compound_id,identification,formula,metabolite_class,mz_detected,rt_min,opls_p1,opls_p2,p_value,101kPa_RH50_Rep1,101kPa_RH50_Rep2,101kPa_RH50_Rep3,62kPa_RH50_Rep1,62kPa_RH50_Rep2,62kPa_RH50_Rep3,62kPa_RH70_Rep1,62kPa_RH70_Rep2,62kPa_RH70_Rep3,101kPa_RH25_Rep1,101kPa_RH25_Rep2,101kPa_RH25_Rep3,log2FC_62kPa_RH50_vs_101kPa_RH50,log2FC_62kPa_RH70_vs_101kPa_RH50,log2FC_62kPa_RH70_vs_62kPa_RH50,log2FC_101kPa_RH25_vs_101kPa_RH50
602,Glucoraphanin,C12H23NO10S3,sulfinylalkyl glucosinolate,436.040327434456,1.66321666666667,0.226966,0.305596,0.04614813545885853,401807.478140513,435669.410657372,418297.88294711,436486.285135861,495215.631794556,508711.856706349,367755.641361455,462609.279734747,534279.776019557,411310.144647626,394694.451616932,377639.421696585,0.19790512409018327,0.11994736650072242,-0.07795775758946086,-0.08534226991794644
1132,kaempferol-3-O-rhamnoside-7-O-rhamnoside,C27H30O14,flavonol,577.15584532252,6.48228333333333,0.192348,0.139861,0.009196536950307347,55064.2519893306,62022.4575060552,45409.8971916385,80035.3210911077,104223.94695938,86890.7626585903,55932.4555220649,72313.3226979922,75169.6767130652,69916.4735862898,72621.5534803154,48583.9630326545,0.7386710693583666,0.3240143459224599,-0.4146567234359066,0.23408020059520157
699,UI (contain malonic acid),,Unclassified,665.226244202847,5.81111666666667,0.181449,0.0697027,0.0062090959508210005,7748.57442369743,5308.54020597853,6403.04773582846,28350.8582232804,40420.9657888174,35674.0599855039,54638.2182128161,46314.3783025574,52698.6222248966,1736.49494439409,2117.04382980337,1644.77136061814,2.4239790350679957,2.980869335512495,0.556890300444499,-1.822898995662139
841,UI,,Unclassified,643.244439337246,5.81111666666667,0.175809,0.0697511,0.008496429198398655,9164.4972737488,6593.94304464261,7391.12592242201,27217.9466593513,40289.8121726878,34460.7976430999,61840.8217268644,40027.0165768979,59258.7451366404,2453.68911051322,2864.22692691983,2294.98422374409,2.138922772488404,2.798977381185013,0.6600546086966087,-1.6040856211531094
660,Kaempferol 3-O-(rhamnosyl) glucoside-7-O-rhamnoside,C33H40O19,flavonol,739.207428359571,5.28655,0.147104,0.0816213,0.00744409988707995,27573.6544397846,28991.2738117554,23199.0372470815,41934.3419780298,53393.8649350924,44454.6475815778,30922.3350818645,37153.4565269265,40777.8371595057,34800.8666640351,34544.5388514686,24850.1761227899,0.809355074905883,0.448565961420545,-0.360789113485338,0.23991394129436475
696,sinapoyl malic acid,C15H16O9,hydroxycinnamic acid derivative,339.072209124601,6.72075,0.142888,0.108789,0.033020533460629914,111358.627942548,109871.986090933,106640.492243132,116658.55659105,131046.467548004,132634.999766357,130547.021806002,113527.325225371,126936.768829374,108235.86453826,112563.870967247,104750.055060293,0.2141591739963374,0.17833210768864516,-0.03582706630769203,-0.010250464953386544
3,UI,,Unclassified,323.13429031308,5.81111666666667,0.130095,0.0519986,0.005128910681238124,10423.7341361086,9236.96530685069,9453.1199805931,21095.7939966544,26727.7416819181,25209.6015505432,31886.4525351206,32347.3135190514,31748.1444116225,4070.57424674502,4543.49981069635,4307.41812803517,1.3267576940631889,1.7209548500663598,0.3941971560031707,-1.1717451744043546
1,glucobrassicin,C16H20N2O9S2,Indole glucosinolate,447.053186974402,4.77008333333333,0.125678,0.0864058,0.03230865056282102,86481.65430937,89727.4486646475,93902.3248444821,96960.826090503,113482.320640628,106654.179371472,79150.7250526991,108077.904637467,117380.38127543,80788.2261740146,78122.3211960442,71191.2038143672,0.23136865946968418,0.17340212732708854,-0.05796653214259566,-0.23127992910416212
686,UI,,Unclassified,696.155566254928,5.81111666666667,0.11926,0.0504157,0.009552523874922727,3021.18018825024,2093.75131914014,2496.09741814324,11407.5915701075,17562.4023420766,15189.131124179,25622.3436736446,20568.5806737043,24301.0805938256,511.52030534574,673.555991239001,467.839020778016,2.5360776390076736,3.2107890804169448,0.674711441409271,-2.201031154619221
1091,sinapoyl malic acid adduct,,Unclassified,701.131792586203,6.72075,0.101272,0.0615058,0.024702530178402463,37364.1992602538,35541.6238910479,34513.9006828404,39687.2303280709,46484.0456274774,45960.9960457695,46574.3688663597,33472.0534239269,43389.0584477925,35475.8828885423,38543.5705164982,29541.2273697178,0.2987164205921719,0.20049300229919126,-0.0982234182929808,-0.052781062024908704
7,UI,,Unclassified,281.12393401543,4.43975,0.100001,0.0379446,0.002547200818766771,4321.52042710439,3966.67964577798,4043.59675995542,11723.7848511209,13950.5088499966,13650.6272364989,14729.3199303164,13048.5999204536,14010.4589086885,2014.61547312534,2204.17015726734,2121.75303181695,1.6728199674034934,1.7604714029717445,0.08765143556825121,-0.9593741940426975
668,UI,,Unclassified,1009.33225004358,5.81111666666667,0.0965732,0.0378219,0.007526799210635363,1059.10655882961,558.063533681794,822.926508912447,7072.88276475976,10713.8065135486,8954.3565317591,16144.6285760591,12009.5631028567,15255.6142985546,57.7595130093359,108.583790438486,26.3872553135027,3.452434916447767,4.151337859066275,0.6989029426185076,-3.6417699878702123
2012,UI,,Unclassified,566.156416550964,0.83735,0.090017,0.0414461,0.014938388969609102,4962.27427562051,4930.66684423941,4615.7097830079,10039.3347282569,14406.3399604589,11521.3373277343,6425.10534357286,8298.38853637015,8188.19062184034,8188.82496803838,6972.58199222903,7161.25556483238,1.3095829859907862,0.6590607668254164,-0.6505222191653695,0.6214913332304357
1067,Kaempferol 3-O-glucoside 7-O-rhamnoside,C27H30O15,flavonol,593.150563177409,6.01818333333333,0.0898399,0.065529,0.00994007492069288,10929.7449576343,12502.8704679545,8616.75921759052,16430.3275461366,21821.3818600403,17697.54923721,11013.5153112382,12922.0429582403,14084.9392145091,14469.9632830696,15571.5604778358,10064.3750170325,0.8037651253252173,0.24645999551595643,-0.5573051298092607,0.32349111154268806
728,"sinapoyl malic acid, fragment",,Unclassified,223.060904267618,6.72075,0.0797328,0.0807441,0.05582286309366153,37162.6731011647,37242.617722614,35097.6444911125,37839.2944655191,44153.3338393821,44886.4657999152,43016.0287078212,38549.8500640453,42341.1887434157,36176.4181060767,37178.2470176347,35839.0115300819,0.2124794198311916,0.17828434189898146,-0.03419507793221015,-0.0040801180203699616
1122,UI,,Unclassified,1040.26208173439,5.81111666666667,0.0773395,0.0293998,0.007079403767849257,741.13106697801,404.639510561596,580.228693214397,4645.31074999076,6926.93423812005,5750.11430695979,10757.9549239436,7920.10511838032,10195.9826200992,49.3660306440743,82.6169544539871,20.2547276735418,3.324876105827343,4.0619138358081965,0.737037729980853,-3.477386273243857
1908,putative MGDG,,MGDG,793.399753330457,14.67,-0.0678218,-0.00133643,0.042144231638785654,8813.91826552657,12130.8167317856,12555.582656337,8080.70666738228,8051.56195815713,6835.15528884246,78549.7093003746,27529.3898899205,33100.9815253319,9321.39144901501,4420.20743560789,2656.2237914844,-0.5445264833900246,2.0546079757759443,2.599134459165969,-1.0305357817922343
1805,"MGDG (FA1: 323,225; FA2: 263,166)",C44H70O13,MGDG/oxylipin,851.478036746432,14.4524666666667,-0.0695249,0.0861856,0.405783699852227,38265.1302269579,59781.3430366727,51940.5581129967,52109.6584172189,45205.5741948086,47406.7628519954,154429.676607947,95094.9861043374,96835.3207187884,25419.7129592631,17608.5291898788,23256.6582578169,-0.0515525082953027,1.2074181346862938,1.2589706429815963,-1.178049156651787
1361,8-methylthiooctyl glucosinolate,C16H31NO9S3,thioalkyl glucosinolate,476.108175901102,8.69235,-0.0742186,-0.0129972,0.005366979937710515,14261.7530693665,15034.817443288,17365.6445442309,8750.07587699534,10206.0428139632,10633.9681705902,15181.8075355843,14437.7619368894,17771.0795826823,13812.8677075401,16461.2370422712,14690.3348001841,-0.657087352050942,0.022346200701435233,0.6794335527523773,-0.053466805114621284
410,8-methylsulfinyloctyl glucosinolate,C16H31NO10S3,thioalkyl glucosinolate,492.10303891681,8.69235,-0.0761955,0.00960259,0.005440233967037801,24858.7547249866,26463.7138507116,27378.2951849972,18167.8432258893,20739.0253084319,21573.2487185577,25140.5473360465,27672.9228989954,28118.7682358106,24354.339338034,26189.0316272266,28480.0678535744,-0.37990013289182367,0.04033534606180261,0.4202354789536262,0.005902767485188901
1986,DGDG (FA1:OPDA; FA2: OPDA),C51H80O17,DGDG/oxylipin,1009.5341656059,14.4629333333333,-0.0773505,-0.0538214,0.0465022912615748,20008.7930244875,22093.81803966,26651.6954313085,19577.7781657875,17307.8109036714,15763.3611204057,264093.133671221,56361.7202624648,69649.8838652976,19347.8610744114,9788.31280298128,7291.31902507227,-0.385026061051715,2.504287679768874,2.889313740820589,-0.9163665148719685
1111,Glucoibarin - 7-Methylsulphinylheptyl- (7MSOH),C15H29NO10S3,thioalkyl glucosinolate,478.087025702434,4.06751666666667,-0.0793683,0.0173453,0.004388997222275773,22695.848639271,24039.3365211519,22141.802268681,14999.7730840055,16314.3927119295,18332.2937920353,14458.4791526721,16720.8437889527,22316.1428545824,23004.7599003994,22933.5701741754,20032.8755944453,-0.4723068646840106,-0.3645873602582387,0.10771950442577202,-0.06218280386262335
1985,putative MGDG,,MGDG,883.493003089776,13.4823666666667,-0.086345,0.0354319,0.19315714687189176,28116.108495899,40832.5894351716,35733.8553098825,34714.2104281797,27862.2377398803,29339.4370532721,66716.6326241217,64039.8409721029,39798.9369331758,25021.3529413396,21258.6147016319,24043.3592060736,-0.18762915557473528,0.7042035365011873,0.8918326920759225,-0.5739255897024537
2249,"MGDG (FA1: 263,166; FA2: 309,208)",C43H68O13,MGDG/oxylipin,837.462800154437,14.67,-0.0893856,0.0113586,0.12638985519077306,24969.5300811938,34989.6269178034,34656.5037421903,29034.0875752636,25122.7148218384,24957.5755644109,191110.81702883,65168.258439659,78608.9161752588,21099.6266965863,12288.1157907604,11571.2523825417,-0.2581301263272952,1.8234949231804767,2.0816250495077715,-1.0734186943403583
2170,MGDG (FA1:OPDA; FA2: OPDA),C45H70O12,MGDG/oxylipin,847.482867369666,15.30975,-0.121176,0.0275995,0.031636640938335216,49929.237128115,59848.312096449,60015.6468355153,43105.9536829649,45350.9845637717,45826.1971096187,313570.094295795,99326.7919430115,129159.45498582,43469.7820807145,25000.1808312957,26539.9076023798,-0.33849378010523745,1.674646658751226,2.0131404388564635,-0.8376092782507496
1943,"MGDG(FA1: 323,225; FA2: 263,166)",C44H70O13,MGDG/oxylipin,805.471275836809,15.1655166666667,-0.13581,0.0737176,0.14879592053881258,43404.7793799397,72610.468411843,66326.6611566162,50651.5786305378,49436.5376917874,45231.7733536932,367733.957338875,131225.028844929,201293.341811213,34516.4805380049,19493.4742145137,16967.5421122668,-0.3274079618844603,1.9412111349624102,2.2686190968468707,-1.361175341896524
1444,"MGDG(FA1: OPDA; FA2: 263,166)",C43H66O12,,819.451869930777,14.67,-0.250407,-0.0242753,0.04901819520420316,111970.867525826,158768.266864046,168759.683006325,108675.470563228,103068.331380232,85222.9536743654,1257095.81621178,389636.57210756,485332.461352762,122010.106509643,55461.0870572833,27517.7538696381,-0.5655531214368852,2.278312314083235,2.8438654355201205,-1.1003018927031532