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Samples for study ST000938

Species: None (Factor headings shown in green)
mb_sample_id Subject name Sample name Sample Type Sample_Data:observed m/z([M+H]+) CCS([M+H]+) RSD %([M+H]+) observed m/z([M+·]) CCS([M+·]) RSD %([M+·]) observed m/z([M-H]-) CCS([M-H]-) RSD %([M-H]-) observed m/z([M-Cl+O]-) CCS([M-Cl+O]-) RSD %([M-Cl+O]-) observed m/z([M-Br+O]-) CCS([M-Br+O]-) RSD %([M-Br+O]-)
SA055776-1, 2-DimethylnaphthaleneStandard157.1016130.93337690.345296585156.0936128.35291360.147698544N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055809-12-Hydroxybenzo(a)pyreneStandardN/AN/AN/AN/AN/AN/A267.0818163.10.061312078N/AN/AN/AN/AN/AN/A
SA055806-1, 5 dihydroxynaphthaleneStandardN/AN/AN/AN/AN/AN/A159.045133.63333330.345632488N/AN/AN/AN/AN/AN/A
SA055780-1,6-DimethylnaphthaleneStandard157.1011130.12907660.192719927156.0929127.81671340.098103235N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055814-1-HydroxypyreneStandardN/AN/AN/AN/AN/AN/A217.0666148.46666670.07777507N/AN/AN/AN/AN/AN/A
SA055779-1-methylnaphthaleneStandard143.0852125.20273760.136483392142.0776123.49359960.138372307N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055754-2,2',3,3',4,4',5,5',6-Nonabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A808.3383202.76666670.056947257
SA055719-2,2',3,3',4,4',5,5',6-NonachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A440.7532183.46666670.031468946N/AN/AN/A
SA055750-2,2',3,3',4,4',5,5'-OctachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A406.7932180.33333330.032015727N/AN/AN/A
SA055717-2,2',3,3',4,4',5,6,6'-NonachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A440.7538181.70.110071547N/AN/AN/A
SA055721-2,2',3,3',4,4',5,6-OctachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A406.7932178.03333330.032429335N/AN/AN/A
SA055747-2,2',3,3',4,4'-Hexabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A574.6094184.56666670.08276279
SA055718-2,2',3,3',4,5,5',6,6'-NonachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A440.7505182.06666670.083899225N/AN/AN/A
SA055720-2,2',3,3',5,5',6,6'-OctachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A406.7902176.90.056529112N/AN/AN/A
SA055753-2,2',3,4,4',5,5'6-Octabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A730.4287195.70.05109862
SA055756-2,2',3,4,4’,5',6-Heptabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A652.5247189.86776230.185978001
SA055751-2,2',3,4,4',5'-Hexabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A574.611184.86666670.082628484
SA055796-2,2′,3,4,4′,5′-HexachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A338.87167.98185790.124600918N/AN/AN/A
SA055749-2,2',3,4,4'-Pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A496.7007176.96666670.065249607
SA055752-2,2',4,4’,5,5'-Hexabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A574.6183.53333330.514981725
SA055757-2,2',4,4',5,6’-Hexabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A574.6108183.56666670.113401089
SA055748-2,2',4,4’,6-Pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A496.701175.36666670.032922464
SA055729-2,2',4,4'-Tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A418.7896169.73333330.034015138
SA055792-2,2′,4,5,5′-PentachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A304.91162.55227670.071424776N/AN/AN/A
SA055791-2,2',4,5',6-PentachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A304.91160.74241630.144457949N/AN/AN/A
SA055711-2,2',4-Tribromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A340.8794160.63333330.071884242
SA055803-2,2',5,5'-TetrachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A270.95156.68698830.364892452N/AN/AN/A
SA055797-2,3,3',4,4',5,5'-HeptachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A372.8321173.93333330.033193768N/AN/AN/A
SA055755-2,3,3',4,4',5,6-Heptabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A652.5193191.03333330.030222488
SA055798-2,3,3',4,4',5,6-HeptachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A372.8324173.33333330.066617339N/AN/AN/A
SA055801-2,3,3',4,4',5-HexachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A338.8711168.23333330.068636846N/AN/AN/A
SA055789-2,3,3',4,4'-PentachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A304.9101161.63333330.035719753N/AN/AN/A
SA055759-2,3,3',4',5,5',6-HeptachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A372.8297173.86666670.066412991N/AN/AN/A
SA055800-2,3',4,4',5,5'-HexachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A338.8716167.83333330.068800429N/AN/AN/A
SA055790-2,3,4,4',5-PentachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A304.9109162.13333330.035609597N/AN/AN/A
SA055758-2,3',4,4'-Tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A418.7902170.30.101705861
SA055746-2,3,4,5,6-Pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A496.7001172-
SA055802-2,3',4',5-TetrachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A270.9472155.63333330.148387304N/AN/AN/A
SA055804-2, 3-dihydroxynaphthaleneStandardN/AN/AN/AN/AN/AN/A159.0461131.73333330.158021204N/AN/AN/AN/AN/AN/A
SA055765-2, 3-DimethylanthraceneStandard207.1171146.14805640.085798151N/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055813-2,4,4'-TrichlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A236.9873149.66666670.139086815N/AN/AN/A
SA055811- 2,4,5-TrichlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A236.986062150.66666670.167031735N/AN/AN/A
SA055812- 2,4,6-TrichlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A236.9877150.10.115393125N/AN/AN/A
SA055805-2, 6- dihydroxynaphthaleneStandardN/AN/AN/AN/AN/AN/A159.0446018137.46666670.413645056N/AN/AN/AN/AN/AN/A
SA055781-2, 7-DimethylnaphthaleneStandard157.1017131.00040190.108535193N/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055703-2-Hydroxy-2',3',4',5,5'-pentachlorobiphenylStandardN/AN/AN/AN/AN/AN/A338.8691166.83333330.226929404N/AN/AN/AN/AN/AN/A
SA055738-2'-Hydroxy-2,3',4,5'-tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A496.7002176.06666670.142935146N/AN/AN/AN/AN/AN/A
SA055734-2'-Hydroxy-2,4,4'-tribromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A418.7911169.13333330.034135806N/AN/AN/AN/AN/AN/A
SA055724-2-Hydroxy-2',5'-dichlorobiphenylStandardN/AN/AN/AN/AN/AN/A236.9891151.63333330.42908818N/AN/AN/AN/AN/AN/A
SA055744-2'-Hydroxy-4-monobromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A262.9719152.96666670.099860006N/AN/AN/AN/AN/AN/A
SA055727-2-Hydroxy-5-chlorobiphenylStandardN/AN/AN/AN/AN/AN/A203.0271144.03333330.08016898N/AN/AN/AN/AN/AN/A
SA055783-2-MethylanthraceneStandard192.101138.60774170.298085784192.0943137.26724130.282613206N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055778-2-methylnaphthaleneStandard143.0849124.5660.11414153142.0777123.1919870.038471533N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055799-3,3',4,4',5,5'-HexachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A338.8694169.96666670.122474956N/AN/AN/A
SA055795-3,3',4,4',5-PentachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A304.9108164.43333330.03511151N/AN/AN/A
SA055730-3,3',4,4'-Tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A418.7916172.06666670.033553871
SA055793-3,3′,4,4′-TetrachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A270.95156.78753610.097960147N/AN/AN/A
SA055794-3,4,4',5-TetrachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A270.9489158.56666670.07282114N/AN/AN/A
SA055763-3,6-DimethylphenanthreneStandard207.1167145.57834380.056387885206.1095144.43891840.086813396N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055710-3'-Hydroxy-2,2',3,4,4',5,6'-heptachlorobiphenylStandardN/AN/AN/AN/AN/AN/A406.7945178.56666670.287377344N/AN/AN/AN/AN/AN/A
SA055739-3-Hydroxy-2,2',4,4',6-pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A574.6102181.73333330.063538181N/AN/AN/AN/AN/AN/A
SA055731-3-Hydroxy-2,2',4,4'-tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A496.7022177.23333330.086187243N/AN/AN/AN/AN/AN/A
SA055735-3'-Hydroxy-2,4-dibromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A340.8822164.60.160738233N/AN/AN/AN/AN/AN/A
SA055725-3-Hydroxy-2',5'-dichlorobiphenylStandardN/AN/AN/AN/AN/AN/A236.987155.43333330.037144559N/AN/AN/AN/AN/AN/A
SA055712-4'-Hydroxy-2,2',3,3',4,5,5'-heptachlorobiphenylStandardN/AN/AN/AN/AN/AN/A406.7911180.36666670.139527526N/AN/AN/AN/AN/AN/A
SA055733-4-Hydroxy-2,2',3,4'-tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A496.7022176.90.097911295N/AN/AN/AN/AN/AN/A
SA055740-4'-Hydroxy-2,2',4,5,5'-pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A574.6123185.40.247172368N/AN/AN/AN/AN/AN/A
SA055708-4-Hydroxy-2,2',4',6'-tetrachlorobiphenylStandardN/AN/AN/AN/AN/AN/A304.9109163.23333330.035369631N/AN/AN/AN/AN/AN/A
SA055736-4'-Hydroxy-2,2',4-tribromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A418.7917169.86666670.122547056N/AN/AN/AN/AN/AN/A
SA055706-4-Hydroxy-2,2',5'-trichlorobiphenylStandardN/AN/AN/AN/AN/AN/A270.9495158.90.062932662N/AN/AN/AN/AN/AN/A
SA055709-4-Hydroxy-2',3,3',4',5,5'-hexachlorobiphenylStandardN/AN/AN/AN/AN/AN/A372.8324175.30.057045066N/AN/AN/AN/AN/AN/A
SA055707-4-Hydroxy-2',3,3',4',5'-pentachlorobiphenylStandardN/AN/AN/AN/AN/AN/A338.8697169.96666670.089872047N/AN/AN/AN/AN/AN/A
SA055714-4-Hydroxy-2',3,3',5,5',6'-hexachlorobiphenylStandardN/AN/AN/AN/AN/AN/A372.8319175.70.098580012N/AN/AN/AN/AN/AN/A
SA055704-4-Hydroxy-2',3',4',5'-tetrachlorobiphenylStandardN/AN/AN/AN/AN/AN/A304.91163.66666670.035275984N/AN/AN/AN/AN/AN/A
SA055702-4-Hydroxy-2',3',5',6'-tetrachlorobiphenylStandardN/AN/AN/AN/AN/AN/A304.9094163.96666670.186321435N/AN/AN/AN/AN/AN/A
SA055705-4-Hydroxy-2',4',6'-trichlorobiphenylStandardN/AN/AN/AN/AN/AN/A270.9493159.83333330.036122019N/AN/AN/AN/AN/AN/A
SA055716-4-Hydroxy-2',5'-dichlorobiphenylStandardN/AN/AN/AN/AN/AN/A236.9879153.13333330.075404911N/AN/AN/AN/AN/AN/A
SA055723-4-Hydroxy-2-chlorobiphenylStandardN/AN/AN/AN/AN/AN/A203.0274147.50.06779661N/AN/AN/AN/AN/AN/A
SA055715-4-Hydroxy-3,5-dichlorobiphenylStandardN/AN/AN/AN/AN/AN/A236.9888151.46666670.100848937N/AN/AN/AN/AN/AN/A
SA055728-4-Hydroxy-3-chlorobiphenylStandardN/AN/AN/AN/AN/AN/A203.0281146.53333330.104244215N/AN/AN/AN/AN/AN/A
SA055726-4-Hydroxy-4'-chlorobiphenylStandardN/AN/AN/AN/AN/AN/A203.0285148.26666670.383514436N/AN/AN/AN/AN/AN/A
SA055768-5, 12-naphthacene quinoneStandard259.0772157.54230990.87655383N/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055713-5-Hydroxy-2,2',3,4,4',5'-hexachlorobiphenylStandardN/AN/AN/AN/AN/AN/A372.8334174.63333330.033060714N/AN/AN/AN/AN/AN/A
SA055742-5'-Hydroxy-2,2',4,4',5-pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A574.6134184.30.391269807N/AN/AN/AN/AN/AN/A
SA055732-5-Hydroxy-2,2',4,4'-tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A496.701177.53333330.117254938N/AN/AN/AN/AN/AN/A
SA055743-6-Hydroxy-2,2',3,4,4'-pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A574.6103183.53333330.083228763N/AN/AN/AN/AN/AN/A
SA055741-6'-Hydroxy-2,2',4,4',5-pentabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A574.6084183.26666670.063006577N/AN/AN/AN/AN/AN/A
SA055737-6-Hydroxy-2,2',4,4'-tetrabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/A496.7011175.53333330.31376209N/AN/AN/AN/AN/AN/A
SA055815-6-HydroxychryseneStandardN/AN/AN/AN/AN/AN/A243.0817157.83333330.073159485N/AN/AN/AN/AN/AN/A
SA055810-7-hydroxybenzo(a)pyreneStandardN/AN/AN/AN/AN/AN/A267.0818163.2-N/AN/AN/AN/AN/AN/A
SA055774-9-MethylanthraceneStandardN/AN/AN/A192.0936136.42942850.06016924N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055775-AcenaphtheneStandardN/AN/AN/AN/A128.50.11005553N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055782-AcenaphthenequinoneStandard183.0439144.023550.45N/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055777-AcenaphthyleneStandard153.0692125.70542530.09975093152.062124.80058750.03797566N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055785-AnthraceneStandardN/AN/AN/A178.0792133.06666670.141704766N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055762-AnthraquinoneStandard209.0592141.89196770.133605438N/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055761-BenzanthroneStandard231.082145.71239380.065051222230.0732144.6064810.032774358N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055767-Benz(j)aceanthryleneStandard253.0994155.07914040.032414911252.093152.68299590.08212593N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055770-Benzo(a)PyreneStandard253.0998152.04625820.082469856252.0939151.2419580.112985143N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055772-Benzo(b)fluorantheneStandardN/AN/AN/A252.0932151.94572070.082524424N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055769-Benzo(g,h,i)peryleneStandard277.1157.30772230.120512447276.0939155.83317190.105354398N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055771-Benzo(k)fluorantheneStandard253.1001154.35862140.532689715252.0939152.98460850.172486481N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055788-CoroneneStandardN/AN/AN/A300.0936161.86542370.124223602N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055745-Decabromodiphenyl etherStandardN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A886.2387205.23333330.20285847
SA055722-DecachlorobiphenylStandardN/AN/AN/AN/AN/AN/AN/AN/AN/A474.71185.87936630.578399385N/AN/AN/A
SA055808-Dibenzo(a,h)pyreneStandard303.1159166.49015010.098610698302.1095165.21667470.075895687N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055807-DibenzochryseneStandard303.1161166.69122510.049245873302.1095165.45126220.057290402N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055764-FluorantheneStandard203.0823138.8423292-202.0826138.33964160.059338414N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055786-FluoreneStandardN/AN/AN/A166.0785130.90.124751196N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055787-Indeno(1,2,3-cd)pyreneStandard277.0993159.6535980.556156226276.0939158.1455350.187153229N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055816-NaphthaleneStandard129.0685120.27639870.315232892128.0636118.83536070.182762005N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055784-PerinaphthenonStandard181.0651134.58624050.553439013N/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055773-PyreneStandard203.0829137.9710040.090883104202.079137.50182880.191908552N/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055766-Pyrene-4,5 dioneStandard233.0599144.30486840.03284286N/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/AN/A
SA055760-TriphenyleneStandardN/AN/AN/A228.0934144.8075560.032728849N/AN/AN/AN/AN/AN/AN/AN/AN/A
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