.33 (0.247)McLean10.1021/ac4038448
-PE(40:6)836.5182[M+2Na-H]+1290.13 (0.413)McLean10.1021/ac4038448
-PE(40:5)838.5338[M+2Na-H]+1291.82 (0.437)McLean10.1021/ac4038448
-PE(39:2)830.5651[M+2Na-H]+1294.15 (0.527)McLean10.1021/ac4038448
-PE(38:6)808.4869[M+2Na-H]+1283.22 (0.415)McLean10.1021/ac4038448
-PE(38:5)810.5025[M+2Na-H]+1285.79 (1.231)McLean10.1021/ac4038448
-PE(38:4)812.5182[M+2Na-H]+1287.21 (0.364)McLean10.1021/ac4038448
-PE(38:4(OH))828.5131[M+2Na-H]+1288.47 (0.431)McLean10.1021/ac4038448
-PE(38:3)814.5338[M+2Na-H]+1288.72 (0.4)McLean10.1021/ac4038448
-PE(38:2)816.5495[M+2Na-H]+1291.08 (0.46)McLean10.1021/ac4038448
-PE(37:3)800.5182[M+2Na-H]+1284.35 (0.547)McLean10.1021/ac4038448
-PE(37:2)802.5338[M+2Na-H]+1287.43 (0.18)McLean10.1021/ac4038448
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