PhytoHub: Showing entry for Limonin

Limonin

Identification

PhytoHub ID

PHUB000172

Name

Limonin

Systematic Name

Not Available

Synonyms

Citrolimonin
Dictamnolactone
Evodin
Obaculactone

CAS Number

Not Available

Average Mass

470.518

Monoisotopic Mass

470.194067926

Chemical Formula

C₂₆H₃₀O₈

IUPAC Name

(1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0^{2,7}.0^{2,10}.0^{14,16}.0^{14,20}]docosane-5,12,17-trione

InChI Key

KBDSLGBFQAGHBE-MSGMIQHVSA-N

InChI Identifier

InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1

SMILES

CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 7.99e-02 g/l
LogS (ALOGPS): -3.77
LogP (ALOGPS): 3.47
Hydrogen Acceptors: 5
Hydrogen Donors: 0
Rotatable Bond Count: 1
Polar Surface Area: 104.57000000000001
Refractivity: 114.7192
Polarizability: 47.913676024162086
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.8525572165882376
pKa (strongest acidic): 19.475883044026496
Number of Rings: 7
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 16226
PubChem: 179651
Chemistry Dashboard: DTXSID8045985
MetaboLights: MTBLC16226
FooDB (Compounds): FDB005049
PeakForestCompound: 000159

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Triterpenoids
Sub-class: Limonoids

Taxonomy as Metabolite

Metabolite Family: Terpenoid metabolites
Metabolite Class: Triterpenoid metabolites
Metabolite Sub-class: Limonoids (parent, host and microbial metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Limonin Glucoside	Terpenoids	Triterpenoids	Limonoids	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Prenol lipids
Super-class: Lipids and lipid-like molecules
Sub-class: Triterpenoids
Direct Parent Name: Limonoids
Alternative Parent Names: ["1,4-dioxepanes", "11-oxosteroids", "Carboxylic acid esters", "Delta valerolactones", "Dialkyl ethers", "Dicarboxylic acids and derivatives", "Epoxides", "Furans", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Ketones", "Naphthalenes", "Naphthopyrans", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Pyrans", "Steroid lactones", "Tetrahydrofurans"]
External Descriptor Annotations: ["Limonoids", "epoxide", "furans", "hexacyclic triterpenoid", "lactone", "limonoid", "organic heterohexacyclic compound"]
Substituent Names: ["1,4-dioxepane", "11-oxosteroid", "2-oxosteroid", "Aromatic heteropolycyclic compound", "Carbonyl group", "Carboxylic acid derivative", "Carboxylic acid ester", "Delta valerolactone", "Delta_valerolactone", "Dialkyl ether", "Dicarboxylic acid or derivatives", "Dioxepane", "Ether", "Furan", "Heteroaromatic compound", "Hydrocarbon derivative", "Ketone", "Lactone", "Limonoid skeleton", "Naphthalene", "Naphthopyran", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Oxirane", "Oxosteroid", "Pyran", "Steroid", "Steroid lactone", "Tetrahydrofuran"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(55.017528,0.00574218);(57.033188,0.12700618);(57.974297,0.03531459);(59.012435,0.31422737);(60.015744,0.0027491);(61.986955,0.88885926);(63.961062,0.09254738);(63.9912,0.00225732);(67.017539,0.07328956);(68.994484,0.0038142);(68.996793,0.01770862);(69.033206,0.03175347);(71.012455,0.04537563);(71.048846,0.0368335);(72.991737,0.0329374);(73.028093,0.00597612);(75.007373,0.00552147);(78.957685,0.02110326);(78.982063,0.00238175);(78.984542,0.20096459);(79.05394,0.03543181);(79.955973,0.06858622);(80.963823,0.03094553);(80.980288,0.00549729);(81.033167,0.01998132);(83.012422,0.01593451);(83.048845,0.0717422);(85.028104,0.01343068);(85.064479,0.00178922);(87.007357,0.01559374);(89.023025,0.03370491);(89.041442,0.00263284);(89.924333,0.00533808);(90.932135,0.01136734);(91.053917,0.02941513);(92.927595,0.0020726);(93.033191,0.0209844);(93.069547,0.00323953);(94.979446,0.51426951);(95.012491,0.05247421);(95.048869,0.04291489);(95.982796,0.00194846);(96.958738,0.30132873);(96.96216,0.00401046);(96.9752,0.02203662);(97.028094,0.02615206);(97.064498,0.01292688);(98.937803,0.00259209);(98.954497,0.00981193);(99.007404,0.06797548);(99.043718,0.00510977);(99.924407,0.05018455);(100.924518,0.00313529);(100.932244,0.10093945);(101.023092,0.00253822);(101.059436,0.00609684);(101.932411,0.00783738);(103.918844,0.01687352);(105.033232,0.00231463);(105.069547,0.00401435);(106.041036,0.01065443);(107.048888,0.13755558);(108.020327,0.00697491);(108.052273,0.00604658);(108.995182,0.00416586);(109.02809,0.02444606);(109.064602,0.04132275);(110.956629,0.01082743);(110.97438,0.01956643);(111.007398,0.01165369);(111.043811,0.07217847);(111.080215,0.0070314);(112.984215,0.00943139);(113.023118,0.00574116);(113.059442,0.00595387);(113.924964,0.00408301);(114.932717,0.00538052);(115.919375,0.14593069);(116.919887,0.01368028);(116.927281,0.17162527);(117.035102,0.01344771);(117.927409,0.01580999);(118.92562,0.00209881);(119.048909,0.0289588);(119.085254,0.01446876);(121.028172,0.02421704);(121.064565,0.06534869);(122.035998,0.00771515);(122.068052,0.00163594);(123.043843,0.08323506);(123.080293,0.02813409);(124.047184,0.00157818);(124.990118,0.01382534);(125.023061,0.00450502);(125.059583,0.01341099);(125.095819,0.00334529);(127.075147,0.00220328);(129.054451,0.02230375);(130.942935,0.0694865);(131.049063,0.00317961);(131.085426,0.0043702);(131.943066,0.00459152);(133.06468,0.03877871);(133.101003,0.00318506);(133.990537,0.00690073);(134.036113,0.00364026);(135.04392,0.02563835);(135.080297,0.07188589);(136.015189,0.00232148);(136.051876,0.00186693);(136.083755,0.00237477);(137.023241,0.02784071);(137.059624,0.03603614);(137.095959,0.14595755);(138.099319,0.01075571);(139.075278,0.00544824);(141.015659,0.00793979);(141.090894,0.00633468);(142.979603,0.01046151);(143.085483,0.002664);(144.056922,0.00160416);(145.02823,0.00412297);(145.064739,0.06244436);(145.10104,0.00321387);(146.964808,0.00669901);(147.043965,0.02076487);(147.080363,0.10531856);(148.051933,0.0061124);(148.083755,0.00690781);(149.008391,0.00160443);(149.023145,0.00438674);(149.059717,0.02234174);(149.096045,0.02454072);(150.067532,0.00174044);(151.038911,0.00813636);(151.075422,0.00266082);(151.111723,0.00361582);(152.916431,0.00411176);(152.994715,0.01563871);(153.054628,0.00217043);(153.091058,0.00348646);(155.085454,0.00240012);(157.064875,0.01450302);(157.101193,0.00526573);(158.938137,0.01102214);(159.044172,0.00220555);(159.08044,0.05707725);(160.051972,0.00418222);(161.023349,0.00945329);(161.059668,0.0231834);(161.096019,0.03239743);(162.892257,0.00240582);(163.038916,0.00996502);(163.075394,0.04036751);(165.054758,0.00413207);(165.091,0.02908746);(168.909949,0.00211428);(169.101123,0.00336609);(171.080514,0.03507771);(171.101709,0.00338109);(171.116826,0.00509345);(171.982593,0.01150299);(172.052233,0.00160959);(173.059838,0.02036172);(173.096135,0.06297093);(173.117248,0.00209448);(174.067665,0.00453576);(174.099428,0.00254794);(174.862888,0.0042031);(174.991491,0.02180442);(175.039152,0.00183927);(175.075442,0.05957463);(175.111887,0.0232079);(177.054753,0.00214759);(177.091152,0.03116845);(179.034263,0.00308675);(179.070328,0.00217687);(179.881741,0.00217018);(179.95753,0.00240415);(181.049704,0.00464307);(181.086026,0.00473102);(183.011679,0.00244991);(183.080512,0.01793525);(183.116837,0.0026379);(184.000766,0.03526225);(184.088405,0.0027989);(184.504067,0.01407481);(185.059974,0.00712519);(185.096246,0.02958292);(185.132781,0.00411083);(186.067833,0.00226731);(187.075605,0.05103763);(187.111846,0.02734723);(188.083254,0.00242366);(189.054743,0.01026016);(189.091136,0.025521);(189.127486,0.02929913);(189.850056,0.00217484);(189.978802,0.00460157);(191.034177,0.01079493);(191.070326,0.00653444);(191.106973,0.00248095);(193.099516,0.00371933);(194.905296,0.00161363);(194.927166,0.0270339);(195.080568,0.00280429);(196.08827,0.00231081);(197.096365,0.02844382);(197.132994,0.0026593);(197.901641,0.005316);(198.067708,0.0063802);(198.091366,0.0037212);(198.103189,0.00189855);(199.075698,0.01965292);(199.111975,0.28492286);(199.850265,0.00998808);(199.876088,0.00176732);(200.083191,0.00500425);(200.115369,0.04222656);(200.849553,0.00153489);(201.054942,0.00870949);(201.091285,0.08416792);(201.127645,0.01891675);(201.95674,0.00345351);(202.095136,0.00534688);(203.070711,0.03747709);(203.106915,0.01914954);(205.08633,0.01213856);(205.122829,0.00504055);(207.011407,0.00831031);(207.068012,0.00187944);(207.101774,0.00699002);(207.117254,0.00257881);(209.096434,0.01841918);(209.132697,0.00445235);(209.950995,0.00775708);(211.075741,0.00573634);(211.112089,0.02677976);(212.925527,0.00657831);(212.950128,0.00396121);(213.011377,0.08117501);(213.091275,0.02982001);(213.127671,0.017365);(213.512898,0.01991401);(214.009927,0.00209598);(214.757876,0.01233141);(214.766944,0.01432256);(214.781537,0.01631102);(214.898007,0.00268171);(215.011381,0.00906009);(215.070566,0.00644928);(215.107017,0.01744837);(215.143399,0.0235535);(216.0114,0.02150165);(216.262176,0.00920044);(216.511816,0.00483135);(216.611226,0.00186181);(217.00228,0.14997408);(217.086111,0.00697255);(217.122552,0.02375055);(218.005841,0.00869968);(219.06576,0.00783699);(219.101821,0.00215182);(219.97686,0.01092358);(221.084681,0.00940518);(221.096271,0.01222355);(223.027677,0.02068999);(223.075831,0.00454352);(223.11227,0.01477641);(223.148604,0.00172299);(224.08371,0.00187801);(225.006994,0.05089296);(225.091626,0.07357644);(225.127936,0.04554978);(226.007055,0.00338599);(226.095104,0.00737094);(226.131276,0.00384707);(227.004194,0.00192755);(227.0707,0.0067413);(227.107192,0.01972902);(227.143649,0.20171926);(227.200988,0.00266261);(228.146958,0.03356492);(228.920227,0.00324965);(229.087037,0.02173687);(229.122925,1.0);(229.923059,0.03122408);(230.126273,0.16143842);(230.894594,0.02202152);(231.102295,0.03695644);(231.128054,0.00775543);(231.138914,0.01066008);(233.081579,0.00212859);(233.096275,0.00374104);(234.063854,0.0086094);(235.100207,0.00911853);(235.112415,0.02497444);(236.11791,0.00219817);(237.091569,0.00616372);(237.127746,0.02216747);(238.098938,0.00395823);(239.107143,0.00906093);(239.14364,0.01295392);(241.071962,0.07137217);(241.085569,0.00900465);(241.122868,0.00885552);(241.159407,0.005623);(241.57336,0.01646426);(242.070527,0.00210084);(242.869016,0.00166058);(243.065716,0.01116753);(243.102153,0.05607761);(243.138559,0.04586048);(244.105806,0.00433079);(244.141856,0.00459994);(244.898021,0.00231469);(245.081451,0.00370308);(245.91821,0.00469008);(247.072187,0.00523405);(247.112545,0.00338144);(248.079577,0.29663863);(248.581245,0.08324567);(249.07851,0.02917836);(249.092043,0.03858229);(249.113147,0.01913504);(249.12776,0.02923076);(249.579999,0.00356012);(250.097508,0.00833019);(250.132114,0.00163436);(251.107203,0.00985684);(251.143743,0.01791856);(253.087264,0.00172649);(253.123043,0.11807315);(253.159208,0.00178106);(254.126593,0.02048291);(254.856036,0.00267436);(255.065819,0.00173636);(255.087918,0.01947368);(255.101709,0.0059052);(255.138995,0.00480272);(255.175277,0.024339);(255.232673,0.06862392);(255.58917,0.00229734);(256.110063,0.00219989);(256.236022,0.00767426);(257.117964,0.02461967);(257.154336,0.01250109);(259.097675,0.03715314);(259.111512,0.00577528);(260.892416,0.00191956);(261.091812,0.00325896);(261.12825,0.00539495);(261.699167,0.00407906);(261.895537,0.0137529);(262.099537,0.00477696);(263.106991,0.00329704);(263.143878,0.00513791);(265.086757,0.00171989);(265.1234,0.02500739);(265.160381,0.00343036);(267.102588,0.00444509);(267.1388,0.00727631);(267.175263,0.00600714);(269.118375,0.01961314);(269.154379,0.00496499);(269.248779,0.00187506);(270.040709,0.01187627);(271.133917,0.04282748);(271.170475,0.0061286);(272.137275,0.00390698);(275.107743,0.01789475);(275.144529,0.0017407);(276.918778,0.00761226);(277.086792,0.00446524);(277.123298,0.05967921);(277.159262,0.00721324);(278.130926,0.49308237);(279.102809,0.00258323);(279.134363,0.10417216);(280.109755,0.0017489);(280.137591,0.00749419);(281.117993,0.00621186);(281.154489,0.00611655);(281.248273,0.00737988);(282.995207,0.0051883);(283.095549,0.04290023);(283.111212,0.06569421);(283.134043,0.01748379);(283.170083,0.01490162);(283.264086,0.24693165);(284.099944,0.00202981);(284.114398,0.00675361);(284.267246,0.04706554);(285.06377,0.05009029);(285.149376,0.00259273);(285.18578,0.00179119);(286.068709,0.00430724);(289.123461,0.00745458);(289.143342,0.00159849);(290.130766,0.00863289);(293.118417,0.02941008);(293.154649,0.03129565);(294.122233,0.00318653);(294.158733,0.00234059);(295.097983,0.00218904);(295.133745,0.09559068);(295.170169,0.0021513);(296.137357,0.0172344);(297.152448,0.09821274);(298.120542,0.00222283);(298.15529,0.01711677);(299.164909,0.00847063);(300.087414,0.00727414);(301.180688,0.0303406);(302.184046,0.0018888);(303.102523,0.00567503);(303.139152,0.0022951);(305.11838,0.00680098);(305.154595,0.0240356);(306.126006,0.19631842);(307.130248,0.05104362);(308.136233,0.00168147);(309.150208,0.01417988);(311.168471,0.30009748);(311.294896,0.00164248);(312.171499,0.0544798);(313.144247,0.02018467);(313.163351,0.00570582);(321.113022,0.25467841);(321.147586,0.02916414);(322.116447,0.05461883);(322.151704,0.00434634);(323.165727,0.02551848);(324.168242,0.00153273);(325.184155,0.26137702);(326.187697,0.05640915);(327.179511,0.01002063);(329.175527,0.02518659);(331.134035,0.00671489);(333.113198,0.00860898);(333.186607,0.00157574);(334.12048,0.01971473);(335.127672,0.00772284);(335.165093,0.00275693);(337.144516,0.04332123);(337.181269,0.00203468);(338.150387,0.01767538);(339.123423,0.01688911);(339.19958,0.11498139);(340.202927,0.02147385);(349.144663,0.03936743);(350.148561,0.00636233);(351.196414,0.01628149);(353.176215,0.03443895);(354.178938,0.00308877);(355.155442,0.00175796);(356.222818,0.00175);(357.01451,0.00237121);(363.159999,0.00423482);(363.196672,0.02180563);(364.19966,0.00198532);(365.17574,0.01247581);(367.19125,0.0154391);(368.008554,0.00275977);(369.206842,0.02259106);(377.175591,0.00823845);(381.206922,0.09882137);(382.210424,0.02397576);(383.031588,0.00365301);(384.001187,0.00172829);(384.157366,0.00825571);(388.21371,0.00186201);(389.176135,0.00517654);(391.148387,0.00655116);(395.186021,0.01645431);(397.165028,0.00538879);(397.239098,0.00329242);(407.185857,0.01532787);(409.161627,0.00489433);(419.179441,0.00166522);(449.01321,0.01673066);(451.325143,0.00619002);(452.004705,0.00242234);(453.289486,0.00271886);(455.269524,0.01280311);(455.352752,0.03091);(456.356415,0.00639067);(457.187129,0.01813289);(459.326884,0.06732701);(460.33014,0.02060212);(461.335207,0.0015439);(465.30419,0.03049816);(465.33952,0.00291486);(466.307472,0.00729934);(469.186433,0.12750768);(469.283783,0.04572787);(470.190059,0.03698192);(470.2874,0.00816099);(471.193114,0.00296517);(473.282267,0.09359026)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(55.054998,0.02380417);(56.965562,0.02279793);(57.070628,0.77958633);(58.065886,0.01914592);(58.07396,0.03637518);(59.049902,0.02140493);(59.061135,0.10441991);(59.990958,0.0169466);(60.045127,0.00816072);(61.011379,0.55810439);(62.019213,0.27059953);(63.007167,0.02052869);(63.998456,0.02119404);(67.05491,0.04080097);(69.070573,0.05807454);(70.06582,0.01948452);(71.049841,0.01474713);(71.086206,0.10007536);(72.937805,0.01913441);(73.065485,0.01673773);(79.021845,0.75898416);(79.054844,0.01027927);(80.02523,0.01191865);(81.017608,0.02959703);(81.034116,0.01549403);(81.070478,0.0433671);(83.086129,0.02999777);(85.029001,0.00946323);(85.10175,0.05781048);(86.09699,0.01541871);(87.044616,0.03257138);(89.060229,0.20293535);(90.948242,0.022216);(91.05475,0.06538381);(93.070367,0.01972987);(95.049645,0.01978862);(95.086001,0.05788477);(97.101656,0.01814977);(98.975762,0.04025385);(101.003569,0.02888724);(103.039422,0.00956706);(104.070989,0.01939021);(105.070293,0.03815315);(107.085909,0.01655453);(109.101493,0.03166198);(116.005555,0.02556542);(116.053121,0.08015389);(116.986143,0.04237099);(119.085807,0.03153195);(121.028672,0.01093034);(121.065006,0.01704688);(121.101363,0.01705969);(122.081414,0.06076574);(123.116977,0.01170293);(128.143386,0.01407434);(130.065195,0.07868259);(131.085641,0.01027758);(133.064997,0.00814038);(133.085947,0.06909589);(133.101243,0.02486359);(134.956155,0.15889842);(134.978797,0.07136021);(134.996558,0.03454322);(136.957979,0.00832074);(136.974376,0.02706917);(137.001744,0.01291767);(137.059767,0.00970199);(138.032393,0.02385944);(140.143356,0.0231192);(145.064778,0.0093441);(145.10133,0.00871347);(146.006967,0.0272576);(147.044029,0.0362927);(147.116772,0.52885828);(148.120077,0.06149311);(148.955892,0.01680521);(148.971818,0.08657032);(150.951034,0.33737266);(152.952098,0.02044286);(152.96662,0.09782876);(152.989361,0.07714292);(153.959378,0.02890604);(154.946941,0.00872331);(154.968774,0.00981243);(154.98499,0.05381711);(155.954703,0.00905696);(157.989931,0.01265476);(158.995231,0.02373677);(160.045476,0.0214411);(160.990108,0.00808269);(161.059606,0.02303249);(161.132458,0.04812697);(162.951421,0.01213394);(164.966803,0.01234786);(164.987893,0.03684162);(166.982824,0.03191181);(168.961601,0.13312385);(170.026291,0.01808331);(170.060043,0.00867463);(170.956413,0.01330989);(172.005557,0.01887591);(172.115362,0.08851293);(173.010726,0.03959262);(174.990008,0.03386975);(175.005922,0.01317648);(176.967271,0.03252181);(176.988638,0.09311658);(177.00562,0.03251917);(177.054764,0.00832206);(178.983514,0.02239521);(179.002755,0.02423514);(180.046956,0.01609313);(181.051473,0.00957518);(182.058765,0.01241058);(182.977536,0.01501414);(184.078211,0.02474876);(185.010946,0.01926334);(185.961504,0.07961824);(186.927863,0.01222756);(187.026899,0.02593708);(188.966994,0.00821113);(189.00571,0.06198616);(189.054746,0.01384998);(190.966204,0.01982725);(191.00173,0.03429985);(191.021478,0.01271959);(192.961601,0.42852853);(193.964257,0.01529289);(194.957989,0.01224183);(194.977672,0.00845242);(194.999856,0.08396972);(195.0676,0.00861038);(197.974572,0.00849575);(199.026566,0.0178413);(200.073198,0.04188203);(201.021468,0.008168);(201.043023,0.00988712);(202.088666,0.00905321);(202.967655,0.02270177);(203.021682,0.03712671);(203.03422,0.01079802);(204.962173,0.48096624);(205.016677,0.01673404);(205.962561,0.05768439);(205.987484,0.00959603);(206.926429,0.02917293);(206.958782,0.02276797);(206.977821,0.10867893);(206.988523,0.0171685);(207.053952,0.01429045);(207.978138,0.00908117);(208.977,0.02779208);(209.083163,0.00920631);(210.972131,0.25611706);(211.974298,0.01021395);(212.933604,0.01819177);(212.972726,0.02500923);(212.992937,0.01771307);(213.042406,0.01012356);(213.970669,0.00808746);(214.746015,0.02299487);(214.758224,0.01520615);(214.969988,0.01221735);(214.988459,0.01875863);(215.03669,0.00938843);(215.058937,0.01012128);(215.127848,0.01017859);(219.174405,0.01040779);(222.898762,0.01090514);(223.928945,0.01578531);(223.962793,0.01307368);(224.988155,0.00874435);(225.042973,0.01291796);(229.052124,0.01277646);(229.07474,0.02625191);(229.141368,0.01051261);(229.896004,0.06114383);(230.926299,0.04334339);(231.031509,0.01080531);(231.896496,0.00865053);(232.883469,0.01388395);(232.945393,0.03037435);(233.069661,0.02470262);(233.891754,0.01519091);(234.960152,0.01223456);(240.909102,0.01880794);(242.908725,0.01848451);(243.053189,0.010016);(243.067795,0.01735094);(245.047193,0.07839708);(245.068914,0.01166473);(246.941155,0.01680497);(247.906567,0.0394072);(247.928504,0.01473863);(248.936912,0.21569039);(249.042327,0.01044669);(249.907123,0.01817371);(249.939355,0.0121096);(250.893913,0.07058042);(250.932332,0.0490763);(250.956103,0.00996474);(251.935058,0.01776412);(252.893369,0.01051879);(252.932589,0.01148615);(257.083042,0.0139037);(258.899458,0.03513233);(259.06312,0.0100679);(260.937229,0.00901336);(261.042319,0.01971754);(262.092135,0.02763535);(262.894897,0.01030411);(262.913281,0.01245746);(262.952511,0.01439243);(263.094537,0.01290421);(263.90113,0.04546766);(264.909322,0.14885307);(265.11367,0.01969961);(265.912265,0.0094419);(265.939604,0.09748275);(265.991108,0.01472415);(266.909761,0.07893539);(266.928416,0.00885495);(266.946553,0.03785124);(267.067995,0.02168964);(267.907788,0.02628162);(268.907207,0.07230559);(268.943116,0.04081026);(269.082955,0.01399277);(269.945969,0.01134639);(270.899319,0.13330416);(271.099332,0.01697277);(271.900095,0.02748131);(272.05516,0.01196985);(272.90107,0.01493793);(272.935906,0.02412255);(273.906958,0.01757216);(274.893828,0.01221489);(274.915063,0.01110928);(274.975133,0.02765891);(275.057989,0.01390753);(275.901818,0.1794113);(276.909932,0.16053975);(277.095276,0.01009652);(277.918164,0.03772724);(278.947574,0.06873829);(279.897646,0.01185382);(279.916604,0.04213856);(280.905615,0.01218122);(281.083518,0.12683071);(281.896682,0.02271253);(281.911806,0.3025433);(282.086698,0.01499327);(282.901885,0.07811436);(282.919389,0.10227233);(284.881731,0.01396727);(284.900284,0.03081342);(284.919313,0.09196131);(285.078374,0.01455973);(285.91784,0.02582682);(286.894803,0.26862429);(286.915358,0.03735502);(287.895175,0.06944552);(288.879736,0.01447018);(288.894268,0.00861219);(288.908983,0.04417778);(290.909444,0.05161065);(290.947336,0.08873576);(291.896273,0.02217735);(291.910122,0.01405269);(292.908239,0.04341675);(293.932775,0.010169);(294.9029,0.02926436);(295.194541,0.06816645);(295.896013,0.03212796);(295.927984,0.10845575);(295.959507,0.01024393);(296.198161,0.009097);(296.930797,0.01079136);(296.957755,0.02379985);(298.110284,0.02705174);(298.917641,0.01759879);(299.093971,0.02094821);(300.910013,0.10809219);(301.005064,0.01423018);(301.909605,0.01383206);(304.889696,0.02873428);(304.905278,0.01019399);(304.925239,0.0129768);(306.919787,0.19618545);(307.135661,0.0480406);(307.155788,0.00936922);(307.922588,0.02682313);(308.880812,0.0089257);(308.920175,0.24914337);(308.956277,0.0114787);(309.151237,0.16699423);(309.172331,0.0157245);(309.918425,0.17655655);(309.945212,0.02117163);(310.153759,0.03091815);(310.917757,0.17863161);(310.940828,0.00872491);(311.16711,0.13584083);(311.919191,0.02818686);(312.16987,0.0217546);(312.911539,0.05210094);(313.204963,0.15976853);(313.915857,0.01793555);(314.20821,0.02673058);(314.912268,0.03726456);(315.162401,0.0092611);(316.120578,0.02283771);(316.906937,0.02586616);(316.925835,0.02437011);(318.920332,0.22532549);(319.925652,0.06092648);(320.918568,0.02266466);(320.956554,0.02333534);(321.210444,0.01071323);(321.965316,0.00804895);(322.914713,0.14705939);(323.22582,0.06593664);(323.916394,0.01037057);(324.229319,0.01179273);(324.930829,0.03079214);(325.146429,0.01141897);(326.891812,0.03936854);(326.913661,0.01988136);(326.931351,0.06470797);(327.161597,0.10157945);(327.182859,0.03491974);(327.219161,0.00847493);(327.929537,0.02436136);(328.164011,0.01378637);(328.182857,0.01044742);(328.905472,0.0277753);(328.926679,0.06403071);(329.177126,0.39817868);(329.92924,0.01354566);(330.180333,0.07827753);(330.891415,0.0134968);(330.920809,0.34619932);(331.136477,0.02405018);(331.179272,0.01043693);(331.215128,0.0547236);(331.921845,0.1015039);(332.853411,0.01021531);(332.938159,0.06578868);(333.151102,0.04347182);(333.17353,0.02792957);(333.938258,0.01839224);(335.16705,0.0723439);(335.188034,0.01494756);(335.943729,0.00943514);(336.170267,0.01137995);(336.839079,0.03013084);(336.9302,0.05240215);(337.182364,0.18326999);(337.204531,0.04350151);(337.920213,0.02908665);(337.939675,0.09637751);(338.185422,0.02696989);(338.940025,0.01038989);(339.198372,0.16625713);(339.220128,0.01586429);(339.939619,0.01188241);(340.048782,0.00889267);(340.201485,0.01845414);(341.236206,0.12219018);(342.239542,0.0217182);(342.99814,0.05613956);(343.193573,0.02133254);(344.043554,0.00949561);(344.923525,0.00941401);(346.092561,0.01454191);(346.884983,0.02518608);(347.187781,0.15275028);(348.191204,0.03027291);(348.952437,0.05014907);(349.146369,0.04097989);(349.958887,0.01713786);(350.149443,0.00910106);(350.863552,0.02044851);(350.946891,0.51004657);(351.160994,0.01761146);(351.183899,0.01461524);(351.900036,0.02585319);(351.947814,0.14501735);(352.946516,0.03952859);(353.177041,0.01036773);(353.199049,0.01025168);(353.841519,0.02098686);(355.192701,0.12062748);(355.214458,0.05104132);(355.931677,0.06304012);(356.194867,0.01468375);(357.208274,0.44759333);(358.059971,0.053955);(358.211314,0.06439862);(358.843603,0.06969005);(359.246479,0.02263091);(360.092875,0.01342293);(360.838703,0.29437105);(361.007934,0.02551137);(361.046771,0.01502009);(361.840842,0.04002639);(362.054661,0.02764093);(362.876923,0.01654324);(363.010964,0.03939727);(364.897355,0.0137263);(364.962585,0.03721057);(365.9636,0.00927537);(373.135434,0.01908953);(374.032542,0.01400942);(375.165001,0.0159621);(375.21894,0.14239588);(375.967052,0.01975409);(376.069955,0.11004853);(376.222134,0.01958422);(376.854413,0.01122322);(377.841496,0.01142752);(378.849482,0.07026173);(383.154511,0.00807295);(383.210498,0.01422445);(385.995698,0.00908732);(387.15168,0.01774435);(387.184947,0.05939894);(388.187443,0.01068407);(389.180388,0.92842518);(390.183704,0.21332746);(391.146371,0.02988389);(391.179993,0.07675161);(392.180334,0.02041459);(392.939514,0.03300364);(393.176637,0.01539652);(393.940611,0.00924707);(394.080665,0.00843428);(394.844441,0.06036836);(397.171755,0.01009088);(399.216376,0.02090079);(399.718034,0.01027696);(400.011388,0.03709697);(401.166798,0.02182265);(403.196421,0.02885181);(403.880062,0.00951377);(405.015166,0.01976516);(405.072728,0.02734708);(405.161893,0.02808442);(406.077239,0.01295743);(406.844435,0.02116803);(407.190933,0.10241026);(408.193638,0.02076128);(408.860548,0.01872225);(409.001133,0.01638649);(409.697539,0.03753729);(410.198492,0.01764238);(410.949982,0.10983249);(411.951418,0.03109812);(412.949136,0.01310114);(415.034996,0.04102304);(415.129248,0.018503);(415.183186,0.02185247);(415.216663,0.06903631);(416.218795,0.01721188);(417.211733,1.0);(417.856404,0.02126381);(418.022337,0.00938412);(418.214727,0.17303564);(419.073127,0.01330146);(419.17817,0.02408714);(419.852447,0.11103764);(420.096902,0.03167869);(420.855427,0.01683666);(425.267535,0.00834689);(433.139355,0.02916127);(433.19297,0.00860465);(435.222177,0.06980648);(437.862773,0.02379677);(443.160376,0.00997833);(447.154204,0.01245891);(447.29366,0.01180505);(447.346861,0.0157155);(449.288831,0.02898195);(451.149437,0.01865087);(457.349601,0.05277262);(458.353075,0.01017212);(459.132634,0.01338129);(459.32835,0.0214163);(461.169599,0.01150311);(463.126427,0.0176128);(463.305227,0.04866733);(463.811983,0.00839324);(464.307999,0.00893026);(465.163205,0.00886513);(469.155935,0.01690509);(469.386164,0.04382178);(470.389829,0.00947659);(471.364485,0.03320415);(473.344595,0.09881143);(474.348571,0.02459344)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.610179,0.00061406);(52.173628,0.00063567);(52.891692,0.00063214);(53.56828,0.00060711);(55.017532,0.01029157);(56.230956,0.00071793);(57.033187,0.12524642);(57.974297,0.0393238);(59.010794,0.00448434);(59.012432,0.39721);(59.815224,0.0006172);(60.015804,0.0016362);(61.373084,0.00066855);(61.978111,0.00074575);(61.986952,1.0);(63.961051,0.18475702);(63.991325,0.00120429);(64.762444,0.00065767);(65.038293,0.00152183);(65.506453,0.0006398);(65.956763,0.00069337);(66.372279,0.00066567);(67.017532,0.10611428);(68.994432,0.00567839);(68.996815,0.01725587);(69.033208,0.04522625);(69.133608,0.00058112);(69.322433,0.00068316);(69.850188,0.00070288);(71.012445,0.04764382);(71.048833,0.03822653);(72.729695,0.00063506);(72.991772,0.02769857);(73.028105,0.00547567);(75.00737,0.00088983);(78.957703,0.03387934);(78.984547,0.18849256);(79.053925,0.03897351);(79.955978,0.20466908);(80.963824,0.05057735);(80.980189,0.00067703);(81.03318,0.03414899);(81.951729,0.00345621);(83.012444,0.0085703);(83.048856,0.08925854);(84.052297,0.0006588);(85.028168,0.00606001);(87.007364,0.00891703);(87.04363,0.00074451);(89.023078,0.02574296);(89.025878,0.00075822);(89.041314,0.00084877);(89.92435,0.0108575);(90.932183,0.01663823);(91.053943,0.03026273);(91.331419,0.00060885);(91.91994,0.00088213);(92.927625,0.00204861);(93.033218,0.03788949);(93.069617,0.00221112);(94.979445,0.60213108);(95.012462,0.0490145);(95.048864,0.0561742);(95.950925,0.00391444);(95.982817,0.00080611);(96.958732,0.51766567);(96.975246,0.01939343);(97.02814,0.0193556);(97.064523,0.01428327);(97.929894,0.00179203);(98.023512,0.00069517);(98.937827,0.00194758);(98.954496,0.01558022);(99.007361,0.05045588);(99.043854,0.00121988);(99.921225,0.00090733);(99.924433,0.10024187);(100.057465,0.00061794);(100.924572,0.00669238);(100.932262,0.12308038);(101.059474,0.00415034);(101.932401,0.00783358);(102.930562,0.00062935);(103.918816,0.01075892);(105.069703,0.00976117);(106.041071,0.01241517);(106.133954,0.00069556);(107.048859,0.1676503);(108.020348,0.01338108);(108.052274,0.00389519);(108.994914,0.00134198);(109.028151,0.02326476);(109.064586,0.06453639);(110.956596,0.00548343);(110.974411,0.0190879);(111.007404,0.00643858);(111.039757,0.00061097);(111.043814,0.06879027);(111.080208,0.0045074);(112.898999,0.00058889);(112.984532,0.00090824);(113.023016,0.00174831);(113.924916,0.004947);(114.932784,0.00558684);(115.038003,0.00065859);(115.919368,0.19209931);(116.919989,0.01539101);(116.927204,0.18695207);(117.035098,0.00528181);(117.069534,0.00260414);(117.917883,0.00274257);(117.927375,0.01769434);(118.091221,0.00062582);(118.925606,0.0014452);(119.048926,0.04709275);(119.085313,0.01121122);(119.922501,0.00110272);(120.056754,0.00248059);(121.028214,0.03472723);(121.064557,0.0903796);(122.035997,0.01159655);(122.068041,0.0017798);(122.974414,0.00724453);(123.039251,0.00067951);(123.043817,0.07475246);(123.080263,0.02335353);(124.570757,0.00064178);(124.99015,0.00885521);(125.023089,0.00083709);(125.059532,0.00643362);(125.095893,0.00209228);(125.812228,0.00062484);(126.928601,0.00134123);(127.405606,0.00059151);(128.034476,0.00068279);(129.054457,0.0050871);(129.069716,0.00147055);(130.04136,0.00094549);(130.94285,0.03122385);(131.049098,0.00775265);(131.085461,0.00584849);(132.056853,0.00091473);(133.027886,0.00068372);(133.06468,0.06152845);(133.100939,0.00211903);(133.990643,0.00177732);(134.036018,0.00912956);(135.043929,0.03872188);(135.080314,0.09527444);(136.083576,0.00076516);(137.023257,0.01807026);(137.059658,0.01978556);(137.095972,0.07109018);(138.062587,0.00064933);(139.038893,0.00101521);(139.075174,0.00059085);(141.091142,0.00165262);(141.935115,0.00222874);(142.943032,0.00163948);(142.979626,0.00270984);(143.0491,0.00193017);(143.08565,0.00328477);(144.056912,0.0034507);(145.028412,0.01539867);(145.064723,0.0954421);(145.101132,0.0018106);(146.06767,0.00264041);(146.07298,0.00120251);(147.044039,0.03634112);(147.080372,0.13636312);(148.051965,0.0077847);(148.083823,0.0029307);(149.008077,0.00199827);(149.059824,0.02784118);(149.096142,0.01921551);(150.814268,0.00064425);(151.03904,0.00377462);(151.075528,0.00181822);(151.111451,0.00197251);(152.91655,0.02540393);(152.994789,0.00830641);(153.054846,0.00095764);(154.946018,0.00113575);(155.08562,0.00222828);(156.056687,0.00130023);(157.064925,0.02411752);(157.101124,0.00471395);(158.07295,0.00194989);(158.938085,0.00799509);(159.044034,0.00298315);(159.080511,0.08240493);(160.051952,0.00921389);(160.084047,0.00211309);(161.023449,0.01245918);(161.059774,0.0347868);(161.096124,0.03457125);(162.067465,0.00075745);(162.892289,0.00152923);(163.038924,0.00370508);(163.07547,0.03617548);(164.894323,0.00072567);(165.090994,0.00763314);(165.80119,0.00064125);(165.955563,0.00065861);(166.026181,0.00265908);(167.90365,0.00316463);(168.575159,0.00069954);(168.909883,0.00251228);(169.064904,0.0060062);(169.101584,0.00326349);(170.003254,0.00082383);(170.072757,0.00227598);(170.566655,0.00061446);(170.905893,0.00065816);(171.044093,0.00370914);(171.073079,0.00061724);(171.080495,0.06717897);(171.116913,0.00225897);(171.982545,0.0151123);(172.052383,0.00256575);(172.632096,0.00059324);(173.059839,0.03804079);(173.096183,0.0650198);(174.031531,0.00108986);(174.067723,0.0092032);(174.099377,0.00102714);(174.862867,0.00366595);(174.991459,0.05177401);(175.039066,0.00200243);(175.075522,0.06900532);(175.111937,0.02367559);(176.719228,0.00062492);(176.993125,0.0084367);(177.018682,0.0009199);(177.091288,0.01244016);(179.034022,0.00153032);(179.881847,0.00250536);(181.030423,0.00897051);(181.050073,0.00199524);(181.086534,0.00062034);(181.101413,0.00195053);(183.011189,0.08240577);(183.080684,0.03239991);(183.11716,0.00116487);(184.000845,0.23158028);(184.019331,0.00234957);(184.052337,0.00232764);(184.088547,0.00770781);(184.503499,0.05393364);(184.998684,0.01036026);(185.006862,0.00192941);(185.059848,0.00910959);(185.096236,0.03850653);(185.132329,0.00129748);(185.891087,0.00065583);(186.067653,0.00520541);(187.039732,0.00189774);(187.075651,0.06068368);(187.111882,0.03374939);(188.083451,0.00117112);(189.055079,0.00488729);(189.091231,0.01123422);(189.127577,0.01190831);(189.850228,0.00212223);(189.978406,0.00144433);(191.008683,0.00344898);(191.034102,0.00924152);(191.070729,0.00200391);(193.100323,0.00164223);(194.927272,0.02411871);(195.080674,0.00610965);(196.088371,0.00124398);(197.027061,0.00608241);(197.060178,0.00254449);(197.096383,0.0522771);(197.901944,0.00812002);(198.035001,0.0007094);(198.067855,0.00295827);(198.102382,0.00075338);(199.075641,0.03451802);(199.101822,0.00096428);(199.111991,0.30686468);(199.85015,0.01202641);(199.875835,0.00641974);(200.083198,0.00137078);(200.115468,0.04321079);(200.499754,0.00598327);(200.849461,0.00086547);(200.858414,0.00074496);(201.055199,0.00475985);(201.0913,0.17275959);(201.12766,0.03520219);(202.094809,0.01455341);(203.070715,0.02382307);(203.107209,0.00528245);(205.087276,0.00075683);(205.122675,0.00162868);(205.159093,0.01807217);(205.285863,0.00065797);(207.011569,0.00564908);(207.081266,0.00071977);(207.101667,0.00283853);(208.975798,0.01557157);(209.096433,0.03463065);(209.95136,0.00116812);(210.068422,0.00265092);(210.102643,0.00110988);(211.075521,0.00251633);(211.112218,0.03946158);(213.011359,0.04855928);(213.091405,0.02041794);(213.12773,0.00944462);(213.513323,0.00622993);(214.098605,0.00222498);(214.675302,0.00058177);(214.767046,0.05144713);(214.898555,0.0020141);(215.011515,0.00212984);(215.070633,0.00119997);(215.107118,0.01030776);(215.143331,0.00649261);(216.011084,0.00298346);(216.261567,0.0013505);(217.002187,0.05648036);(217.086506,0.00235671);(217.122664,0.004238);(220.453381,0.00068918);(221.08476,0.00210886);(221.096698,0.01013868);(222.01699,0.00201694);(223.027942,0.02026154);(223.075998,0.00647288);(223.112218,0.02213371);(224.027562,0.00064336);(224.083371,0.00267582);(225.00706,0.03406994);(225.054784,0.00106653);(225.091567,0.13889657);(225.127873,0.03598703);(226.006899,0.00121998);(226.095397,0.01289065);(227.070751,0.00526117);(227.107315,0.01118335);(227.143578,0.06087795);(227.20106,0.00091105);(228.147061,0.00335323);(228.920257,0.00067279);(229.08671,0.01048155);(229.122922,0.51602099);(229.923103,0.01143692);(230.1151,0.00074068);(230.126234,0.08518712);(230.89475,0.03138991);(231.102266,0.01635692);(231.138888,0.0012552);(232.873942,0.00112171);(233.027752,0.00075454);(233.08266,0.00070687);(233.096643,0.01024543);(234.064089,0.00088007);(234.104222,0.00185275);(235.100193,0.00405127);(235.112414,0.04028785);(236.083994,0.00067276);(237.091797,0.01396939);(237.128072,0.00756885);(238.098622,0.00084716);(239.071778,0.00120058);(239.106908,0.00339331);(239.143696,0.0015316);(241.071862,0.03325945);(241.085324,0.0026603);(241.123368,0.00242813);(241.159526,0.00061381);(241.573644,0.00531009);(243.066261,0.00379601);(243.102223,0.03249604);(243.138646,0.01303973);(246.870253,0.00135247);(247.072279,0.00095437);(247.11265,0.00438661);(248.079566,0.15239098);(248.581318,0.03553959);(249.079078,0.01444008);(249.091733,0.20532052);(249.113855,0.00388015);(249.127927,0.02318981);(249.5796,0.00081495);(250.096766,0.04620262);(251.106919,0.01035602);(251.143683,0.00611191);(253.123089,0.05029152);(253.159161,0.00060741);(255.065354,0.00075109);(255.087775,0.00706134);(255.101942,0.00276168);(255.17527,0.00534264);(255.232629,0.05272985);(256.024189,0.00150544);(257.117987,0.00401654);(257.154412,0.00193954);(259.097212,0.03249626);(259.111755,0.00296344);(261.02774,0.00427982);(261.091627,0.0084039);(261.12861,0.00254514);(261.699205,0.00410487);(261.896291,0.00241863);(262.098857,0.00484259);(263.106869,0.00198362);(263.143795,0.00114475);(265.088289,0.00076004);(265.123037,0.0142539);(267.102535,0.00078891);(267.138924,0.00076531);(268.096197,0.00075976);(269.118752,0.00384502);(270.040544,0.04753749);(271.045707,0.00200207);(271.133191,0.00156726);(275.10769,0.0186332);(275.142817,0.00059221);(277.086922,0.01182465);(277.123327,0.04374027);(278.094326,0.00142878);(278.130875,0.35027295);(279.103359,0.00137664);(279.134328,0.07357701);(280.138404,0.00059238);(281.118208,0.00149259);(281.154282,0.00132458);(281.248394,0.00058854);(282.995561,0.00209307);(283.096312,0.00973314);(283.11104,0.07632357);(283.130702,0.00114777);(283.1337,0.00116713);(283.264006,0.15490658);(284.11397,0.00654511);(284.267734,0.02342786);(285.064206,0.03330417);(286.09459,0.00099372);(289.123356,0.00392031);(290.12964,0.00189136);(293.118226,0.01548408);(293.154182,0.00250314);(295.1338,0.04698375);(296.137854,0.00402413);(297.152663,0.08010416);(298.15595,0.00722785);(299.164702,0.00060482);(300.234204,0.00058045);(301.180649,0.00059978);(303.103336,0.00085622);(305.118213,0.00347861);(305.155294,0.00061144);(306.125777,0.01761153);(307.132895,0.00322561);(309.150302,0.00360518);(311.16854,0.28908964);(312.171517,0.0525765);(313.164565,0.0012917);(318.929058,0.00067608);(319.148183,0.00070308);(321.11281,0.15478976);(321.149228,0.00119303);(322.116741,0.02952997);(325.184159,0.25657623);(326.187655,0.05372401);(327.18138,0.00642812);(333.112846,0.00092301);(334.115177,0.0011228);(335.128261,0.00155418);(337.144466,0.01353616);(339.19982,0.10650996);(340.202887,0.01903131);(351.125219,0.00069627);(351.200114,0.00081122);(353.17629,0.00524384);(368.009243,0.004049);(381.176675,0.00071642);(381.206961,0.00634708);(382.211651,0.00065776);(384.108369,0.00075671);(384.157578,0.00222823);(384.918014,0.00059499);(385.052381,0.00090974);(387.072454,0.00059931);(391.147199,0.00101419);(449.013937,0.0034014);(451.325716,0.00347665);(452.005438,0.00066297);(455.269909,0.00066141);(455.353148,0.01780349);(457.251834,0.0007873);(459.326596,0.04709464);(460.330606,0.01402302);(465.303942,0.00248757);(469.284001,0.01420026);(473.281957,0.08512823)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.27106,0.00039927);(50.360399,0.00041962);(50.878352,0.0004263);(51.869023,0.00051091);(51.959168,0.00045684);(53.157192,0.00056721);(53.235135,0.00047842);(53.451925,0.00040999);(53.598134,0.0005308);(53.663486,0.00057335);(55.017532,0.01678331);(56.216911,0.00046618);(57.033192,0.07926515);(57.974301,0.03949298);(58.056677,0.00048951);(58.634529,0.00055705);(59.012436,0.35039789);(60.015749,0.00157845);(60.997193,0.00042821);(61.257514,0.00047459);(61.649414,0.00053805);(61.986954,1.0);(61.996175,0.00169193);(62.534417,0.00047618);(62.633233,0.00047922);(63.961053,0.31398537);(63.991224,0.00075146);(64.928655,0.00041714);(64.938809,0.00054543);(65.001857,0.00507969);(65.038278,0.01133304);(65.852969,0.00045989);(65.956812,0.00579621);(65.997155,0.00062263);(67.017522,0.10909138);(67.019423,0.00044019);(67.205147,0.00043642);(68.180585,0.00054979);(68.462078,0.000671);(68.994457,0.00824666);(68.996778,0.01789356);(69.033199,0.04181346);(69.421833,0.00041697);(71.012444,0.03438955);(71.048829,0.0126452);(71.670026,0.00054723);(71.768884,0.00053811);(72.386867,0.00050273);(72.743629,0.00049368);(72.900396,0.00055221);(72.99175,0.01735933);(73.028144,0.00076624);(73.594459,0.00049107);(73.713461,0.0005514);(73.889589,0.00048345);(74.557931,0.00046176);(74.989402,0.01345142);(76.567146,0.00043688);(76.889113,0.00057819);(77.035328,0.0004904);(78.957681,0.06313703);(78.984559,0.10668947);(79.053941,0.03243751);(79.340636,0.00042787);(79.95598,0.54586872);(80.025343,0.00063854);(80.532122,0.00052498);(80.666544,0.00042722);(80.678963,0.00041854);(80.955335,0.0006232);(80.963806,0.07003696);(81.033169,0.04665046);(81.265537,0.0005086);(81.813279,0.00048434);(81.951791,0.01952791);(82.042311,0.00043914);(83.012458,0.00635901);(83.028235,0.00047161);(83.048871,0.06009739);(84.0125,0.00073105);(85.028068,0.0015399);(85.064403,0.00085357);(86.307908,0.00046992);(87.007329,0.00290066);(88.239002,0.00053693);(89.023043,0.01408659);(89.891181,0.00054798);(89.924343,0.01846591);(90.135671,0.00050745);(90.388638,0.00041601);(90.922216,0.00165456);(90.932135,0.0180603);(91.05395,0.02823251);(91.919826,0.00248581);(91.929914,0.00075833);(92.049201,0.00106331);(92.487049,0.00043492);(92.927571,0.0021488);(92.988439,0.00058359);(93.000039,0.00850699);(93.033226,0.05583538);(93.069522,0.00317144);(93.971687,0.00040981);(94.374235,0.00059435);(94.979447,0.58342345);(95.01247,0.02549036);(95.048886,0.04540768);(95.611617,0.00060547);(95.950874,0.02436109);(95.97467,0.00045337);(95.982619,0.00040726);(96.958737,0.57855868);(96.975244,0.02026284);(97.028148,0.00616706);(97.064505,0.00445027);(97.929913,0.00592226);(98.208256,0.00043362);(98.937842,0.00082077);(98.954533,0.01921987);(99.00739,0.01576286);(99.924418,0.19421223);(100.924587,0.016504);(100.932233,0.10663287);(101.059514,0.00068396);(101.92288,0.00162561);(101.932365,0.00629316);(103.918839,0.00987073);(104.463756,0.00047631);(104.584646,0.00048559);(104.786876,0.00059729);(105.033387,0.00145083);(105.069638,0.01296905);(106.041031,0.01757227);(106.171271,0.00053776);(107.048864,0.10411265);(107.084644,0.00050097);(108.020329,0.03839809);(108.023969,0.0005579);(108.052363,0.00118458);(108.389107,0.0005235);(108.995011,0.00106245);(109.028194,0.01468959);(109.06455,0.04004201);(109.25056,0.00060902);(110.190726,0.00049459);(110.319899,0.00046951);(110.956659,0.00405433);(110.974467,0.0153188);(111.007272,0.00084563);(111.043762,0.02593353);(112.660221,0.00062573);(113.924961,0.00565259);(114.932762,0.00395689);(115.053989,0.00104818);(115.919366,0.21937326);(116.01222,0.00044255);(116.225718,0.00047441);(116.798035,0.00059474);(116.919861,0.0172827);(116.927177,0.17753251);(117.033317,0.00866763);(117.044447,0.00115996);(117.06976,0.00284844);(117.917992,0.0019579);(117.927424,0.01592441);(118.453884,0.00043712);(118.543839,0.00043839);(118.925551,0.00180218);(119.048914,0.06551639);(119.08539,0.00745734);(119.164025,0.00046573);(119.895478,0.00061909);(120.052279,0.00100472);(120.056768,0.0037981);(121.028176,0.03689755);(121.064542,0.05924108);(121.256837,0.00043734);(121.914168,0.00059469);(122.035979,0.00804132);(122.974607,0.00312085);(123.043874,0.0291313);(123.080265,0.00768263);(124.015214,0.00148728);(124.990141,0.00539189);(125.932275,0.00039999);(126.928895,0.00331264);(129.003032,0.00047963);(129.06971,0.01051594);(130.041117,0.00842831);(130.825568,0.00062556);(130.942517,0.00379201);(131.049078,0.02073292);(131.085421,0.0059243);(131.740246,0.0004448);(132.056829,0.00786563);(132.148581,0.00054043);(132.947917,0.00046486);(132.980623,0.00340765);(133.028415,0.00348296);(133.06469,0.05553614);(133.251923,0.00045687);(133.3807,0.00048518);(134.036024,0.0132321);(134.641182,0.00040766);(135.038879,0.00055717);(135.043945,0.0367681);(135.080289,0.06771777);(135.917541,0.00069581);(136.015555,0.00084316);(136.084003,0.00051977);(136.638526,0.00046723);(136.938825,0.000544);(137.023281,0.00570047);(137.059623,0.00488495);(137.095928,0.00237334);(138.366796,0.00055791);(139.210521,0.00056977);(139.687888,0.00047325);(141.069847,0.0012277);(142.923507,0.00087902);(143.049125,0.02517052);(143.085391,0.00509245);(144.056969,0.01243267);(144.088463,0.00046676);(145.028293,0.02268237);(145.06475,0.1078221);(145.101228,0.00053147);(146.067946,0.00101589);(147.044049,0.03568877);(147.08036,0.0727147);(148.0521,0.00518704);(149.001031,0.00045018);(149.008437,0.00810224);(149.022973,0.00247338);(149.059633,0.01264313);(149.096107,0.00215177);(150.030924,0.00086197);(150.937826,0.00051205);(150.987718,0.0009288);(151.039327,0.00044725);(152.019245,0.00227799);(152.894013,0.00273017);(152.916492,0.07297956);(153.769846,0.00049464);(154.946216,0.00151862);(155.0855,0.00621598);(155.474959,0.00067636);(155.987542,0.00063425);(156.057084,0.01589611);(156.550508,0.00052744);(156.894052,0.00094197);(157.064914,0.04905834);(157.101169,0.00172515);(158.036265,0.00383305);(159.044183,0.01457122);(159.080498,0.05268164);(159.116391,0.00092067);(159.892816,0.00121363);(160.052112,0.01349449);(160.891685,0.00097661);(161.023437,0.01306701);(161.059633,0.01916461);(161.095945,0.00767096);(161.703009,0.0004141);(161.892497,0.00045121);(162.892567,0.00337968);(163.038656,0.00116342);(163.075463,0.02082764);(163.111938,0.00238368);(164.894225,0.00051895);(166.026156,0.00106045);(166.909109,0.00135647);(167.084917,0.00044606);(167.903676,0.01736433);(168.769812,0.00042108);(168.909974,0.00115304);(168.948334,0.00049503);(169.065023,0.02931524);(169.101195,0.00260613);(169.881684,0.00040612);(169.907777,0.00058597);(170.003525,0.01522091);(170.073105,0.00246771);(170.889194,0.00098326);(171.044232,0.01513509);(171.080539,0.0985657);(171.982539,0.01449973);(172.05214,0.00203563);(172.083592,0.0029353);(172.885325,0.00363011);(173.059872,0.03472587);(173.096239,0.03568157);(174.863069,0.00046036);(174.991496,0.02742706);(175.038869,0.00042458);(175.075399,0.0439074);(175.111801,0.00516084);(176.992955,0.0282694);(177.018919,0.00054713);(177.090847,0.00065645);(179.034277,0.00193234);(179.882274,0.00044296);(181.030674,0.00093779);(181.065035,0.00355099);(181.101327,0.00208156);(181.906945,0.00125335);(182.07269,0.00415204);(183.011179,0.66464049);(183.044421,0.00344784);(183.080545,0.04728115);(183.116747,0.00068196);(184.00085,0.32879858);(184.014706,0.03026099);(184.019605,0.01987615);(184.05219,0.01490762);(184.088356,0.00712523);(184.502394,0.05551536);(184.998589,0.01656289);(185.006969,0.01570604);(185.023845,0.00095448);(185.059938,0.01669009);(185.096219,0.01564747);(185.500508,0.00088086);(185.563351,0.0005312);(186.067736,0.02372944);(186.805511,0.00046698);(187.039132,0.00265668);(187.075702,0.0154161);(187.111767,0.00139068);(189.018094,0.00044088);(189.053344,0.00055393);(189.127705,0.00750746);(189.850008,0.00225075);(191.008492,0.01058639);(191.034394,0.0057079);(192.881814,0.00052292);(193.665459,0.00043492);(194.072748,0.0024482);(194.927413,0.00408185);(195.080548,0.02212628);(196.088784,0.00097794);(196.88473,0.00048977);(196.93588,0.00043517);(197.027004,0.08517098);(197.06001,0.02300785);(197.096313,0.06505412);(197.781989,0.00049613);(197.855612,0.00058571);(197.901985,0.00340369);(198.032441,0.00202071);(198.068055,0.00046874);(198.100132,0.00098219);(199.039864,0.00071987);(199.075697,0.04195737);(199.112045,0.06702301);(199.850149,0.01571255);(199.87584,0.01666282);(200.082476,0.00042257);(200.114938,0.00122593);(200.850295,0.00269465);(201.091223,0.1316245);(201.127766,0.00722384);(202.094602,0.01031014);(203.070821,0.00147657);(203.16153,0.00051169);(204.501906,0.00048859);(205.159021,0.06932587);(206.003848,0.00187269);(206.162438,0.0064083);(207.011869,0.00246475);(207.080679,0.01146851);(208.08877,0.00070111);(208.975623,0.03684811);(208.990741,0.00044971);(209.059943,0.00738295);(209.096524,0.03028584);(209.628888,0.00058947);(210.067967,0.01548074);(211.0413,0.00344894);(211.075396,0.00658536);(211.112244,0.00771965);(213.055926,0.00114821);(213.091374,0.00469111);(214.899269,0.00127842);(214.913098,0.00047436);(215.845389,0.00046018);(215.870896,0.00275823);(216.009311,0.00113018);(219.080781,0.00224451);(219.542623,0.00040153);(220.019397,0.00266152);(220.087837,0.00045006);(220.867041,0.0003996);(221.096608,0.01432159);(221.154214,0.0006177);(221.687869,0.00714887);(222.017113,0.0014289);(222.103768,0.00039867);(223.027875,0.00298474);(223.075739,0.02269738);(223.112477,0.00635057);(224.083319,0.00309712);(224.495134,0.00048547);(225.007567,0.00041509);(225.056221,0.00393853);(225.091585,0.05659115);(226.061756,0.00076926);(226.095287,0.00149679);(227.021532,0.00049179);(227.070666,0.00058107);(227.106567,0.00062983);(227.144147,0.00044402);(229.122784,0.01427552);(229.783047,0.00045084);(230.023825,0.00050679);(230.894646,0.0119735);(233.027534,0.0010708);(233.096807,0.02119377);(234.02593,0.00043647);(234.068037,0.01860799);(234.100742,0.00046545);(235.075739,0.01003011);(235.112244,0.01696157);(236.082717,0.0004568);(237.091695,0.00874023);(239.07369,0.00852651);(242.18004,0.00057179);(245.09623,0.0004441);(245.212783,0.00050961);(247.112111,0.00281849);(248.082543,0.00159571);(248.708523,0.00061343);(249.091651,0.3080259);(249.128051,0.00295955);(250.095171,0.05851413);(250.368854,0.00046176);(251.106971,0.00181364);(253.001106,0.00062894);(253.089829,0.00078528);(254.855712,0.00219374);(255.016983,0.01913105);(255.231691,0.00111647);(256.0245,0.00534451);(257.412788,0.00059034);(261.091816,0.01273226);(261.128003,0.00058939);(262.098919,0.00055005);(263.107415,0.00547719);(265.088021,0.00050276);(267.07937,0.01301326);(268.086035,0.00045211);(268.813275,0.00119222);(268.943067,0.00296636);(270.040545,0.05535281);(271.044956,0.00374983);(273.316135,0.00055411);(275.107354,0.00311615);(277.087029,0.00738333);(277.123107,0.00490756);(278.130691,0.00540314);(283.110352,0.04609825);(283.264334,0.00181526);(283.80032,0.0005501);(284.113982,0.00173752);(287.038343,0.02168267);(288.040029,0.00046243);(288.935091,0.00049333);(289.0539,0.00270937);(291.139132,0.00041368);(297.152637,0.00673563);(299.036832,0.0004376);(300.077225,0.00148434);(303.435183,0.00048408);(308.721441,0.00061453);(310.120593,0.000477);(311.168704,0.04718875);(312.172279,0.00172466);(318.073249,0.00059608);(325.18424,0.03760871);(326.187639,0.00152426);(337.185151,0.00078621);(339.133105,0.00053915);(339.200116,0.00744797);(345.814824,0.00047366);(354.800183,0.00047666);(365.213812,0.00045722);(372.587225,0.00062358);(391.674028,0.00060803);(406.407449,0.0005908);(407.783277,0.00059559);(411.833635,0.00052526);(418.934579,0.00066818);(431.618313,0.00061573);(441.525497,0.000445);(441.947221,0.00046103);(457.250999,0.01929279);(458.079096,0.00066187);(458.255166,0.00400888);(459.327512,0.00041827);(473.282583,0.00085143)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(53.002996,0.00491825);(55.054975,0.03651209);(55.935144,0.01655469);(56.050211,0.00641278);(56.965516,0.10958825);(57.034222,0.00486529);(57.070621,0.60973057);(58.065865,0.02018972);(58.073985,0.02181466);(59.04987,0.0131328);(59.061116,0.06231306);(59.99098,0.0239386);(61.011355,1.0);(62.014777,0.01276433);(62.01919,0.3886303);(63.007135,0.03559509);(63.998422,0.024706);(64.014974,0.01091653);(67.054922,0.05262387);(69.034174,0.00591149);(69.070539,0.05808742);(70.065778,0.02095548);(70.958524,0.02092976);(71.049792,0.01289878);(71.086183,0.08026961);(72.937759,0.05714628);(73.065428,0.0069164);(74.976016,0.00533754);(79.021817,0.49512953);(79.054804,0.0174737);(80.025172,0.00630194);(81.017562,0.01737905);(81.034071,0.01468598);(81.070433,0.05460335);(83.049722,0.00491457);(83.086093,0.02299367);(84.960216,0.00477797);(85.101726,0.03178954);(86.096944,0.01263899);(87.044578,0.01759732);(88.968921,0.00859609);(89.06023,0.10562298);(89.940371,0.01524497);(90.9482,0.06367189);(91.054722,0.07181033);(91.057768,0.00636551);(92.986355,0.00716106);(93.070337,0.02457563);(95.013163,0.00576338);(95.049627,0.01445663);(95.086004,0.05258121);(97.10162,0.01034387);(98.975764,0.14359025);(101.003566,0.00560438);(104.071018,0.01141521);(105.070218,0.05670657);(107.085846,0.0191407);(107.950714,0.00710005);(108.958558,0.01061742);(109.101489,0.02360535);(116.005505,0.02879363);(116.053117,0.05884048);(116.963566,0.02016878);(116.986145,0.1408299);(117.070091,0.00780179);(118.942803,0.00548741);(118.947594,0.01075501);(119.085751,0.04401437);(120.940688,0.00581863);(121.028621,0.00753477);(121.064995,0.01158954);(121.101383,0.00961989);(122.081339,0.01989551);(125.961048,0.00483277);(126.984175,0.00483342);(128.963504,0.01843307);(130.065186,0.08207227);(130.979043,0.01711686);(131.000482,0.01442355);(131.068483,0.00492834);(131.085536,0.01336868);(132.093408,0.00522075);(132.960371,0.01282305);(133.064877,0.00812389);(133.085925,0.00678951);(133.101223,0.01586792);(134.956126,0.3444835);(134.97373,0.00685062);(134.978749,0.06757041);(134.996453,0.09205433);(135.080442,0.00537341);(136.952504,0.00674107);(136.957903,0.0234724);(136.974398,0.02144872);(137.011838,0.00643298);(137.059663,0.0062051);(138.032373,0.01632185);(140.143231,0.01070815);(142.979024,0.01205819);(143.000561,0.0091711);(144.958411,0.01570689);(144.994784,0.01077423);(145.016205,0.00845856);(145.064859,0.00967855);(145.101196,0.00745058);(146.974161,0.02565576);(147.043908,0.02229231);(147.080351,0.00574931);(147.116688,0.37712089);(148.12,0.04097188);(148.955763,0.02930411);(148.971741,0.19523951);(148.989494,0.01081218);(149.011944,0.00612357);(150.951022,0.49424062);(150.968551,0.01569983);(151.020304,0.00998267);(151.951184,0.00521207);(152.946037,0.00593406);(152.95198,0.03234643);(152.966666,0.20827191);(152.98924,0.07157474);(153.006801,0.00708999);(153.959274,0.07985532);(154.946917,0.011767);(154.96852,0.02395976);(154.984839,0.0387448);(155.954675,0.03171486);(156.994741,0.00670962);(157.015923,0.01056777);(157.989943,0.00506861);(158.973817,0.00734372);(158.995145,0.01164831);(159.010608,0.00814492);(160.989812,0.01081338);(161.059391,0.00816343);(161.132372,0.01472053);(162.951404,0.01576956);(163.027669,0.01836581);(164.966934,0.01372894);(164.987654,0.01640893);(165.036066,0.02170385);(166.982565,0.04836526);(168.961513,0.16830752);(169.016422,0.00521024);(170.026151,0.03679097);(170.05989,0.00563038);(170.956263,0.00546824);(170.963146,0.00878168);(171.010095,0.00617286);(171.031731,0.00722835);(172.005286,0.01150391);(172.115293,0.02942063);(172.989416,0.00873321);(173.010956,0.01182066);(174.989933,0.04262312);(175.005367,0.00701379);(175.038965,0.00565204);(176.967134,0.01989271);(176.988352,0.05590168);(177.005805,0.01236299);(178.983545,0.01205635);(179.000352,0.01421951);(179.051666,0.01883756);(179.954224,0.00942687);(180.961892,0.00715403);(182.977314,0.00703635);(185.011119,0.01400254);(185.949152,0.01100243);(185.961566,0.04522909);(186.927748,0.0053144);(187.005416,0.01374324);(187.027287,0.01091395);(188.915559,0.0223049);(188.966283,0.00538013);(189.005554,0.0435758);(189.043419,0.01025715);(189.054522,0.0074359);(190.965812,0.00619066);(191.001171,0.02214535);(192.961579,0.25233238);(193.067451,0.01122959);(193.964252,0.00510762);(194.999948,0.03874839);(196.041666,0.00687979);(197.012203,0.00637627);(199.026998,0.00660111);(201.020879,0.0083113);(202.967652,0.00772503);(203.022032,0.02272275);(203.033906,0.00850689);(204.962031,0.27692719);(205.016074,0.01631599);(205.962581,0.0305144);(205.987423,0.03608275);(206.92631,0.09464951);(206.958869,0.0091849);(206.977745,0.11096329);(206.988176,0.00544338);(207.054263,0.02296132);(208.976119,0.00872704);(210.97217,0.14701992);(212.972086,0.00707136);(213.020615,0.00600761);(214.742759,0.02608864);(214.754766,0.02443139);(215.03645,0.01170641);(220.902875,0.00587919);(222.898547,0.08725688);(222.920784,0.01509979);(223.928951,0.02543575);(224.898995,0.018386);(224.936958,0.02712336);(225.042735,0.00933667);(225.896815,0.00625866);(226.897315,0.01711235);(227.036492,0.00750105);(227.900606,0.00488368);(228.888927,0.04107611);(229.052087,0.01786011);(229.075034,0.01591235);(229.896054,0.07725588);(230.926165,0.02479328);(231.031412,0.0066972);(231.896472,0.01279731);(232.883322,0.02224476);(232.894242,0.01421884);(232.942584,0.02141393);(233.069843,0.02276894);(233.891276,0.05749569);(234.899358,0.07519425);(234.920481,0.00681569);(234.959549,0.00604399);(235.062608,0.00975989);(237.057174,0.00888035);(238.913372,0.01541588);(239.901383,0.00905653);(240.908975,0.14728525);(241.051993,0.00895428);(241.910452,0.0049944);(242.909379,0.06331817);(243.067641,0.02757115);(243.907414,0.02140923);(244.883847,0.04373904);(244.90506,0.02031157);(245.047027,0.03670823);(245.069252,0.00625748);(245.911323,0.00496515);(246.94102,0.00520808);(247.085111,0.00560652);(247.906286,0.06680411);(247.928624,0.00940088);(248.878206,0.0118169);(248.899371,0.00633252);(248.936625,0.11216861);(249.042243,0.01077696);(249.078024,0.01530621);(249.907035,0.03410341);(249.938884,0.00553647);(250.893518,0.0967479);(250.905278,0.01686494);(250.932544,0.03651678);(251.07192,0.01117962);(251.903023,0.00827025);(251.934807,0.00910457);(252.892445,0.00681558);(252.931691,0.00618498);(253.088063,0.01165409);(255.067597,0.01453147);(257.083159,0.02922036);(258.899112,0.03625026);(260.901339,0.00605776);(260.936932,0.00570214);(261.042237,0.01046781);(262.894527,0.08005354);(262.913112,0.00826571);(262.952181,0.0048017);(263.094114,0.01840724);(263.900995,0.04682228);(263.923897,0.0130232);(264.909084,0.13012291);(265.088079,0.00876798);(265.91207,0.0075072);(265.939314,0.05848138);(266.909458,0.0865441);(266.925534,0.00562671);(266.94679,0.02337585);(267.067837,0.00643317);(267.103906,0.00928663);(267.907167,0.03695067);(268.884547,0.00542663);(268.90583,0.06626739);(268.942863,0.02941416);(269.082931,0.02319407);(270.899358,0.15887032);(271.099034,0.02637082);(271.899898,0.03480711);(272.901147,0.01391891);(272.936211,0.01601979);(273.906469,0.00667487);(274.894156,0.00838157);(274.914631,0.01937443);(274.974799,0.01437698);(275.057514,0.0047751);(275.901718,0.11687148);(276.909731,0.22309591);(277.095194,0.00806789);(277.109835,0.01460923);(277.916437,0.0434155);(278.947287,0.02275059);(279.103841,0.01231456);(279.897132,0.01044477);(279.91607,0.04310858);(280.904985,0.00583695);(281.08313,0.04551644);(281.119471,0.00852494);(281.896441,0.03595815);(281.911728,0.33589167);(282.901023,0.03182303);(282.918759,0.08766197);(282.994502,0.01176486);(283.098601,0.00810187);(283.11654,0.00595903);(283.892026,0.01206846);(284.881296,0.00637201);(284.900985,0.01856226);(284.919819,0.09229015);(285.114507,0.01261549);(285.917563,0.035205);(286.070639,0.00527348);(286.894576,0.17644025);(286.915475,0.03572069);(287.03551,0.00797573);(287.077903,0.00634123);(287.894893,0.04561753);(288.880024,0.00913621);(288.894278,0.00484527);(288.909804,0.01770191);(288.919683,0.01197483);(290.910878,0.00999711);(290.926198,0.01096729);(290.947178,0.06728497);(291.124872,0.00808663);(291.896163,0.03055174);(292.909827,0.00808612);(293.932384,0.00578523);(295.194268,0.04100967);(295.896099,0.02514944);(295.927668,0.13734156);(296.197836,0.00615617);(296.929013,0.01608397);(296.95763,0.00862676);(297.11419,0.00877977);(297.928058,0.00711857);(298.109957,0.01080017);(299.130114,0.01057728);(300.910184,0.01864784);(301.004936,0.04099367);(304.891564,0.02809297);(304.905682,0.0234289);(304.924846,0.00512539);(305.045932,0.02665991);(305.120038,0.01247438);(305.140318,0.00877058);(306.919443,0.07794103);(306.941321,0.00610938);(307.135427,0.14015834);(307.154599,0.00810598);(308.138421,0.01733763);(308.919182,0.03116707);(308.936583,0.10946341);(308.956867,0.0068074);(309.151163,0.16348021);(309.171542,0.00674387);(309.918157,0.03528449);(309.937069,0.02472369);(310.15363,0.02603213);(310.917233,0.01949144);(311.167009,0.0386764);(312.169686,0.0051153);(313.204665,0.11546755);(314.208057,0.01775288);(314.912547,0.00506017);(316.905517,0.00635205);(318.920296,0.04310601);(319.835894,0.00990966);(321.209786,0.0072028);(322.914302,0.01091522);(323.075994,0.01088865);(323.225469,0.04008965);(324.228895,0.00701134);(324.930232,0.0083435);(325.145905,0.04408335);(326.930343,0.00524544);(327.161387,0.11421747);(327.182765,0.01244511);(327.928326,0.0057305);(328.163935,0.01736791);(328.905283,0.01183466);(329.177193,0.15256384);(330.180282,0.02592077);(330.920783,0.04099485);(331.062563,0.00716819);(331.135284,0.01258305);(331.214985,0.04600961);(331.921914,0.0095786);(332.218654,0.00661884);(332.936508,0.03465443);(333.150561,0.03079426);(333.17224,0.0291984);(333.93695,0.00617551);(334.843143,0.00550312);(335.166521,0.18460203);(335.187292,0.01749359);(335.831441,0.01041868);(336.169449,0.02624172);(336.838678,0.05121709);(337.18195,0.20279767);(337.204246,0.02095426);(337.844225,0.00542391);(338.184768,0.02611139);(339.198008,0.06785588);(339.220343,0.0120929);(341.235997,0.09379538);(342.239447,0.01422435);(342.998778,0.01217524);(343.036312,0.01885381);(344.998848,0.01164862);(345.069234,0.01105413);(347.187555,0.06794322);(348.190274,0.00733309);(348.952256,0.02671492);(349.071998,0.01255878);(350.946556,0.31187251);(351.184152,0.00827942);(351.846471,0.00482102);(351.947372,0.09044926);(352.946676,0.02256872);(353.176769,0.04585597);(353.198336,0.00639755);(353.841356,0.04929715);(354.848053,0.00684601);(355.12467,0.00592905);(355.192499,0.14262129);(355.214673,0.02718067);(356.021443,0.00952785);(356.194552,0.01311594);(357.208311,0.21252671);(358.000579,0.02079203);(358.05958,0.00974194);(358.211493,0.02905241);(358.843304,0.06128828);(359.246623,0.01787146);(360.092768,0.0107706);(360.838738,0.26069709);(361.04682,0.05040675);(361.279911,0.00705216);(361.840326,0.02877797);(362.053463,0.00875467);(362.877041,0.01371845);(363.010773,0.08914076);(364.014059,0.00783484);(373.13551,0.01927039);(374.032022,0.01071372);(375.218999,0.07283922);(375.96697,0.01057866);(376.070105,0.03088517);(376.854056,0.01125068);(378.849175,0.07048916);(383.156378,0.00577212);(387.150761,0.01482088);(389.180775,0.0867569);(390.183492,0.01668188);(391.146037,0.05333104);(392.14934,0.00629183);(394.844286,0.00726339);(397.172102,0.00663485);(400.011374,0.01083276);(401.060554,0.01018053);(401.166941,0.01908555);(405.072341,0.01881684);(405.161507,0.03205207);(406.844451,0.01586521);(407.190193,0.00547071);(409.050731,0.00525355);(415.18241,0.01863758);(417.09206,0.00783811);(417.211564,0.10791969);(418.214655,0.01510123);(419.072147,0.03476441);(419.177215,0.02995935);(420.074197,0.00653959);(433.193304,0.0100383);(435.101517,0.01832119);(447.10209,0.00545458);(447.34714,0.01369302);(473.154017,0.00752807);(473.344748,0.02538858);(475.132632,0.02365803);(475.191949,0.02116519)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(51.940726,0.03060735);(53.002947,0.00723009);(53.039307,0.00836668);(55.018554,0.01063916);(55.054965,0.08152002);(55.935131,0.12156542);(56.050197,0.01032281);(56.942961,0.049905);(56.965513,0.60303583);(57.034214,0.00747916);(57.070607,0.37012815);(57.935498,0.02811915);(58.065852,0.02225768);(58.073941,0.01356352);(58.961198,0.03106345);(59.049875,0.00855628);(59.061086,0.0393515);(59.930961,0.00952566);(59.990953,0.01919071);(60.958384,0.01367253);(61.011361,1.0);(62.014717,0.01613434);(62.01917,0.45304353);(63.007136,0.03756195);(63.02249,0.00634881);(63.026968,0.00714719);(63.998426,0.06184003);(64.014972,0.01688634);(65.039267,0.00650616);(67.054907,0.09605501);(68.943255,0.00551894);(68.96317,0.00482502);(69.034122,0.01080025);(69.07053,0.05503443);(70.065779,0.03085098);(70.942462,0.01207848);(70.958501,0.17171768);(70.981066,0.01295174);(71.04976,0.01020871);(71.086146,0.03250979);(71.929943,0.04226298);(71.952505,0.02945426);(72.937754,0.26248824);(72.960341,0.00858418);(73.945596,0.01083289);(74.953352,0.00950025);(74.975948,0.02383115);(75.945939,0.0050984);(77.008964,0.00864284);(79.021781,0.44925618);(79.054823,0.05450187);(80.025134,0.00391269);(81.01755,0.01348463);(81.034059,0.01898023);(81.070417,0.0705031);(83.049723,0.00930407);(83.086053,0.01520046);(84.081298,0.01077679);(84.960275,0.01602378);(85.101704,0.00660443);(86.004137,0.00449356);(86.096947,0.00526418);(87.044555,0.00641368);(87.906957,0.00631465);(88.914794,0.00547314);(88.952899,0.00877228);(88.968948,0.0794385);(88.991505,0.00490443);(89.060174,0.01466166);(89.940358,0.03576742);(90.948155,0.24778987);(91.054729,0.13333603);(91.057711,0.01141366);(92.057998,0.00549693);(92.986377,0.01961642);(93.07032,0.03931436);(93.956355,0.00461016);(95.013177,0.00533057);(95.049548,0.0301207);(95.085914,0.04616201);(97.065198,0.00493851);(98.975762,0.30886062);(99.94842,0.00889276);(99.9791,0.00524613);(100.968764,0.00747819);(100.991437,0.00416238);(102.926002,0.03293793);(102.948193,0.02429261);(102.968753,0.00617363);(103.05463,0.01713259);(103.924238,0.00529728);(104.062384,0.00950514);(104.963689,0.01538052);(105.033811,0.00467389);(105.070188,0.10218861);(105.91733,0.00909101);(105.935057,0.00583867);(106.979399,0.00532613);(107.049446,0.01223159);(107.085844,0.02186676);(107.950695,0.02263585);(108.493848,0.01286766);(108.958521,0.06730707);(109.0651,0.00595599);(109.101463,0.00830638);(110.975617,0.00446817);(113.9639,0.01070305);(113.976503,0.00522042);(115.006908,0.00566428);(115.054413,0.01763737);(116.005668,0.00832403);(116.053065,0.00570946);(116.963556,0.06318939);(116.986051,0.35687277);(117.070047,0.04823526);(117.989353,0.00545457);(118.925075,0.00912941);(118.942903,0.01535683);(118.94763,0.01507295);(118.979896,0.0100739);(119.001726,0.01752693);(119.04935,0.01317121);(119.085701,0.06545967);(120.940605,0.07861788);(120.958568,0.00384028);(120.978957,0.00595671);(121.028577,0.00733581);(121.065065,0.00697485);(121.101246,0.00599074);(122.941056,0.01772499);(122.973929,0.00446992);(124.936085,0.006084);(125.960919,0.01282798);(126.984198,0.03361862);(127.979432,0.0136807);(128.062163,0.00759077);(128.963476,0.05692246);(128.985906,0.01783534);(129.070023,0.01853422);(130.065133,0.07093557);(130.979051,0.05693964);(131.000414,0.0416011);(131.04917,0.01121743);(131.068521,0.00423859);(131.085582,0.02504823);(131.974391,0.00604428);(131.986891,0.01384181);(132.093271,0.03076486);(132.958086,0.07203802);(132.995283,0.01090547);(133.017242,0.00923802);(133.064768,0.01521011);(133.101278,0.0100994);(133.948194,0.01081394);(134.956104,0.28377378);(134.973777,0.03410009);(134.978799,0.04541516);(134.989229,0.0108305);(134.996418,0.21382352);(135.927542,0.00887591);(136.93539,0.0039201);(136.952614,0.01081725);(136.957966,0.04175905);(136.974362,0.00806604);(137.011873,0.01438006);(137.927983,0.01327741);(138.950988,0.05398551);(138.983989,0.03655496);(138.989445,0.00388491);(140.984329,0.02193083);(140.99961,0.02663543);(141.022177,0.00524478);(141.069796,0.00676272);(141.994882,0.0079307);(142.979079,0.04585045);(143.000206,0.02819422);(143.08556,0.0078127);(143.974138,0.00499172);(144.958408,0.06000813);(144.979929,0.00416588);(144.994702,0.04895315);(145.016615,0.01085046);(145.064767,0.0084948);(145.101169,0.00835656);(145.966491,0.01081018);(145.989814,0.00719133);(146.956644,0.00497197);(146.974145,0.11214295);(146.989038,0.00623963);(146.996095,0.01775663);(147.032853,0.00598357);(147.043978,0.01180154);(147.116726,0.14026052);(147.974624,0.0074915);(148.120128,0.01625171);(148.955842,0.02211536);(148.97176,0.2664659);(148.98948,0.04444788);(149.004774,0.01211164);(149.011792,0.015611);(149.972011,0.00407816);(150.950951,0.38520718);(150.968537,0.09905644);(150.983697,0.00929779);(151.020409,0.05348111);(151.959073,0.00686573);(151.976594,0.00931601);(152.951836,0.03091917);(152.966612,0.19173882);(152.989242,0.04265611);(152.999764,0.01037181);(153.006919,0.01606188);(153.959321,0.11167617);(153.966616,0.00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3.009999,0.00403956);(276.87586,0.00462123);(276.909532,0.01004927);(277.00506,0.09092206);(278.011557,0.01666383);(279.103304,0.00621176);(279.896777,0.00484277);(281.098811,0.00763696);(281.896483,0.01405019);(281.912103,0.04496995);(282.918758,0.00595482);(282.994866,0.01086323);(283.099022,0.00399994);(284.936179,0.01012496);(284.996878,0.00570527);(286.882411,0.00446168);(286.89506,0.00866429);(286.976047,0.0222133);(287.035524,0.03349962);(288.921053,0.00643137);(290.947495,0.00402328);(291.020487,0.0121413);(295.927899,0.01726328);(301.005151,0.0310063);(303.007478,0.02037073);(304.012599,0.0052369);(304.892279,0.00545402);(304.905782,0.00755542);(305.045916,0.08341747);(305.120461,0.00506089);(306.049141,0.00777413);(307.135327,0.02182186);(308.93614,0.06714142);(309.034371,0.0096267);(309.936921,0.01157316);(310.843358,0.00464761);(311.071777,0.00874695);(311.831372,0.00431973);(312.838672,0.03379095);(313.204735,0.01171815);(315.989438,0.00387455);(317.840897,0.00615614);(318.028468,0.00654995);(319.836006,0.0370353);(321.018081,0.01218016);(323.225483,0.00508999);(325.146048,0.00450998);(327.825971,0.01331823);(328.012621,0.0050506);(328.833043,0.00415763);(330.045802,0.00476168);(331.134467,0.00937178);(332.007795,0.0051055);(333.150604,0.0087711);(335.16651,0.02485494);(336.838849,0.01436608);(337.182306,0.00446421);(337.846634,0.02049952);(341.235876,0.01461188);(343.037472,0.02258182);(343.984477,0.00644284);(344.828468,0.02050508);(345.068965,0.02049975);(346.02305,0.0167096);(346.07245,0.00444944);(353.841389,0.00575465);(358.00062,0.00607014);(359.00817,0.00767047);(360.839023,0.01189777);(361.046647,0.02857819);(363.009554,0.01187729);(369.836267,0.02450089);(373.135145,0.00429591);(387.846627,0.00475702);(391.146025,0.01245119);(447.346589,0.01182052)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(55.017567,0.00626984);(57.033227,0.11892751);(57.423726,0.00041394);(58.036657,0.00075384);(59.012492,0.22909778);(59.014132,0.00241482);(60.015813,0.00147191);(61.987001,0.04277364);(62.289762,0.0003958);(65.00187,0.0010102);(65.663225,0.00043808);(66.193677,0.00041189);(67.017584,0.05721462);(68.996827,0.0089539);(69.033224,0.03154679);(70.808258,0.00045516);(71.01252,0.04370131);(71.048904,0.05941134);(71.752987,0.00040009);(72.944633,0.00039431);(72.991746,0.02414703);(73.028113,0.00198632);(74.076683,0.00040746);(74.130329,0.00039727);(75.007546,0.00046552);(78.984556,0.00084339);(79.053987,0.04090595);(81.033231,0.02108412);(82.787712,0.00042458);(83.012479,0.01347619);(83.048913,0.04345711);(85.028114,0.01224837);(85.064535,0.00264715);(87.007353,0.00430907);(89.02283,0.00043113);(91.053998,0.02857316);(93.033272,0.0178812);(93.069677,0.00525959);(93.193137,0.00041786);(94.041108,0.00043041);(94.717522,0.0003982);(95.01257,0.06894903);(95.048978,0.05400174);(96.015772,0.00046104);(97.028174,0.02770381);(97.064581,0.01045962);(99.043788,0.0027979);(99.924499,0.00759631);(105.033331,0.00254358);(105.069668,0.00815627);(106.041145,0.0128081);(107.048963,0.15254005);(107.085467,0.0010321);(108.020393,0.00862922);(108.052311,0.00905623);(109.028247,0.03121369);(109.064643,0.0496896);(110.068147,0.00068114);(111.007529,0.00931318);(111.043907,0.1098515);(111.080037,0.0004);(112.047252,0.00186307);(113.023143,0.0024144);(113.059591,0.00747618);(116.970884,0.00045396);(117.069675,0.00350194);(119.048992,0.03055014);(119.085374,0.01823387);(120.056811,0.00575432);(121.028175,0.00378424);(121.064677,0.09533182);(121.246589,0.00043924);(122.03612,0.01756044);(122.067979,0.0043877);(123.04394,0.10335643);(123.080379,0.04305271);(124.047247,0.00336133);(125.023293,0.00549316);(125.059458,0.01073266);(126.903841,0.02107877);(126.999784,0.00051336);(127.075265,0.00353375);(129.054573,0.02560666);(129.069736,0.00208045);(129.134731,0.00042443);(131.049041,0.00448024);(131.085436,0.00832244);(132.056931,0.002757);(133.064761,0.06102329);(133.101229,0.00096859);(134.067813,0.00089658);(135.044023,0.02952244);(135.080361,0.13241044);(136.015837,0.00086773);(136.051976,0.00811084);(136.083696,0.00913924);(137.023276,0.00372044);(137.059684,0.05753474);(137.096023,0.15186989);(137.101849,0.00055969);(138.062561,0.0004821);(138.099331,0.01123871);(139.075239,0.00707059);(141.015797,0.01904511);(141.090993,0.0131648);(142.942655,0.00072812);(143.049201,0.00177928);(143.085514,0.00489204);(144.057118,0.00280871);(145.064796,0.07399822);(145.101194,0.00429666);(145.405034,0.00043173);(146.067366,0.00113963);(146.073004,0.00465369);(147.043961,0.0300348);(147.080438,0.16452291);(148.051958,0.01762704);(148.083795,0.01633922);(149.023195,0.00060131);(149.059845,0.02831505);(149.09608,0.05579683);(150.067729,0.0075911);(150.099522,0.00233261);(151.039007,0.00122371);(151.075367,0.00598768);(153.090942,0.0023063);(153.439313,0.00048329);(155.085548,0.00234504);(157.064927,0.02214929);(157.101155,0.00656813);(159.044251,0.00206953);(159.080514,0.07939271);(159.116852,0.00673439);(160.051915,0.00622277);(160.083891,0.00280731);(161.05982,0.02477965);(161.096122,0.04297175);(162.068065,0.00214773);(162.099488,0.00039601);(163.039086,0.00560639);(163.07547,0.06366891);(163.11194,0.00384418);(163.295729,0.00039348);(164.078807,0.00237803);(165.054755,0.00285569);(165.09113,0.02671448);(166.062563,0.00482707);(167.106701,0.00202414);(168.78153,0.00042316);(169.064889,0.00389691);(169.101351,0.00443062);(170.072849,0.00449265);(170.720652,0.00041305);(171.080659,0.04165093);(171.116991,0.00569367);(172.052221,0.00426326);(173.060043,0.0283197);(173.096228,0.07311665);(173.132532,0.00204971);(174.067951,0.00770278);(174.09947,0.0043552);(174.758553,0.0004081);(174.991772,0.00066211);(175.075639,0.09123513);(175.111941,0.04404648);(176.078757,0.00449456);(176.115435,0.00200028);(177.091141,0.0595711);(178.09459,0.00378042);(179.070891,0.00073274);(179.106874,0.00651884);(181.086264,0.00596201);(181.101005,0.00180874);(182.072687,0.00039966);(183.080745,0.01853316);(183.117267,0.00335401);(184.08865,0.00502052);(185.060134,0.01429008);(185.096438,0.04062249);(185.132709,0.008707);(186.067889,0.00632913);(186.100042,0.00082942);(186.136848,0.00044448);(186.634596,0.00042357);(187.075735,0.09212706);(187.111947,0.03220482);(188.080442,0.00358192);(189.054925,0.00073716);(189.091421,0.02715241);(189.127712,0.05211621);(190.099722,0.00088075);(190.131103,0.00284461);(191.03411,0.01260743);(191.070503,0.00415575);(191.107051,0.00521837);(193.086642,0.00081611);(193.102273,0.0004554);(195.080839,0.0061104);(195.117624,0.00079685);(196.088933,0.00232176);(197.06037,0.00124175);(197.096532,0.0393742);(197.132713,0.00475875);(198.067852,0.01997187);(198.103679,0.00457879);(199.075761,0.0243394);(199.112131,0.29567332);(199.148376,0.00103408);(200.083608,0.00537414);(200.115385,0.04424366);(201.024732,0.00095923);(201.055297,0.00341191);(201.091586,0.08146315);(201.127763,0.02301058);(202.095518,0.0051701);(203.070812,0.03029038);(203.107084,0.02171775);(204.074677,0.0008392);(205.086423,0.02191023);(205.122869,0.01684277);(207.117238,0.00311076);(209.096609,0.022781);(209.133085,0.00658465);(210.103471,0.00173079);(211.075845,0.00653148);(211.112436,0.03366464);(212.083446,0.00350137);(212.117232,0.00174169);(213.091656,0.04434764);(213.127832,0.01809761);(214.097852,0.00219401);(214.201051,0.00432451);(214.211237,0.00856246);(214.220617,0.01276278);(214.227236,0.01205284);(214.236476,0.01127749);(214.253237,0.00690792);(215.070642,0.00817075);(215.107315,0.02625173);(215.143772,0.02404908);(216.078469,0.00326365);(216.14694,0.00080255);(217.002553,0.02326008);(217.086504,0.00473628);(217.123019,0.03912404);(218.126487,0.00114049);(219.065778,0.00079613);(219.101733,0.0009423);(221.081698,0.0016837);(221.096748,0.01265467);(223.075987,0.00632731);(223.112334,0.01869626);(224.083843,0.00295494);(224.119222,0.00042524);(225.007096,0.00332049);(225.091862,0.07810936);(225.128174,0.05540647);(226.095309,0.00776838);(226.131265,0.0052625);(227.070565,0.00044784);(227.107502,0.02374052);(227.143827,0.20510854);(228.114827,0.00724685);(228.147223,0.03387499);(229.087069,0.01545245);(229.123105,1.0);(230.126494,0.16470454);(230.139011,0.00064792);(231.066123,0.00147189);(231.102456,0.05191613);(231.115679,0.00055815);(231.128952,0.00973362);(231.412904,0.00039816);(232.10594,0.00243595);(232.975167,0.00166215);(233.096596,0.00321949);(233.133052,0.00237101);(234.975772,0.00102152);(235.112653,0.03219307);(236.117568,0.00327331);(237.09164,0.01009621);(237.128178,0.02335685);(238.099372,0.00746506);(239.107404,0.01590015);(239.143851,0.01683653);(240.148092,0.0008663);(241.086883,0.00736169);(241.12309,0.01215492);(241.159575,0.00731571);(243.102494,0.06650128);(243.138844,0.08668059);(243.175187,0.00592743);(244.106238,0.00640357);(244.142208,0.01448703);(245.08201,0.00334724);(245.118263,0.00081443);(247.112554,0.00601865);(248.120352,0.0008829);(249.091874,0.04811574);(249.128565,0.03062373);(250.098183,0.00868966);(250.132877,0.00473689);(251.10759,0.01577784);(251.14413,0.02361382);(252.113014,0.00083378);(252.148261,0.00055095);(253.123254,0.14559053);(253.15932,0.00379475);(254.126712,0.02609722);(255.102713,0.0067014);(255.139425,0.00416761);(255.175392,0.03407005);(255.233294,0.00043004);(256.110426,0.0091681);(256.179417,0.0014997);(257.118302,0.05119326);(257.154513,0.01490004);(258.121771,0.00441949);(259.097723,0.03986713);(259.112024,0.00698892);(260.101112,0.0015684);(261.091743,0.0056862);(261.113403,0.00051693);(261.12833,0.01022897);(261.149954,0.00141447);(262.099999,0.00526713);(262.134407,0.00041854);(263.107421,0.00547467);(263.143982,0.00816436);(265.087468,0.00103624);(265.123664,0.02927592);(265.159884,0.00663479);(266.12846,0.00202843);(267.102856,0.00467708);(267.139318,0.0068326);(267.175517,0.01132321);(268.126707,0.00047938);(268.140709,0.0004406);(269.118184,0.01982372);(269.155101,0.00645613);(270.123861,0.00041068);(271.134206,0.07668946);(271.170391,0.01983663);(272.121079,0.0004798);(272.137401,0.00960236);(275.108016,0.02199125);(275.144159,0.00525564);(276.111507,0.00084276);(277.086946,0.00444748);(277.123481,0.06487868);(277.159817,0.01522388);(278.131208,0.51556418);(279.102802,0.00451102);(279.134629,0.10587776);(280.109884,0.00394958);(280.137799,0.00508134);(281.081768,0.00095918);(281.118005,0.00599549);(281.154483,0.01626842);(282.08883,0.00284762);(282.15815,0.00044431);(283.097547,0.13243756);(283.134036,0.01525683);(283.170437,0.01890881);(283.264192,0.03344626);(284.10104,0.02527199);(284.267704,0.00364093);(285.149328,0.00489791);(285.186347,0.00738377);(287.144181,0.00171037);(289.123494,0.01685956);(289.14413,0.01022703);(289.160428,0.00044926);(290.130525,0.01344225);(291.103161,0.00194857);(291.1377,0.00199021);(293.081539,0.00049686);(293.118407,0.02840441);(293.154979,0.03217892);(294.12283,0.00332326);(294.158115,0.0038837);(295.097684,0.00239295);(295.133924,0.10595435);(295.170063,0.00696276);(296.137782,0.02238695);(297.11282,0.00120583);(297.149801,0.02409361);(298.120914,0.00299237);(298.152816,0.00040427);(299.165192,0.01862217);(301.180965,0.06878093);(302.184632,0.00963666);(303.10256,0.00689573);(303.138923,0.00623545);(303.174587,0.00095149);(305.118893,0.00761807);(305.154728,0.03301948);(305.191494,0.00053037);(306.1263,0.19736874);(306.157266,0.00498958);(307.131375,0.05925093);(307.169618,0.00103848);(308.1366,0.00421356);(309.11491,0.00054384);(309.149362,0.01156287);(310.121886,0.00084107);(311.130159,0.0004498);(311.165702,0.04054634);(312.169644,0.00313162);(313.144299,0.01729345);(314.149154,0.00112886);(315.104027,0.00044684);(315.122736,0.00102237);(316.106584,0.00045886);(317.154695,0.00383681);(319.096715,0.00142915);(319.169974,0.00081098);(319.205673,0.00041106);(321.113352,0.25849318);(321.146348,0.03844478);(321.185048,0.00322337);(322.116715,0.05784379);(322.152459,0.00448693);(323.118377,0.00056598);(323.16541,0.03432695);(323.201135,0.00515937);(324.101878,0.00041109);(324.168946,0.00445517);(325.183633,0.00416722);(327.119055,0.00041984);(329.175755,0.04998507);(330.179438,0.0059002);(331.134292,0.00550589);(333.113358,0.01009293);(333.148267,0.00048463);(333.186015,0.00993679);(334.12066,0.02064254);(334.157164,0.00040585);(335.127675,0.00694681);(335.165029,0.00712236);(335.201171,0.00426573);(336.170913,0.00117513);(336.204277,0.00040613);(337.144519,0.0141745);(337.180448,0.00450865);(338.115372,0.00104352);(338.15124,0.00995989);(339.123453,0.01488127);(339.158872,0.00321989);(339.19777,0.00039441);(340.126918,0.00051189);(347.165212,0.00652144);(348.171719,0.00184838);(349.144581,0.05176837);(349.180711,0.00664716);(350.148235,0.01139631);(351.159557,0.00171288);(351.196948,0.02480125);(352.199804,0.00050318);(353.176013,0.03522488);(354.179601,0.00283364);(361.145081,0.0010197);(361.179719,0.00090383);(363.160066,0.00684241);(363.196914,0.03834795);(364.20035,0.00542283);(365.175761,0.03355573);(366.180232,0.00439051);(367.191556,0.04035335);(368.19515,0.00470967);(377.175799,0.02814712);(378.179333,0.00368378);(379.190954,0.00899794);(381.207125,0.22526384);(382.210715,0.05812965);(383.212641,0.00340453);(383.99978,0.00140539);(384.159994,0.00088387);(389.175748,0.00408144);(392.162129,0.00160249);(393.168159,0.00048965);(394.776575,0.00044745);(395.186517,0.02840611);(396.156368,0.00044777);(396.189226,0.00444904);(397.165115,0.00455588);(397.200581,0.00120518);(398.17079,0.00088838);(407.186541,0.03528281);(408.189833,0.00634753);(409.166027,0.00201315);(425.197152,0.00074786);(450.351449,0.00043102);(451.175582,0.00132794);(459.327456,0.00188869);(460.329939,0.00040967);(469.186661,0.2072048);(470.190106,0.06021826);(470.289174,0.00040696);(471.193261,0.00811102)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(55.018524,0.00595857);(55.054854,0.0137287);(57.070612,0.12243578);(58.065803,0.00665578);(59.049818,0.00964114);(59.061133,0.25256041);(59.990785,0.00754304);(61.011383,0.39538795);(61.012967,0.00827085);(62.019221,0.07493485);(63.007106,0.01111967);(64.978145,0.00940478);(67.054969,0.03855873);(69.034126,0.00691651);(69.070587,0.07108188);(71.049658,0.00452648);(71.086216,0.05291018);(72.937757,0.00576623);(73.047368,0.02301436);(79.021871,0.12220696);(79.054748,0.00726002);(80.948264,0.02072729);(81.034116,0.04687167);(81.070479,0.05830829);(82.945364,0.005922);(83.049635,0.00466831);(83.086049,0.03346255);(85.065234,0.00577166);(85.101714,0.02849498);(87.044353,0.01097383);(88.978678,0.00435764);(89.060275,0.12860472);(90.948204,0.00632196);(91.054653,0.01756975);(91.057759,0.04172375);(93.07027,0.03081017);(95.013241,0.16437115);(95.049667,0.12036312);(95.086032,0.07503518);(97.065118,0.02040177);(97.10164,0.0270918);(98.975828,0.07545034);(101.003629,0.2505513);(104.992754,0.27583891);(105.070301,0.05180585);(107.049352,0.01249432);(107.085905,0.03157735);(107.966962,0.0046486);(109.064976,0.02371556);(109.101558,0.04221115);(111.080689,0.0201514);(111.116948,0.00483099);(116.053129,0.04166385);(116.986262,0.04346812);(119.085603,0.03423069);(121.064991,0.03507742);(121.10125,0.03215192);(123.080408,0.01834642);(123.116845,0.01590135);(125.096127,0.01188221);(128.1431,0.00470258);(131.085413,0.02095306);(133.064863,0.0490992);(133.086013,0.03716194);(133.101228,0.03574437);(134.956227,0.08443306);(134.996639,0.01133344);(135.080354,0.03026947);(135.116644,0.01672831);(137.059557,0.01257552);(137.096004,0.00624335);(143.085272,0.00718391);(145.064766,0.03746281);(145.100988,0.01673549);(147.043891,0.02157665);(147.080283,0.02947638);(147.116731,0.03530289);(148.971799,0.08758131);(149.023086,0.00510088);(149.059483,0.00529311);(149.095849,0.01749855);(150.951106,0.18066728);(151.111497,0.00550791);(152.951429,0.01392589);(152.966676,0.044643);(153.959148,0.01081224);(154.12247,0.00455066);(157.101013,0.01128419);(158.994575,0.00581593);(159.08049,0.02550723);(159.116628,0.01389784);(161.059748,0.41888929);(161.096071,0.01929458);(161.132412,0.00571132);(162.063049,0.0457684);(163.075041,0.00991426);(163.111684,0.00510468);(164.987831,0.0177416);(165.090756,0.00501726);(166.982777,0.02003695);(167.055307,0.01850973);(168.917108,0.01747342);(168.961748,0.05692177);(169.10097,0.0061183);(171.08017,0.01379329);(171.116544,0.00718872);(172.115393,0.04119293);(173.010648,0.01223592);(173.059724,0.00820588);(173.095926,0.01629966);(173.132407,0.01084349);(174.989689,0.00847946);(175.075566,0.05517453);(175.111598,0.02510763);(176.967313,0.02208845);(176.988884,0.06943466);(177.005375,0.0100503);(177.090795,0.00538662);(178.98339,0.00967966);(179.002554,0.0065075);(179.02243,0.02237767);(180.999322,0.00441);(183.116849,0.00685084);(185.059628,0.0053865);(185.095996,0.02060654);(185.961465,0.05281337);(186.878524,0.01151852);(186.927814,0.05424984);(187.026137,0.00655827);(187.075426,0.05083269);(187.11168,0.02214502);(188.92467,0.01956263);(189.005482,0.01982288);(189.091006,0.00822534);(190.966561,0.01835241);(191.001772,0.00934933);(191.964451,0.01015439);(192.961813,0.63596675);(193.96397,0.03200994);(194.961547,0.03452739);(194.999873,0.06337693);(195.080271,0.00513044);(196.950588,0.0259575);(196.959014,0.00473638);(197.096039,0.03632626);(197.97433,0.00840721);(199.075136,0.00956187);(199.111516,0.0170366);(199.132604,0.00486712);(201.090936,0.03189816);(201.1274,0.00742221);(203.0211,0.00615148);(203.070242,0.00700319);(203.106728,0.00486982);(204.962175,0.2089827);(205.049709,0.03366848);(205.962679,0.02117141);(206.926192,0.00617303);(206.977792,0.05376855);(206.988178,0.00707148);(208.951302,0.00549642);(208.977241,0.01096198);(209.095892,0.01359119);(209.97545,0.00457309);(210.185044,0.0086123);(210.9723,0.345386);(211.075545,0.00673767);(211.111503,0.01556448);(211.974479,0.01219041);(212.972692,0.07735846);(213.091137,0.06722904);(214.135369,0.01759618);(214.151606,0.05346027);(214.160989,0.02182985);(214.173778,0.01271815);(214.968323,0.02958594);(215.106644,0.03715205);(219.174317,0.03297995);(222.898895,0.03693922);(223.063736,0.03405795);(223.111615,0.01338524);(224.899207,0.00746847);(225.0428,0.04512938);(225.090982,0.01148862);(225.126841,0.0068208);(227.106289,0.01490564);(229.896024,0.06148857);(230.926216,0.01121292);(231.896413,0.03354493);(232.883257,0.00694715);(232.895035,0.00521266);(233.891883,0.0260005);(235.111539,0.01705913);(237.127286,0.01215435);(239.106253,0.00772628);(240.909173,0.05642989);(241.12205,0.00721307);(242.909963,0.03573821);(243.101437,0.00960974);(244.905185,0.00856494);(245.046884,0.00478342);(245.891173,0.01022108);(246.899079,0.03190026);(246.931139,0.00663076);(247.111459,0.00571292);(247.906523,0.03923997);(248.899219,0.02508165);(248.936347,0.0562531);(249.9072,0.05349143);(250.177677,0.03710045);(250.893713,0.06707317);(251.106423,0.00869689);(251.142862,0.00736576);(251.903076,0.0119126);(252.876491,0.00610616);(252.89253,0.00781669);(253.0863,0.0098565);(253.122193,0.01587673);(258.89952,0.01565876);(258.997691,0.01973005);(259.112968,0.00455129);(260.85331,0.00692899);(261.12726,0.00794367);(261.906096,0.00480064);(262.89489,0.00563139);(262.913824,0.03035634);(263.106899,0.00773251);(263.90105,0.08438518);(264.909136,0.33342431);(265.121859,0.00887637);(265.911422,0.02868046);(265.939334,0.00981207);(265.990757,0.00507955);(266.909754,0.27357977);(266.946648,0.00838726);(267.90903,0.03106165);(268.905018,0.12698663);(268.942996,0.00499596);(269.906964,0.00503868);(270.900278,0.08750998);(271.900441,0.01299447);(272.900231,0.00793658);(272.936484,0.02865766);(273.127846,0.00474789);(273.906779,0.00506352);(274.893887,0.04666089);(274.971524,0.04411328);(275.143393,0.00576452);(275.902253,0.08730403);(276.909912,0.06686823);(276.930825,0.00647352);(277.007964,0.01396246);(277.916702,0.00465512);(278.863292,0.04283311);(278.924622,0.03852889);(278.947255,0.02446493);(279.137357,0.01581018);(279.898298,0.00764066);(279.916159,0.07195485);(280.904989,0.0374644);(280.924277,0.02760084);(281.117608,0.00725221);(281.896832,0.06600791);(281.911941,0.528634);(282.90177,0.1401639);(282.919505,0.24129451);(283.262946,0.03053822);(283.89174,0.02457706);(283.92087,0.01353538);(284.901169,0.02975127);(284.919898,0.32359618);(285.009044,0.00439104);(285.918615,0.03848664);(286.273855,0.01308253);(286.894536,0.20834921);(286.915735,0.13631507);(287.895088,0.05116273);(287.916277,0.01056131);(288.893392,0.00967304);(288.909216,0.17971547);(289.122053,0.00805501);(289.912415,0.02231329);(290.909703,0.19846063);(290.947283,0.11192294);(291.90984,0.02867007);(291.950131,0.00451529);(292.90468,0.09055776);(292.983695,0.0126964);(293.908432,0.00606728);(294.903535,0.02016997);(295.13322,0.00455693);(295.927721,0.04948722);(296.935214,0.02671863);(296.957025,0.00735522);(299.061458,0.0600712);(299.906451,0.00491382);(300.061929,0.01004508);(300.125938,0.02847363);(300.911077,0.04412068);(301.826522,0.00641937);(302.92706,0.01127897);(303.137949,0.01885362);(304.904928,0.02410533);(304.924395,0.04149576);(305.153569,0.00539718);(305.923777,0.00476969);(306.919718,0.74512222);(307.134534,0.03172617);(307.922028,0.11310298);(308.92,1.0);(308.958652,0.00571607);(309.151065,0.08381575);(309.918395,0.29540449);(310.15331,0.00640356);(310.915666,0.40816999);(311.166855,0.04003514);(311.294121,0.02301305);(311.917705,0.06507151);(312.913221,0.09495296);(313.122377,0.00679148);(313.204426,0.05747979);(313.915435,0.00747907);(314.892777,0.0073846);(314.912339,0.03061237);(315.138183,0.00659847);(316.905484,0.04739849);(317.821438,0.02687688);(317.949022,0.01249586);(318.920537,0.06320783);(319.926565,0.01561813);(320.866358,0.0055352);(320.91835,0.03403322);(320.93567,0.01420585);(320.955756,0.00608793);(321.148202,0.00829557);(321.185027,0.00549445);(322.823583,0.00591151);(322.914803,0.30226707);(322.934808,0.02359704);(323.164896,0.00561043);(323.225382,0.00664266);(323.916482,0.03042348);(324.930674,0.13903036);(325.933444,0.01628715);(326.930729,0.31182768);(327.07775,0.00655761);(327.161494,0.06565433);(327.181562,0.00976242);(327.929969,0.06581659);(328.905139,0.01361126);(328.925767,0.15432645);(329.155776,0.00752856);(329.177106,0.23959027);(329.929202,0.02443502);(330.180221,0.04031917);(330.920745,0.19905212);(331.132527,0.01043612);(331.215572,0.02437292);(331.921805,0.05292104);(332.918514,0.00497483);(332.937578,0.02320753);(334.843675,0.00612654);(335.166375,0.04824681);(335.831167,0.02001522);(336.169,0.00550165);(336.838734,0.09644155);(336.930551,0.03000535);(337.182012,0.12571737);(337.939134,0.05016428);(338.184147,0.01617115);(338.839673,0.00621237);(338.876951,0.01128509);(339.197202,0.10646119);(339.325668,0.01846493);(340.200163,0.01097552);(341.23611,0.0637588);(342.239883,0.00786701);(343.19261,0.00560355);(344.86621,0.04191992);(346.900388,0.06104262);(347.165242,0.00657476);(347.187198,0.10222295);(347.901742,0.00807903);(348.190835,0.01567321);(348.899288,0.02178644);(348.952212,0.01193238);(349.143482,0.00643499);(350.946567,0.21050888);(351.845899,0.00483418);(351.899842,0.01051592);(351.948045,0.06170442);(352.946518,0.00722602);(353.176042,0.00819391);(353.84135,0.07732361);(354.804991,0.01966279);(354.847613,0.0130886);(355.192456,0.09315324);(355.213992,0.02115738);(355.931193,0.02141953);(356.21283,0.01324318);(356.847424,0.0121863);(357.208452,0.39929251);(358.211449,0.05495096);(358.84344,0.19227098);(359.246472,0.00871382);(359.830691,0.01792053);(360.838873,0.97852055);(360.880537,0.01501265);(361.279875,0.0177568);(361.840822,0.12933417);(362.840313,0.04819782);(362.876876,0.11809962);(363.879582,0.00596304);(364.834401,0.01805675);(364.876761,0.01884125);(364.962192,0.01377584);(365.062835,0.01012057);(365.174683,0.00584786);(367.189799,0.01746904);(369.836548,0.007332);(371.223823,0.00456221);(375.163681,0.00595965);(375.218924,0.1267336);(376.221926,0.01068026);(376.854816,0.04811933);(377.84069,0.03176331);(378.849506,0.27783756);(379.852155,0.03719045);(380.850025,0.02868786);(380.887452,0.02497377);(381.836002,0.0098348);(382.845459,0.0075554);(382.88835,0.01125875);(383.140128,0.01082669);(387.184991,0.02120107);(388.833082,0.00592762);(389.180522,0.50318386);(390.183342,0.11212764);(391.013761,0.0222276);(391.179782,0.03827768);(392.848104,0.01456825);(392.939684,0.00721789);(394.844539,0.12071672);(395.848875,0.01552633);(400.834032,0.01497036);(403.196986,0.01179839);(403.272982,0.03043766);(403.880528,0.01489977);(405.007674,0.00593435);(406.84473,0.08347567);(407.190345,0.08469931);(407.846179,0.00561078);(408.193245,0.01586473);(408.860916,0.00479705);(409.198402,0.00909793);(410.9501,0.05481804);(411.950704,0.00964029);(412.854362,0.01996032);(415.216541,0.05124427);(416.217145,0.01683669);(417.211612,0.81553872);(417.856794,0.0607955);(418.214837,0.11994412);(418.846895,0.00887095);(419.851717,0.33777701);(420.855132,0.05637111);(421.282806,0.02661077);(421.854325,0.00920883);(425.195425,0.13885739);(426.198696,0.03880898);(427.011265,0.01098195);(435.221558,0.06795732);(435.867494,0.01132069);(436.224648,0.00444375);(437.86261,0.09571479);(438.864997,0.00780951);(447.347125,0.00616008);(447.846906,0.00524736);(449.286786,0.09437639);(450.290661,0.0209386);(451.214909,0.01841743);(457.021435,0.03872332);(457.349326,0.07888789);(458.353358,0.0088461);(459.328565,0.02959114);(461.863675,0.02502152);(463.126347,0.01603711);(463.302212,0.06291921);(463.879406,0.02655692);(464.307386,0.00803848);(467.108539,0.00515138);(467.246053,0.01049354);(469.156771,0.00883171);(469.386263,0.12628064);(470.38978,0.03552045);(471.329211,0.01160197);(471.363817,0.0321206);(473.196126,0.01738161);(473.344575,0.26893403);(474.34812,0.07106515)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.207789,0.00215991);(50.223348,0.0022988);(51.633814,0.00259199);(52.136276,0.00239932);(52.423723,0.0024416);(52.471338,0.00248226);(52.861704,0.00203927);(52.929687,0.00205106);(53.631742,0.00278068);(54.345468,0.00193237);(55.017569,0.00522093);(55.818984,0.00195121);(55.889768,0.00190222);(55.892021,0.00228946);(56.238471,0.00219709);(56.784063,0.00199842);(57.033213,0.23786814);(59.001106,0.00207835);(59.012478,0.49764117);(59.243781,0.00180771);(59.291383,0.00282015);(60.137627,0.00273821);(60.694418,0.00241382);(60.790949,0.00223601);(61.38394,0.002169);(61.987023,0.08441065);(62.336619,0.00199304);(63.143459,0.00243096);(63.177397,0.00185263);(63.889182,0.00259836);(64.003136,0.00184105);(64.383566,0.00216256);(65.038315,0.00419484);(65.744864,0.00173607);(65.803274,0.00193898);(66.565727,0.00251045);(66.819403,0.00198527);(66.897944,0.0022911);(67.017583,0.16884479);(67.227124,0.00205068);(67.30448,0.00237904);(68.418552,0.00226654);(68.884411,0.00208114);(68.996927,0.00694051);(69.033241,0.06901972);(69.171756,0.00208461);(70.517377,0.00221606);(71.012543,0.05787619);(71.048901,0.09210963);(72.608164,0.00197743);(72.675885,0.00234363);(72.692829,0.00249055);(72.99182,0.02949108);(74.185833,0.00244156);(74.540064,0.00276085);(75.825722,0.00242363);(78.105697,0.00215376);(79.053972,0.06486353);(80.346102,0.00210367);(80.670125,0.0025512);(80.708788,0.00194006);(80.92786,0.00295956);(81.033262,0.0433581);(81.490676,0.00253044);(82.540197,0.00209087);(82.923095,0.00232459);(83.012408,0.01112994);(83.0489,0.12960056);(84.175834,0.00195458);(85.028254,0.01357656);(85.741752,0.00221633);(85.81363,0.0026597);(87.002504,0.00222322);(87.790266,0.00205038);(89.036383,0.00201223);(89.71546,0.00229304);(89.888952,0.00207416);(90.139372,0.00277337);(91.053975,0.04129712);(93.033248,0.04073213);(95.012503,0.10388832);(95.048936,0.12549565);(95.921936,0.00202554);(97.014725,0.00224714);(97.028211,0.02355094);(97.064422,0.00665987);(97.308171,0.00185464);(97.695139,0.00194448);(99.448512,0.00196067);(99.924373,0.00320002);(100.635899,0.00220247);(101.491217,0.00206632);(104.059011,0.00247133);(105.012721,0.00201146);(105.069691,0.01716097);(105.24378,0.00200413);(105.334306,0.00193665);(106.041121,0.02473212);(106.244486,0.00283438);(106.407264,0.00197016);(107.048971,0.33752483);(107.085509,0.00241273);(108.020507,0.01905422);(108.052321,0.00201852);(109.02826,0.06098439);(109.064622,0.10984635);(110.091175,0.0021757);(111.007652,0.00468867);(111.043956,0.18484957);(113.059182,0.00215598);(113.26849,0.00210939);(114.031941,0.0024213);(116.098008,0.00235015);(116.610661,0.00236135);(116.863719,0.0017047);(117.020576,0.00215375);(117.069485,0.00737677);(117.299049,0.00196649);(118.126871,0.00248234);(119.04902,0.06623689);(119.08536,0.03199904);(119.380183,0.00224413);(120.05692,0.01250071);(120.088507,0.00210423);(121.028116,0.00251963);(121.064677,0.23175808);(122.036096,0.03242755);(122.068208,0.00490601);(122.333938,0.00265865);(123.043917,0.16455183);(123.080341,0.08217306);(125.059622,0.00265609);(126.110124,0.00234487);(126.903844,0.03273506);(127.290811,0.00199891);(129.054112,0.00227721);(129.069836,0.00275672);(131.049184,0.00571227);(131.085184,0.00916832);(132.057136,0.00523964);(133.06476,0.16671902);(133.101051,0.00218456);(135.043997,0.06334317);(135.080389,0.33864444);(135.174401,0.00200752);(135.862379,0.00204412);(136.051785,0.00606675);(136.083636,0.0199153);(136.604751,0.0031406);(137.059719,0.04906536);(137.096065,0.1319021);(137.306564,0.00203401);(138.24431,0.0020839);(141.015878,0.00567965);(143.085417,0.00855541);(143.183181,0.00266044);(143.330081,0.00277633);(144.057224,0.01286656);(145.064808,0.22318739);(145.10157,0.00219247);(146.06766,0.00360786);(147.044053,0.05925656);(147.080424,0.40002277);(148.0519,0.02600873);(148.083953,0.00588453);(149.059671,0.057119);(149.096123,0.08575275);(150.78983,0.00219132);(151.741099,0.0022544);(152.603687,0.0025973);(156.057054,0.00237487);(157.064961,0.05214293);(157.10107,0.00213757);(157.765992,0.00293832);(157.905726,0.00195538);(158.391636,0.00241061);(159.044337,0.00224648);(159.080516,0.22753104);(159.116804,0.01119582);(160.051976,0.02676534);(160.084022,0.00486701);(161.059873,0.04237728);(161.096123,0.06436771);(162.067706,0.00495516);(162.61775,0.00238161);(163.075507,0.10278877);(163.112133,0.00322623);(163.430953,0.00209253);(163.872678,0.0021649);(164.464551,0.00216888);(165.091089,0.01294615);(166.062367,0.00575385);(168.754997,0.00287572);(169.064882,0.02100446);(169.10079,0.00240647);(169.27004,0.00259737);(169.697704,0.00206576);(170.072866,0.0053519);(171.080628,0.1438219);(171.087582,0.00255339);(171.117154,0.00604889);(172.051957,0.0062545);(173.059964,0.06605768);(173.096144,0.15661403);(174.991601,0.00345269);(175.075566,0.17913315);(175.112003,0.08100948);(175.926772,0.00210555);(177.091228,0.03452423);(179.105138,0.00248604);(181.101825,0.00477233);(181.26032,0.0025819);(182.238896,0.00230771);(183.080847,0.04169244);(183.117071,0.0053033);(184.05232,0.00536367);(184.088652,0.00870862);(185.059671,0.02139969);(185.069466,0.0019587);(185.09636,0.0751926);(186.06809,0.01815461);(187.075742,0.20167676);(187.112022,0.05598758);(187.444383,0.00210338);(189.091215,0.02090703);(189.127647,0.04624389);(190.46837,0.00212613);(191.03336,0.00220758);(191.107247,0.00214048);(193.100992,0.00266081);(195.080777,0.0130587);(195.117176,0.0021855);(195.964749,0.00202746);(197.096374,0.1233146);(197.13366,0.00549541);(197.705529,0.00201639);(198.068108,0.012149);(199.075751,0.05259652);(199.112128,0.59933954);(200.115375,0.07464572);(201.091504,0.32986065);(201.127788,0.05205633);(202.095094,0.01426896);(203.071251,0.00555235);(205.122091,0.00511517);(207.117305,0.00247996);(209.096599,0.06073118);(210.069002,0.00536672);(210.103897,0.00306508);(211.075475,0.00729624);(211.102215,0.00254935);(211.112456,0.07368193);(211.73935,0.00203396);(212.08274,0.00270942);(213.09159,0.04218263);(213.128243,0.0049648);(214.210258,0.05367753);(214.217746,0.05518083);(214.22425,0.04708117);(214.237935,0.0887697);(214.248575,0.01376737);(215.107155,0.01449004);(215.143301,0.00269152);(217.001887,0.00273781);(217.122524,0.01930819);(217.730819,0.00284647);(217.948446,0.00214234);(220.45957,0.00263483);(221.097001,0.02071467);(221.446386,0.00189842);(221.817222,0.00251172);(223.076133,0.00820185);(223.112499,0.03332415);(224.08335,0.00718548);(225.091717,0.27027668);(225.128068,0.06610612);(225.778421,0.00237918);(226.09538,0.01299164);(227.107644,0.02594262);(227.143837,0.11036575);(228.147238,0.00555395);(229.087048,0.00282759);(229.123128,1.0);(229.236614,0.00211194);(230.126304,0.15546738);(231.102529,0.02839642);(231.130104,0.00196838);(233.096947,0.01437662);(234.10327,0.00226074);(234.762521,0.00224914);(235.112558,0.09150475);(237.09164,0.02870918);(237.127775,0.01121774);(238.099852,0.00229158);(239.107226,0.01177052);(239.143916,0.00499299);(241.044621,0.00252661);(241.12309,0.00227738);(243.102246,0.08839482);(243.138854,0.0462695);(245.119121,0.00250803);(247.112846,0.00612593);(249.091736,0.42316513);(249.128168,0.04678402);(250.09694,0.0772461);(251.107455,0.00749547);(251.144312,0.01224664);(253.123332,0.12683356);(254.128004,0.00492018);(254.587683,0.00261447);(255.174942,0.00897582);(257.118406,0.02808268);(257.156868,0.00294834);(259.097561,0.04859602);(261.091861,0.01313538);(261.128836,0.00238149);(262.09859,0.00903575);(262.889692,0.00201308);(263.107471,0.00372052);(265.123133,0.02240629);(266.130392,0.00227887);(268.052262,0.00245569);(271.059522,0.00279562);(271.133917,0.01631344);(275.107928,0.03525173);(277.086865,0.02133109);(277.123112,0.05042628);(278.131111,0.69103252);(278.293579,0.00185057);(279.103355,0.00252479);(279.135222,0.14864958);(280.109323,0.00461253);(281.118894,0.00265308);(281.154604,0.00258317);(283.097323,0.07026586);(283.133167,0.00296891);(283.264174,0.02631001);(283.438788,0.0023783);(284.100621,0.00239289);(289.123351,0.0115174);(293.118604,0.00655433);(293.15502,0.00526039);(295.133906,0.08272314);(296.101886,0.00250793);(297.543572,0.0024459);(299.165632,0.00240073);(301.181101,0.00850239);(303.103283,0.00513527);(305.119694,0.00220427);(305.15494,0.00527867);(306.125663,0.02538384);(307.133896,0.00733593);(309.149717,0.00578656);(309.297204,0.00254547);(311.166722,0.01887361);(321.113259,0.30731635);(321.148493,0.00821866);(322.116891,0.04249494);(336.111741,0.00259842);(337.145217,0.00553011);(343.743837,0.00210951);(349.143701,0.0053005);(354.388713,0.00215273);(355.308323,0.00299761);(355.477342,0.00218516);(359.930635,0.00250306);(361.072579,0.00256374);(364.262016,0.00195048);(367.19087,0.00253406);(378.183079,0.00232752);(381.20687,0.03515115);(386.315682,0.00198743);(394.2087,0.00235634);(402.688707,0.00195077);(422.344624,0.00250978);(438.808822,0.0024051);(439.985821,0.00287973);(445.557271,0.00213391);(459.328836,0.0034338);(461.851573,0.00202075);(463.877332,0.00239916);(469.187511,0.00238015);(470.504706,0.00258769)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.522662,0.00392762);(51.021382,0.00389259);(52.235816,0.00303093);(52.867446,0.00349803);(53.319158,0.004092);(53.473028,0.00349821);(53.795191,0.00301045);(53.857754,0.00287731);(54.0702,0.00585527);(54.217954,0.003956);(55.017588,0.02618682);(55.361238,0.00342744);(55.737148,0.00287033);(55.898297,0.00303279);(56.317008,0.00382921);(56.476543,0.00297265);(57.033226,0.25424867);(57.523603,0.00338148);(57.614585,0.00465543);(57.710027,0.00321332);(58.098547,0.00346922);(58.468697,0.00415817);(58.696389,0.00399813);(58.784007,0.00287056);(58.830725,0.0026987);(59.012492,0.67425505);(60.238078,0.00312664);(61.014948,0.00357851);(61.418659,0.00334532);(61.777446,0.00353817);(61.987008,0.14605012);(62.181542,0.00309551);(63.098252,0.00301434);(63.835195,0.00362191);(64.061517,0.00311364);(64.624338,0.00380613);(65.038333,0.02028705);(66.451183,0.00301741);(66.744176,0.00332302);(67.017587,0.34118385);(67.149083,0.00274864);(67.601097,0.00418827);(67.900804,0.00373854);(68.375775,0.00390032);(68.505523,0.0032713);(68.859843,0.00403474);(68.996838,0.0259277);(69.033229,0.10803296);(69.09321,0.00310927);(69.735642,0.00345069);(70.442419,0.00387946);(71.012512,0.04158121);(71.048863,0.04181355);(71.081349,0.0033035);(71.42986,0.00360204);(71.981778,0.00325165);(72.973588,0.00305695);(72.991715,0.01843695);(73.090736,0.00437305);(73.723358,0.00403153);(74.534162,0.00415495);(75.673381,0.00355169);(76.006855,0.00416497);(76.21562,0.00436903);(76.375861,0.00527768);(76.657807,0.00295218);(78.855287,0.00399693);(79.053977,0.11154431);(79.147838,0.00307016);(79.827189,0.00390704);(80.565183,0.00401833);(81.033254,0.07177471);(83.04885,0.1042239);(83.846261,0.00343206);(84.393598,0.00414781);(85.241053,0.00349171);(88.741665,0.00315726);(89.561439,0.00306103);(91.054004,0.08031462);(93.033279,0.08424841);(93.06943,0.00563708);(94.654528,0.00356631);(95.012508,0.03663721);(95.048909,0.14248042);(95.193027,0.00365409);(96.269948,0.00369198);(98.01852,0.00329726);(98.977982,0.00366978);(99.597752,0.00416654);(99.92447,0.01036917);(100.110596,0.00360027);(100.770399,0.003029);(102.127246,0.00367883);(102.791936,0.00356455);(105.069704,0.06362961);(105.509296,0.00385166);(105.618139,0.00275673);(106.041122,0.03728626);(106.272792,0.00314201);(106.745931,0.00387074);(107.045289,0.00400306);(107.048953,0.34341856);(108.020416,0.04512248);(108.052105,0.0033445);(108.521316,0.00359645);(109.028123,0.03715839);(109.064634,0.11202067);(111.04386,0.12753088);(111.302366,0.00407272);(112.535656,0.00329043);(112.942359,0.00335344);(113.910704,0.00331731);(115.22744,0.00331737);(117.069695,0.02996794);(118.143999,0.00348171);(118.402936,0.00306041);(119.048994,0.14766519);(119.085457,0.05747602);(119.854827,0.00386435);(120.056775,0.02832195);(121.028178,0.01297856);(121.064728,0.2504331);(122.036215,0.01159558);(123.04392,0.06676023);(123.080512,0.02036931);(123.562095,0.00485605);(123.754631,0.00289642);(124.04712,0.0029003);(125.749003,0.00294004);(125.946168,0.00376135);(126.903793,0.06515418);(128.416915,0.00305333);(129.069738,0.02241218);(129.080797,0.00392575);(130.041186,0.00517691);(130.167533,0.00330218);(131.049096,0.04918768);(131.085366,0.01932993);(132.057187,0.0075539);(133.027025,0.00391717);(133.064787,0.21168373);(134.0362,0.00823815);(135.043959,0.09572713);(135.080373,0.40820721);(136.08407,0.00384284);(137.0597,0.00487697);(137.096042,0.00358478);(139.277434,0.00393328);(141.069862,0.0042473);(142.467298,0.00395928);(143.049382,0.02408818);(143.085729,0.01814686);(144.056971,0.02608373);(145.064835,0.38076568);(145.101516,0.00385205);(146.068167,0.00486206);(147.044095,0.07962344);(147.080427,0.32416272);(147.160669,0.00415318);(147.82223,0.00418019);(147.86453,0.00363257);(149.05994,0.02815016);(149.096128,0.00683527);(149.764342,0.00334983);(150.892296,0.00350398);(154.360211,0.00363325);(154.699143,0.00478187);(155.085786,0.01011338);(155.77681,0.00429234);(156.056893,0.01070183);(157.064801,0.1564143);(157.101141,0.00494242);(158.067692,0.00416047);(159.04439,0.00847466);(159.080561,0.20047234);(160.052042,0.04120378);(160.673183,0.00360862);(161.060074,0.01632336);(161.096317,0.01894356);(161.590326,0.00380285);(163.075648,0.03875394);(169.064814,0.04225844);(169.101519,0.01077459);(170.072242,0.00494632);(171.044332,0.00370835);(171.080611,0.33249337);(172.052147,0.0127454);(172.083464,0.0038134);(173.059971,0.09149725);(173.096281,0.10034585);(175.07543,0.10671143);(175.111948,0.03022109);(178.093573,0.00389473);(179.094775,0.00315954);(179.219313,0.00396194);(181.064715,0.00687747);(181.101621,0.0096298);(183.011364,0.00883199);(183.044277,0.00896087);(183.080683,0.1497507);(184.052258,0.02582321);(184.088702,0.01956826);(185.060052,0.04490543);(185.096544,0.03117996);(186.067879,0.03980601);(187.0755,0.03798202);(187.112029,0.00333236);(187.359992,0.00347141);(193.065238,0.0038836);(193.10161,0.00463325);(195.080644,0.02395439);(197.059974,0.0531179);(197.096476,0.20209143);(197.918974,0.00409315);(198.100355,0.00484369);(198.291781,0.00331525);(199.075755,0.08574945);(199.112186,0.21278073);(200.114532,0.00389253);(201.091333,0.41616049);(201.128175,0.00831108);(202.094749,0.01436372);(205.395284,0.00440505);(207.080707,0.02688282);(208.088144,0.00769496);(208.975418,0.0044486);(209.060891,0.01158796);(209.09673,0.11403241);(209.269223,0.00381932);(209.551457,0.00336418);(209.586926,0.00311687);(210.067985,0.04231463);(210.807505,0.00333428);(211.075572,0.01232858);(211.112414,0.0042896);(212.873235,0.00332733);(213.091489,0.00535401);(220.088191,0.00389526);(220.927463,0.0086861);(220.942109,0.01835219);(220.9677,0.01374689);(220.980953,0.01105919);(220.98875,0.01511149);(221.096626,0.0256284);(221.338674,0.00360336);(223.075766,0.04860772);(223.112871,0.01388406);(224.080558,0.00410216);(225.091682,0.17624005);(225.128494,0.0037279);(226.09466,0.0036323);(227.107076,0.00684854);(229.1229,0.03587167);(231.029548,0.00464653);(231.283391,0.00447823);(233.097032,0.06907667);(234.067983,0.03345788);(235.075734,0.01024714);(235.112527,0.03720327);(236.055758,0.0043534);(236.114843,0.00430901);(237.092228,0.0214665);(245.276315,0.0035657);(247.111893,0.00882502);(249.091883,1.0);(249.128892,0.00495561);(250.09562,0.16195895);(258.950858,0.00419118);(261.091682,0.02105945);(273.581461,0.00487718);(275.10755,0.00444472);(275.177248,0.0043538);(277.086998,0.03392256);(277.124195,0.00460106);(278.129447,0.00420327);(302.625429,0.00416193);(314.706149,0.00429314);(334.727736,0.00379775);(346.866699,0.00436302);(354.017608,0.00323302);(356.881474,0.00327438);(377.177807,0.00336759);(378.003164,0.00438609);(378.378931,0.00422676);(386.907636,0.00386048);(399.763895,0.00429738);(425.205419,0.00325351);(432.514518,0.00317196);(450.896602,0.00428702);(459.637602,0.00351262);(472.774577,0.00319822)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(54.370941,0.00213728);(54.742649,0.00227416);(55.018663,0.01412782);(55.055013,0.04245108);(55.935298,0.00320141);(56.965571,0.01997617);(57.070659,0.20424681);(58.065943,0.01415094);(59.049927,0.01191637);(59.061152,0.22615136);(59.991012,0.01510217);(61.011405,1.0);(62.014779,0.00629062);(62.019226,0.19635057);(62.982534,0.00216892);(63.007207,0.03879123);(64.978238,0.00251);(67.05494,0.08994201);(68.191081,0.00219178);(69.03422,0.01032756);(69.070606,0.10513956);(70.958594,0.02066573);(71.049904,0.00773594);(71.086233,0.05540854);(71.929956,0.00427965);(72.937904,0.04250548);(73.029181,0.00365111);(73.047562,0.01570772);(79.021871,0.12328917);(79.054834,0.02922034);(80.948411,0.0164629);(81.034119,0.06005754);(81.070471,0.08927242);(82.51724,0.00215063);(83.049724,0.00700082);(83.086129,0.03565776);(85.10172,0.02676845);(85.109736,0.00226252);(87.044574,0.01090575);(88.775286,0.00219957);(88.968934,0.0033529);(88.978669,0.00343421);(89.060222,0.07525279);(89.940485,0.0175966);(89.964272,0.00536369);(90.948298,0.03376507);(91.054772,0.04473392);(91.057855,0.04006225);(93.07036,0.0492755);(95.01328,0.2688907);(95.049672,0.13520496);(95.08602,0.09505321);(96.01666,0.00509267);(97.065209,0.00662716);(97.101617,0.02052775);(97.707364,0.00218781);(98.105669,0.00219788);(98.724448,0.00233516);(98.975821,0.26049526);(99.044473,0.00378662);(101.003644,0.12334176);(102.091607,0.00360838);(104.992682,0.12642579);(105.070272,0.14915093);(106.073644,0.00543236);(107.049497,0.0147888);(107.08592,0.04348696);(107.950775,0.00213921);(109.065116,0.0306342);(109.101543,0.03565074);(111.080717,0.01025498);(116.053082,0.02644858);(116.963629,0.00485465);(116.986242,0.16833206);(117.070082,0.01178557);(118.942998,0.00603029);(119.085816,0.04615864);(121.065093,0.03175442);(121.101476,0.03227938);(123.044541,0.00318407);(123.080652,0.01577897);(123.117012,0.00901177);(127.859246,0.00236571);(128.840047,0.00214199);(128.963655,0.01148324);(129.069986,0.00739714);(130.979232,0.00592318);(131.000511,0.00359411);(131.049242,0.00305961);(131.085629,0.03850407);(132.958443,0.02056614);(132.987369,0.00231375);(133.064889,0.09086801);(133.086098,0.00474096);(133.101289,0.03588063);(134.956287,0.26458034);(134.978917,0.00323793);(134.996568,0.04937462);(135.080487,0.02712682);(135.116904,0.00404873);(137.059816,0.00382);(139.075491,0.00253002);(142.97926,0.00281588);(143.085609,0.02251243);(144.995136,0.00311982);(145.064839,0.04667723);(145.101165,0.02576872);(146.974345,0.02195104);(147.044108,0.0111315);(147.080487,0.02969984);(147.116694,0.03063384);(148.955978,0.01503013);(148.971904,0.31909331);(149.059576,0.00477409);(149.096071,0.00879926);(150.951187,0.35595193);(150.968351,0.03499136);(151.075676,0.00386638);(152.95177,0.04472465);(152.966802,0.14822414);(153.959379,0.0632434);(154.94719,0.01592513);(155.085638,0.00492075);(155.954772,0.02113359);(157.065035,0.00231223);(157.101168,0.02545766);(158.995305,0.00530595);(159.08052,0.02544978);(159.11699,0.01590553);(161.059739,0.33905515);(161.096066,0.01563965);(162.063065,0.01943625);(162.951329,0.00239093);(163.075698,0.0029503);(164.96741,0.004026);(164.987532,0.00274502);(165.036356,0.00696169);(166.98245,0.06629029);(167.05567,0.00905834);(167.085424,0.00596411);(168.917186,0.01282857);(168.961685,0.11049254);(168.98312,0.00967415);(169.064759,0.00419405);(169.101247,0.0192187);(171.080637,0.01933672);(171.117017,0.00782497);(172.115365,0.01141967);(172.99037,0.00241952);(173.01099,0.00472811);(173.096326,0.01308239);(174.005961,0.00763153);(174.990097,0.01405138);(175.075432,0.02906904);(175.111858,0.01282819);(176.967166,0.00940978);(176.988346,0.03761077);(177.054602,0.00415072);(177.93812,0.00628016);(179.022553,0.02120504);(179.051738,0.0091205);(179.085362,0.00300897);(180.649856,0.00218779);(181.100864,0.00736586);(182.977468,0.00412148);(183.080308,0.00264813);(183.116857,0.00657523);(185.059701,0.00365237);(185.096328,0.01786984);(185.949394,0.00564108);(185.961833,0.03238086);(186.878762,0.00438367);(186.927799,0.0560993);(187.005468,0.00368955);(187.075425,0.01973855);(187.112089,0.00977167);(187.999838,0.00231655);(188.021692,0.00431017);(188.915733,0.01437889);(188.924572,0.0146427);(189.005692,0.0146151);(189.054899,0.00326032);(189.209098,0.00232603);(190.96621,0.00937662);(191.001732,0.00799794);(191.964609,0.00289983);(192.961781,0.41564427);(193.101523,0.00592569);(193.881852,0.00209336);(193.964232,0.00926666);(194.957044,0.00344499);(194.961655,0.00451498);(194.999959,0.03326903);(195.080639,0.0081082);(195.11714,0.00525438);(195.948882,0.00249597);(197.096224,0.04688952);(197.974032,0.00769826);(199.075666,0.00387564);(199.111761,0.01220129);(201.020568,0.00344674);(201.091138,0.02446911);(203.021527,0.00237417);(204.888793,0.00529529);(204.962148,0.1712086);(205.049732,0.02209562);(205.963018,0.00711243);(205.98793,0.02256668);(206.926546,0.06236014);(206.977806,0.07521529);(207.116585,0.00227396);(208.926891,0.00250278);(209.096343,0.01384351);(210.185243,0.0020966);(210.972288,0.23371638);(211.075321,0.00977926);(211.112035,0.01699244);(212.971581,0.02710723);(213.091081,0.08400966);(214.095149,0.0028477);(214.133286,0.00390346);(214.149106,0.04495556);(214.156929,0.09530963);(214.169211,0.00976333);(214.968292,0.01331961);(215.089008,0.00248342);(215.106788,0.01098489);(219.174322,0.01644111);(220.903508,0.01635724);(222.898674,0.29739171);(223.111451,0.00596366);(223.900234,0.00244699);(223.929481,0.00520321);(224.898906,0.12046432);(224.937041,0.00636941);(225.04302,0.0754048);(225.090713,0.01044772);(225.127476,0.00725109);(225.897336,0.01035214);(226.042464,0.00297703);(226.89464,0.04878153);(227.106651,0.0060167);(228.889584,0.02489158);(229.052135,0.00743499);(229.896024,0.14555963);(230.926651,0.00652886);(231.896618,0.05703853);(232.883309,0.00756014);(232.894489,0.02185412);(233.891757,0.08694027);(234.899171,0.02812889);(235.063039,0.0044859);(235.111679,0.00837257);(237.057179,0.00330609);(238.913858,0.03920547);(239.107618,0.00335404);(239.901269,0.01207533);(240.877082,0.00306044);(240.909129,0.44625277);(241.051783,0.00212081);(241.911093,0.01325854);(242.896485,0.00312835);(242.909792,0.29420831);(243.067526,0.01085329);(243.907722,0.03880448);(244.884197,0.0531794);(244.905035,0.10954935);(245.892086,0.00874987);(245.907924,0.00298556);(246.900167,0.02930064);(247.111232,0.00627387);(247.906358,0.10687272);(248.878549,0.00629069);(248.898931,0.04029981);(248.936894,0.05455104);(249.078144,0.00410328);(249.127209,0.0069342);(249.907092,0.14619973);(250.893625,0.09857246);(250.906438,0.02503611);(251.107057,0.0021967);(251.142083,0.00253049);(251.903255,0.0539369);(252.876926,0.00232767);(252.892846,0.01425226);(253.088021,0.00814268);(253.901981,0.00916223);(254.925087,0.00519455);(255.067117,0.0025233);(257.08298,0.01429217);(258.898883,0.00571395);(258.99722,0.00828975);(259.999393,0.00287692);(261.127739,0.01049011);(261.906231,0.00683609);(262.894423,0.06725902);(262.913532,0.02118803);(263.093623,0.00492992);(263.107659,0.00227657);(263.885953,0.00679916);(263.901212,0.10547464);(264.909163,0.43182351);(265.121485,0.00339134);(265.911432,0.03813832);(265.939014,0.00327335);(266.909798,0.420695);(266.925004,0.01359057);(266.946549,0.00494011);(267.104014,0.00965382);(267.908157,0.06415821);(268.886492,0.00490605);(268.905074,0.18537651);(269.082656,0.00442566);(269.891732,0.00341398);(269.906584,0.00930803);(270.900108,0.14313777);(271.098474,0.01103148);(271.146642,0.00235596);(271.90022,0.02234604);(272.899582,0.00574048);(272.92099,0.00250281);(272.936225,0.00301121);(274.89404,0.04190121);(274.971622,0.03594771);(275.902043,0.07410394);(276.909944,0.08458214);(277.007947,0.0068928);(277.108371,0.00322387);(277.917402,0.01519173);(278.863597,0.03308006);(278.924774,0.00450802);(279.10368,0.00500414);(279.897251,0.02046202);(279.916471,0.07632999);(280.904248,0.01330185);(280.924354,0.01975584);(281.119594,0.00986023);(281.896502,0.20516634);(281.911969,0.66509332);(282.901292,0.08622616);(282.919316,0.33397219);(283.098446,0.00349224);(283.263227,0.0083154);(283.891844,0.073911);(283.921368,0.03439919);(284.90237,0.01315187);(284.919987,0.48755689);(285.113739,0.01118398);(285.918921,0.07574306);(286.894595,0.16955536);(286.915749,0.1980456);(287.894926,0.03217755);(287.917646,0.00922057);(288.910091,0.07740236);(290.125266,0.00220939);(290.910355,0.04420013);(290.946948,0.04878973);(291.896438,0.01178446);(292.905106,0.01347812);(292.983855,0.0023668);(293.120203,0.00228774);(295.135398,0.00447481);(295.193936,0.00278786);(295.92808,0.0685006);(296.866689,0.00230859);(296.934531,0.00226549);(299.061898,0.04081416);(299.129409,0.00405301);(299.907114,0.017757);(300.910048,0.00457517);(301.826731,0.00431338);(301.847365,0.0022079);(304.905756,0.01344172);(304.924754,0.0182943);(305.11952,0.00389743);(305.140361,0.00252067);(306.919757,0.29614904);(307.135371,0.09590594);(307.921646,0.01765884);(308.138091,0.00676648);(308.9196,0.18640637);(308.936849,0.04869027);(309.15144,0.1038119);(309.918615,0.07481037);(310.154685,0.00658591);(310.915749,0.06979452);(311.166708,0.00842559);(311.294256,0.00624741);(311.831909,0.00231373);(311.91874,0.00614823);(312.838551,0.00611961);(312.913825,0.00743911);(313.204902,0.04102817);(316.904831,0.0347432);(317.821471,0.0230918);(317.840693,0.00380533);(318.921887,0.00465158);(319.836066,0.03241229);(319.858465,0.00216327);(320.866211,0.03044418);(322.899669,0.00649741);(322.915181,0.02078337);(324.930393,0.05001016);(325.145533,0.02439921);(326.93085,0.05659921);(327.078103,0.00900608);(327.161789,0.08072944);(327.92945,0.00942002);(328.163483,0.00392322);(328.183886,0.00322461);(328.833965,0.00715302);(328.906062,0.00358826);(328.925956,0.01142272);(329.177315,0.10820631);(330.180097,0.00777734);(330.921419,0.03189105);(331.134164,0.00357578);(331.215171,0.01655056);(332.936105,0.00919635);(333.150765,0.01995987);(333.816609,0.0034023);(334.821637,0.00275484);(334.843774,0.02553059);(335.166597,0.16205794);(335.831037,0.04039645);(336.168874,0.01351674);(336.838715,0.16582071);(337.182339,0.1760933);(337.844681,0.02485312);(338.185294,0.01594048);(338.877364,0.03899878);(339.197558,0.0349455);(341.23615,0.05976883);(342.239064,0.00248177);(343.193827,0.00230899);(343.269255,0.00413153);(344.829045,0.00622151);(344.866344,0.0167492);(346.900133,0.03991251);(347.188249,0.04253607);(348.899006,0.00542403);(348.952545,0.0091827);(350.946776,0.14025089);(351.847016,0.01108681);(351.94778,0.03499319);(352.94966,0.00383928);(353.176786,0.03379854);(353.841734,0.13619924);(354.84763,0.02457125);(355.19241,0.12673357);(355.213445,0.0092729);(356.193552,0.00766439);(356.215003,0.0046426);(356.848601,0.00612686);(357.208368,0.20225056);(358.211524,0.01948276);(358.843506,0.15048472);(359.245956,0.00836971);(360.838957,0.76017124);(361.279328,0.04871337);(361.840303,0.08607032);(362.28171,0.0099492);(362.839849,0.02617285);(362.876875,0.0707876);(363.278428,0.00419971);(363.878376,0.00227632);(364.834251,0.00857306);(365.062033,0.00438669);(369.836546,0.04811917);(375.218731,0.05380776);(376.85503,0.03492229);(378.849692,0.21934817);(379.851715,0.0262194);(380.887263,0.01117369);(386.72674,0.00235984);(387.847389,0.0073431);(388.833545,0.009225);(389.180292,0.0533623);(390.184224,0.0031488);(394.844751,0.01285368);(400.833721,0.00327951);(402.851815,0.00444422);(406.845347,0.08267689);(407.845129,0.00960922);(415.01337,0.00398986);(417.211984,0.08139752);(418.21534,0.00664514);(418.844372,0.00311106);(419.852311,0.00764615);(420.85755,0.0021521);(421.28217,0.00292786);(435.220954,0.00319297);(436.186424,0.002848);(447.345081,0.00267091);(449.287148,0.00636922);(457.34866,0.00398883);(469.386143,0.01357889);(473.194238,0.0068166);(473.344692,0.09073133);(474.348278,0.00549384)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(51.940747,0.02730522);(52.706379,0.00120289);(53.002971,0.00289529);(53.039349,0.00906581);(53.29471,0.00123361);(55.018616,0.02857154);(55.055004,0.06523649);(55.935172,0.07604317);(55.982962,0.00128485);(56.050204,0.0012127);(56.259832,0.00165787);(56.942972,0.03414103);(56.965564,0.16263367);(57.034315,0.00170919);(57.070661,0.1234094);(57.619107,0.00124639);(57.935555,0.05861968);(58.065868,0.01871354);(59.049858,0.00719303);(59.061154,0.10616098);(59.930982,0.01781967);(59.990982,0.00535216);(61.011402,0.68878099);(62.014782,0.00462852);(62.019242,0.17473977);(62.982416,0.00201189);(63.007209,0.02942625);(63.027012,0.00389692);(63.99845,0.00695865);(64.015071,0.00198492);(64.978179,0.00286056);(65.039334,0.00770306);(67.054972,0.11115948);(68.058253,0.00146186);(69.034202,0.01696113);(69.070599,0.05645229);(69.961711,0.00139864);(70.065749,0.00230227);(70.942422,0.0084422);(70.958585,0.17252484);(70.960595,0.00215795);(71.04973,0.00286499);(71.086221,0.02605507);(71.930004,0.02169115);(71.952553,0.00625902);(72.044974,0.00156311);(72.937823,0.17480045);(73.029021,0.00173535);(73.047457,0.01869979);(74.953488,0.00500375);(75.945995,0.00616698);(77.008978,0.00993842);(79.021888,0.12309525);(79.054829,0.08016154);(80.948479,0.00291869);(81.034083,0.04025324);(81.067938,0.00114014);(81.070502,0.06834697);(82.36123,0.00120978);(83.049748,0.00534963);(83.086103,0.01450157);(84.760101,0.00120303);(84.960465,0.00359109);(85.065366,0.00168844);(85.10175,0.0041441);(86.90928,0.00119141);(86.953374,0.003169);(87.907049,0.0034929);(88.914908,0.00128813);(88.952801,0.00308327);(88.968976,0.0547137);(88.978596,0.00347678);(89.060172,0.00283928);(89.940398,0.03303903);(89.964235,0.00751878);(90.94824,0.1431242);(91.054719,0.10064136);(91.057844,0.0359158);(92.05801,0.00447087);(93.070364,0.04964203);(93.956521,0.00219158);(94.073691,0.00195119);(95.013261,0.18823451);(95.049618,0.07275386);(95.086019,0.04707003);(96.016476,0.00541758);(97.029093,0.00152402);(97.065242,0.00552493);(97.101487,0.0030665);(98.975822,0.28787006);(99.044492,0.00184111);(99.948296,0.00132038);(99.978882,0.00137191);(101.003615,0.00214783);(101.242385,0.00112823);(101.950228,0.00560349);(102.948289,0.01846396);(102.968719,0.00243556);(103.054662,0.02781985);(104.96376,0.00589537);(104.992824,0.00284671);(105.04493,0.00299149);(105.070294,0.1887734);(105.917446,0.00476836);(106.073567,0.01105182);(107.049318,0.01127208);(107.085884,0.02740317);(107.950776,0.01515413);(108.958556,0.01557585);(109.065063,0.01939755);(109.101458,0.01117207);(111.080671,0.0038311);(111.364326,0.00132855);(115.054489,0.01679708);(116.053116,0.00191695);(116.963633,0.02277347);(116.986211,0.22107162);(117.070152,0.02981894);(118.925031,0.00544398);(118.942999,0.01001974);(118.980002,0.0038702);(119.049379,0.00615886);(119.085783,0.04480586);(120.940774,0.04806663);(121.028529,0.00368525);(121.064964,0.01640442);(121.10146,0.00686898);(122.940986,0.01745808);(123.080381,0.0035294);(124.936224,0.00238654);(125.961237,0.00209807);(126.984232,0.01361698);(128.062151,0.01993966);(128.193033,0.001393);(128.963685,0.03961482);(129.070014,0.03098039);(130.979116,0.01736549);(130.990304,0.00379292);(131.000282,0.01536008);(131.04921,0.01124789);(131.085724,0.02941418);(131.961614,0.00396375);(131.97442,0.00208943);(132.958233,0.10590915);(132.995598,0.00265053);(133.064858,0.04764595);(133.101256,0.01580979);(133.948564,0.0110568);(134.956282,0.15220774);(134.974033,0.006425);(134.979117,0.00118876);(134.989255,0.00184504);(134.996591,0.06980956);(135.080381,0.00484397);(135.927651,0.00548453);(135.966584,0.00120712);(136.935701,0.00119846);(136.95299,0.00325529);(137.01165,0.00263597);(137.928013,0.0081876);(138.950997,0.02391641);(138.984056,0.00429776);(140.984296,0.00442537);(140.999804,0.00531404);(141.069914,0.016958);(142.077731,0.0129459);(142.979184,0.01627578);(143.000061,0.00833268);(143.085495,0.01780517);(144.95848,0.02255052);(144.994668,0.01826902);(145.064782,0.0237781);(145.101266,0.0178102);(145.966531,0.00476951);(146.974298,0.09184598);(147.010766,0.00200308);(147.04394,0.00325903);(147.080545,0.00633036);(147.116565,0.00503176);(147.974704,0.00721216);(148.955906,0.00736508);(148.971872,0.24618063);(148.989729,0.01498803);(149.023936,0.00182731);(149.960981,0.00330535);(149.971886,0.00422112);(150.951165,0.1910645);(150.968736,0.1365955);(151.020454,0.02151368);(151.95909,0.00348986);(151.970206,0.00130425);(152.951694,0.03026384);(152.966822,0.09479226);(153.06965,0.00338289);(153.93795,0.00184075);(153.959368,0.10491169);(153.966752,0.00258802);(154.077723,0.00260327);(154.946998,0.01320103);(154.978691,0.00176121);(155.02231,0.00224836);(155.085471,0.0172758);(155.954774,0.04220428);(156.093472,0.00516439);(156.995024,0.00565731);(157.064741,0.00438693);(157.101336,0.01347781);(157.952241,0.00175078);(158.973987,0.0037131);(159.010598,0.00908781);(159.080503,0.01244702);(159.117056,0.00258987);(160.989624,0.00192328);(161.059692,0.0590867);(162.062422,0.0017188);(162.968659,0.0062599);(163.005407,0.00174491);(163.020477,0.0018162);(163.976778,0.00630752);(164.915814,0.00493706);(164.967141,0.00245717);(164.985732,0.00145915);(164.999773,0.01348007);(165.036166,0.02259066);(165.069936,0.01174542);(165.938762,0.00132317);(166.077876,0.00313166);(166.966398,0.00164803);(166.982524,0.04710835);(167.085625,0.01068545);(168.917443,0.00177976);(168.961639,0.04710842);(168.994654,0.00239798);(169.064735,0.00493422);(169.101227,0.01244451);(170.962183,0.00408279);(171.080541,0.01045353);(171.117003,0.00221489);(171.904227,0.0076782);(172.989795,0.00195903);(173.095823,0.00282868);(174.006074,0.00305218);(174.990058,0.0045858);(175.074913,0.00377434);(176.985222,0.00233693);(177.938226,0.01477705);(178.493399,0.00123677);(178.892695,0.00507884);(178.97906,0.00394187);(179.022867,0.00260485);(179.051722,0.0131105);(179.085486,0.01713346);(180.888091,0.10572405);(180.994711,0.00273229);(181.064465,0.00219758);(181.101268,0.00668812);(182.888538,0.02627794);(182.926583,0.00176327);(183.010303,0.00177204);(183.080629,0.00324265);(183.116798,0.00206139);(183.981104,0.00180898);(184.883883,0.00426277);(184.989914,0.0050029);(185.09586,0.00341833);(185.948986,0.0219837);(186.878177,0.00360984);(186.927706,0.01169567);(187.00522,0.00356804);(187.075018,0.00166085);(187.944652,0.00820103);(188.878222,0.0012662);(188.915969,0.02565265);(188.924611,0.0041247);(189.005398,0.00260962);(189.0364,0.00218433);(189.887814,0.00123018);(190.948831,0.00187688);(191.000508,0.00114616);(191.051493,0.00141538);(191.880784,0.01418574);(192.961819,0.02714989);(192.99473,0.00627138);(193.10114,0.00767925);(193.534167,0.00121262);(195.080473,0.00630139);(195.116863,0.001296);(195.948782,0.01705005);(197.095978,0.00304548);(197.875669,0.03316968);(197.891017,0.00903673);(198.246583,0.00132893);(198.898797,0.00846866);(199.005038,0.00310423);(199.871185,0.00627355);(199.891276,0.00936123);(200.899871,0.00253684);(201.090673,0.00188463);(202.077242,0.00113554);(202.894502,0.00114254);(203.085186,0.00265801);(203.881286,0.00235167);(204.888845,0.02429927);(204.931424,0.00241369);(205.101068,0.00166073);(205.987712,0.00552083);(206.867805,0.00360822);(206.888823,0.00806281);(206.926485,0.08312188);(206.977538,0.0137634);(207.010509,0.00167575);(207.08051,0.00212739);(207.116731,0.00242354);(207.87595,0.01274202);(208.883713,0.02918184);(208.959734,0.01789406);(209.095849,0.00405089);(209.891666,0.02231317);(210.921253,0.00249426);(210.972112,0.01382039);(211.891354,0.00114411);(213.079113,0.00111473);(213.090902,0.01674729);(213.886196,0.00389616);(214.893548,0.00822152);(215.886264,0.00281639);(215.900755,0.00167964);(216.854168,0.00116061);(217.101086,0.00231029);(217.882601,0.00138684);(218.868138,0.01143093);(218.927009,0.00133177);(219.080198,0.00353416);(219.115968,0.00169317);(219.174171,0.00227491);(220.088265,0.00155383);(220.832831,0.00179221);(220.850943,0.00581539);(220.867886,0.00589462);(220.884068,0.00544808);(220.903153,0.06750143);(221.096273,0.00288871);(221.902024,0.0047268);(222.898715,0.61814013);(223.900535,0.0337658);(224.878863,0.00859827);(224.899105,0.14791948);(224.936798,0.01492119);(225.042972,0.0374164);(225.885927,0.0261944);(225.897372,0.0243069);(226.894863,0.06665579);(227.021912,0.0102131);(227.03753,0.00268825);(227.051557,0.00126905);(227.900369,0.00154764);(228.890135,0.01886406);(229.101148,0.00165252);(229.896137,0.07214582);(230.898984,0.00210089);(231.896999,0.01264944);(232.883478,0.00299936);(232.894445,0.00216343);(232.959497,0.00112185);(233.89131,0.0408299);(234.899495,0.0301906);(235.111563,0.00331965);(236.914732,0.00881555);(237.922485,0.00190191);(238.893622,0.00246769);(238.913889,0.11009048);(239.886545,0.0513835);(239.900838,0.02934815);(239.913149,0.01403959);(240.713955,0.00111383);(240.909172,1.0);(241.05288,0.00174806);(241.88185,0.01853754);(241.910996,0.0685148);(242.909704,0.39223105);(243.907732,0.0774549);(244.883995,0.0435402);(244.904935,0.14509868);(245.907057,0.00877448);(246.103521,0.00124837);(246.903599,0.02360271);(247.90619,0.06626754);(248.878605,0.01258596);(248.902273,0.00662373);(249.907145,0.03760401);(250.893532,0.01664033);(250.905615,0.01117833);(250.970677,0.00197302);(251.902411,0.00743207);(253.067891,0.00153935);(253.901656,0.00148779);(253.917001,0.00689803);(254.925008,0.02079567);(255.066637,0.00227846);(255.082575,0.00128479);(255.896757,0.0035691);(256.505826,0.00114115);(256.925447,0.00530607);(257.082901,0.00210139);(257.896844,0.04626087);(258.895553,0.0020294);(259.892412,0.01107595);(262.894574,0.06184864);(262.912244,0.00194977);(263.901578,0.01298654);(263.925238,0.00171867);(264.909167,0.03403983);(266.888503,0.00375061);(266.909228,0.01132589);(266.925855,0.00460192);(266.998625,0.00453331);(268.904245,0.00155491);(268.978085,0.00176944);(269.083084,0.00301378);(269.820245,0.0012414);(275.90232,0.00593328);(277.005258,0.00271304);(278.862509,0.00182502);(279.896625,0.01103855);(279.916582,0.00462314);(280.813008,0.00387134);(281.09916,0.00403519);(281.896492,0.05781239);(281.91195,0.08593775);(282.895678,0.00317085);(282.91904,0.01763191);(283.892216,0.02411509);(284.919685,0.00989632);(285.815462,0.00519466);(287.831246,0.00597973);(294.827984,0.00122584);(295.928542,0.00218363);(296.808509,0.00119875);(296.866633,0.00371171);(297.816389,0.00605946);(299.81378,0.00124592);(299.907588,0.00442889);(302.818135,0.01328855);(302.964493,0.00117945);(304.905548,0.0012289);(307.135227,0.00977471);(308.138646,0.00187228);(308.936128,0.0147716);(309.817388,0.00163773);(310.823941,0.00347866);(310.843401,0.00771913);(311.831067,0.01651843);(312.838905,0.06327621);(317.822005,0.0019748);(317.841195,0.00638895);(318.684827,0.00112677);(319.836045,0.06452744);(320.837411,0.0015214);(320.86706,0.00234889);(321.873252,0.00158375);(322.824523,0.00315993);(323.831442,0.00477083);(324.822479,0.00186848);(325.830423,0.00600913);(326.818228,0.01391425);(327.825877,0.05480285);(328.833708,0.02357786);(329.841153,0.00559548);(331.135653,0.00310626);(333.151397,0.00358634);(333.81565,0.00212778);(334.843148,0.00239998);(335.166877,0.01181597);(335.780718,0.00113209);(335.830649,0.00395432);(335.851929,0.00532197);(336.838772,0.04321521);(337.846541,0.03722328);(338.849681,0.00114086);(339.198855,0.00112218);(342.833042,0.00718886);(344.828532,0.07828166);(345.582465,0.0013853);(351.82558,0.00413644);(353.177075,0.00157444);(353.840927,0.01512878);(354.848726,0.00522036);(356.344777,0.00133789);(358.844044,0.00332177);(360.838753,0.03054858);(361.279504,0.0092761);(365.840145,0.00204693);(367.840971,0.01443224);(369.836633,0.09696222);(370.838262,0.0057305);(378.849632,0.00344563);(385.852646,0.00147611);(387.846745,0.02430367);(389.436247,0.00128318);(447.34583,0.00590154)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(69.03403978,0.2479997712);(77.06025453,1.193053175);(97.0289544,0.9507867746);(167.0708192,0.5237007114);(249.112684,0.2402643732);(251.1283341,0.3737989898);(259.097034,0.6486642848);(261.112684,0.3998543126);(265.1439842,0.4843468906);(359.185849,0.3110699212);(385.1651135,1.136592387);(399.1443781,1.910170526);(401.1600281,0.9091957735);(403.1756782,4.912847412);(411.1443781,0.9540061421);(411.1807636,6.233422168);(413.1600281,0.4105846816);(423.1807636,0.9038857936);(423.1807636,0.8663761767);(425.1964136,3.394905461);(427.1756782,0.6202478591);(427.2120637,3.512247937);(429.1549428,0.4745542601);(429.1913283,0.3631297142);(435.1807636,1.522632384);(439.1756782,0.9224979281);(441.1913283,1.433610685);(453.1913283,5.499598438);(453.1913283,14.76512971);(455.1705928,1.034919192);(471.201893,42.84590617)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(97.0289544,1.783328653);(207.0657338,2.512199609);(209.0813839,2.418547856);(249.112684,1.838950732);(251.1283341,1.787430154);(259.097034,1.389911085);(261.112684,1.681351312);(265.1439842,1.501634655);(339.1232487,6.932795863);(341.1388988,2.139412072);(343.1545488,1.947203711);(359.185849,1.576899289);(363.1443781,2.355503807);(375.1807636,1.715219511);(385.1651135,1.533179623);(403.1756782,2.814660488);(409.128728,3.020481758);(411.1443781,9.785353175);(413.1600281,6.838578087);(423.1807636,1.455839056);(425.1964136,1.973803314);(427.1392927,4.557996005);(427.2120637,2.502209317);(429.1549428,7.030444325);(431.1705928,2.450692316);(439.1756782,2.989763677);(441.1913283,2.209548498);(453.1913283,2.158321802);(453.1913283,7.086850253);(455.1705928,2.520388416);(471.201893,7.491501578)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(47.04968984,1.726037637);(51.0234751,4.805788865);(53.03912516,2.882348544);(67.05477522,2.193623248);(69.03403978,2.825642711);(83.04968984,5.643288387);(85.06533991,5.156893441);(87.08098997,2.122855912);(97.0289544,9.690122515);(99.04460446,3.627641376);(101.0602545,2.226340493);(103.0759046,1.834220757);(109.0653399,5.295576855);(151.0395191,2.826240465);(153.0551691,1.49643664);(167.0708192,4.915770892);(205.0864693,1.974926529);(247.097034,7.945477585);(249.112684,2.74925448);(251.1283341,1.596065145);(259.097034,1.55485462);(261.112684,2.383964549);(263.1283341,1.539005389);(275.1283341,2.86052827);(359.185849,4.295996847);(385.1651135,3.551777418);(427.1756782,1.698222778);(435.1807636,2.039495788);(441.1913283,1.917726586);(453.1913283,2.34166154);(455.1705928,2.282213738)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.2470216405);(41.03912516,0.8576278335);(57.03403978,0.7513160821);(59.01330434,0.1539051532);(67.01838972,2.015912763);(81.03403978,0.3907631333);(95.01330434,0.6492943491);(343.1545488,0.1745179379);(379.1909343,0.52307594);(381.1701989,0.2525475256);(381.2065844,6.754847384);(383.185849,0.4286800082);(395.185849,0.9896250997);(407.185849,0.1147626548);(407.185849,1.03316109);(409.1651135,0.5626251185);(421.1651135,0.6606065392);(421.1651135,1.327520058);(423.1443781,0.118731052);(423.1807636,3.649100134);(425.1600281,0.5443316373);(425.1964136,43.55768313);(427.1756782,0.8145111739);(429.1549428,0.113277288);(437.1600281,0.3256491284);(439.1756782,0.8313505463);(439.1756782,0.258309617);(451.1756782,0.5972427473);(451.1756782,2.215668755);(453.1549428,0.1630447299);(469.1862429,28.92328975)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(41.00273965,2.06849333);(59.01330434,1.659080952);(67.01838972,4.722659884);(73.0289544,0.677517076);(95.01330434,1.1308319);(329.1752843,1.257076371);(373.1651135,5.645061968);(381.2065844,2.248340421);(395.1494635,1.922461429);(395.185849,0.7374422783);(395.185849,0.6961650856);(401.1600281,1.132770251);(407.185849,1.831529288);(409.1651135,1.106723184);(411.1443781,1.138177144);(413.1600281,1.08972093);(421.1651135,0.9159141379);(423.1443781,1.955653204);(423.1807636,4.605352055);(425.1600281,2.033855557);(425.1964136,17.53358924);(427.1756782,1.550552984);(427.1756782,1.365555772);(437.1600281,2.009517356);(439.1756782,0.8230330269);(439.1756782,4.626479948);(451.1756782,10.01182609);(451.1756782,4.778949078);(453.1549428,1.048240761);(453.1549428,1.313929647);(469.1862429,16.36349965)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,3.910288952);(45.03403978,3.506787995);(53.00273965,2.131917029);(65.00273965,2.79008862);(67.01838972,4.790262276);(95.01330434,15.81536695);(97.0289544,2.288529289);(147.0446045,1.704090029);(191.0344337,3.519355176);(205.0500838,1.467521306);(377.1388988,1.258536851);(379.1545488,2.907977577);(379.1909343,1.700007083);(381.1338134,2.351916757);(381.1701989,2.808762955);(381.2065844,2.324422386);(383.185849,6.555634987);(383.185849,1.590070838);(385.1651135,2.007553783);(391.1545488,2.038655905);(393.1338134,3.779559916);(393.1701989,3.663899885);(395.1494635,5.746966602);(395.185849,1.407525025);(395.185849,1.804309814);(397.1651135,5.167991892);(407.1494635,1.461056644);(409.1651135,4.384520663);(411.1443781,1.234929146);(437.1600281,1.470978436);(451.1756782,2.41051523)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(453.19078,31.08);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(81.03349,6.62);(165.05462,3.07);(165.05462,3.07);(167.07027,4.45);(167.07027,4.45);(167.07027,4.45);(167.07027,4.45);(167.07027,4.45);(195.06519,3.43);(195.06519,3.43);(207.06519,4.88);(207.06519,4.88);(207.06519,4.88);(207.06519,4.88);(207.06519,4.88);(207.06519,4.88);(209.08084,4.23);(209.08084,4.23);(209.08084,4.23);(209.08084,4.23);(209.08084,4.23);(209.08084,4.23);(209.08084,4.23);(257.08084,3.59);(257.08084,3.59);(257.08084,3.59);(257.08084,3.59);(259.09649,5.95);(259.09649,5.95);(259.09649,5.95);(259.09649,5.95);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(261.11214,5.49);(263.12779,10.91);(263.12779,10.91);(263.12779,10.91);(263.12779,10.91);(263.12779,10.91);(263.12779,10.91);(343.154,6.65);(343.154,6.65);(375.18022,3.71);(375.18022,3.71);(387.14383,4.64);(407.1853,7.83);(407.1853,7.83);(407.1853,7.83);(411.18022,3.02);(411.18022,3.02);(411.18022,3.02);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(423.18022,3.2);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(425.19587,53.66);(427.17513,3.58);(427.17513,3.58);(427.21152,17.89);(427.21152,17.89);(427.21152,17.89);(427.21152,17.89);(427.21152,17.89);(427.21152,17.89);(427.21152,17.89);(427.21152,17.89);(427.21152,17.89);(435.18022,4.22);(435.18022,4.22);(435.18022,4.22);(439.17513,4.87);(439.17513,4.87);(439.17513,4.87);(439.17513,4.87);(439.17513,4.87);(439.17513,4.87);(439.17513,4.87);(439.17513,4.87);(439.17513,4.87);(441.19078,6.45);(441.19078,6.45);(441.19078,6.45);(441.19078,6.45);(441.19078,6.45);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(443.20643,9.07);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(453.19078,36.28);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(469.18569,4.96);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0);(471.20134,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03858,15.75);(81.03349,26.01);(83.04914,10.77);(83.04914,10.77);(83.04914,10.77);(83.04914,10.77);(121.06479,16.54);(167.07027,22.35);(167.07027,22.35);(167.07027,22.35);(167.07027,22.35);(167.07027,22.35);(169.08592,14.53);(169.08592,14.53);(169.08592,14.53);(169.08592,14.53);(169.08592,14.53);(179.07027,26.53);(179.07027,26.53);(179.07027,26.53);(181.08592,25.55);(181.08592,25.55);(181.08592,25.55);(183.10157,33.36);(185.11722,16.75);(185.11722,16.75);(207.06519,17.08);(207.06519,17.08);(207.06519,17.08);(207.06519,17.08);(207.06519,17.08);(207.06519,17.08);(209.08084,19.68);(209.08084,19.68);(209.08084,19.68);(209.08084,19.68);(209.08084,19.68);(209.08084,19.68);(209.08084,19.68);(219.06519,11.13);(219.06519,11.13);(219.06519,11.13);(221.08084,18.61);(221.08084,18.61);(221.08084,18.61);(221.08084,18.61);(221.08084,18.61);(221.08084,18.61);(221.08084,18.61);(259.09649,14.12);(259.09649,14.12);(259.09649,14.12);(259.09649,14.12);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(261.11214,100.0);(263.12779,24.76);(263.12779,24.76);(263.12779,24.76);(263.12779,24.76);(263.12779,24.76);(263.12779,24.76);(265.14344,12.16);(265.14344,12.16);(289.10705,15.77);(289.10705,15.77);(289.10705,15.77);(289.10705,15.77);(289.10705,15.77);(289.10705,15.77);(289.10705,15.77);(289.10705,15.77);(399.18022,13.76);(413.15948,33.22);(413.15948,33.22);(413.15948,33.22);(413.15948,33.22);(413.15948,33.22);(413.15948,33.22);(413.15948,33.22);(413.15948,33.22);(425.15948,53.78);(425.15948,53.78);(425.15948,53.78);(427.17513,11.71);(427.17513,11.71);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(429.15439,37.41);(439.17513,13.62);(439.17513,13.62);(439.17513,13.62);(439.17513,13.62);(439.17513,13.62);(439.17513,13.62);(439.17513,13.62);(439.17513,13.62);(439.17513,13.62);(441.19078,23.86);(441.19078,23.86);(441.19078,23.86);(441.19078,23.86);(441.19078,23.86);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(443.20643,21.16);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(453.19078,51.33);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(469.18569,25.32);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33);(471.20134,34.33)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(425.19696,100.0);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05);(469.18679,18.05)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(397.16566,13.87);(411.14493,18.37);(411.14493,18.37);(411.14493,18.37);(425.16058,4.85);(425.16058,4.85);(425.16058,4.85);(425.16058,4.85);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(425.19696,48.41);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(441.19188,14.3);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(451.17623,4.89);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,12.66);(57.03459,8.28);(67.01894,7.64);(67.01894,7.64);(165.05572,7.37);(165.05572,7.37);(167.07137,12.37);(167.07137,12.37);(191.03498,12.64);(279.16018,8.64);(279.16018,8.64);(279.16018,8.64);(343.1551,24.23);(343.1551,24.23);(343.1551,24.23);(343.1551,24.23);(343.1551,24.23);(343.1551,24.23);(343.1551,24.23);(343.1551,24.23);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(345.17075,32.19);(395.15001,7.0);(395.15001,7.0);(395.15001,7.0);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(397.16566,13.71);(409.12928,11.31);(409.16566,21.71);(409.16566,21.71);(411.14493,32.79);(411.14493,32.79);(411.14493,32.79);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(411.18131,37.45);(423.14493,7.68);(425.16058,25.84);(425.16058,25.84);(425.16058,25.84);(425.16058,25.84);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(425.19696,22.55);(427.17623,9.51);(427.17623,9.51);(427.17623,9.51);(427.17623,9.51);(427.17623,9.51);(427.17623,9.51);(437.16058,26.72);(437.16058,26.72);(437.16058,26.72);(439.17623,22.45);(439.17623,22.45);(439.17623,22.45);(439.17623,22.45);(439.17623,22.45);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(441.19188,25.91);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(451.17623,8.54);(453.15549,6.19);(453.15549,6.19);(453.15549,6.19);(453.15549,6.19);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(467.17114,71.81);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0);(469.18679,100.0)

Food Sources

Name	Group
Grapefruit	Fruit, Citrus	Publications	Show
Sour orange	Fruit, Citrus	Publications	Show
Sweet orange	Fruit, Citrus	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Limonin Glucoside	Citrus fruits and Juices	Fruit, Citrus	Publications	Show
Limonin Glucoside	Grapefruit	Fruit, Citrus	Publications	Show
Limonin Glucoside	Mandarin orange (Clementine, Tangerine)	Fruit, Citrus	Publications	Show
Limonin Glucoside	Sweet orange	Fruit, Citrus	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Limonin Glucoside		Limonin	human	plasma	host metabolism	5h-8h	<20 nmol/L	Not Available	C₂₆H₃₀O₈	470.194067926	Detailed Intervention Studies	Publications

Inter-Individual Variations in Metabolism

Food Phytochemical	Metabolite	Effect	Value
Limonin Glucoside	Limonin	Age	No effect	Publications
Limonin Glucoside	Limonin	Bmi	No effect	Publications
Limonin Glucoside	Limonin	Ethnicity	Not studied
Limonin Glucoside	Limonin	Genotype	Not studied
Limonin Glucoside	Limonin	Health_status	Not studied
Limonin Glucoside	Limonin	Microbiota	Not studied
Limonin Glucoside	Limonin	Sex	No effect	Publications
Limonin Glucoside	Limonin	Smoking	Not studied

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Showing entry for Limonin