PhytoHub: Showing entry for Sitosterol

Sitosterol

Identification

PhytoHub ID

PHUB001740

Name

Sitosterol

Systematic Name

Not Available

Synonyms

(-)-β-Sitosterol
22,23-Dihydrostigmasterol
24α-Ethylcholesterol
Azuprostat
Cupreol
Nimbosterol
Triastonal
α-Dihydrofucosterol
β-Sitosterin

CAS Number

83-46-5

Average Mass

414.718

Monoisotopic Mass

414.38616623

Chemical Formula

C₂₉H₅₀O

IUPAC Name

(1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol

InChI Key

KZJWDPNRJALLNS-VJSFXXLFSA-N

InChI Identifier

InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.84e-05 g/l
LogS (ALOGPS): -7.35
LogP (ALOGPS): 7.27
Hydrogen Acceptors: 1
Hydrogen Donors: 1
Rotatable Bond Count: 6
Polar Surface Area: 20.23
Refractivity: 129.76609999999997
Polarizability: 54.3309108678763
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -1.397243770292629
pKa (strongest acidic): 18.20428950550382
Number of Rings: 4
Rule of Five: No
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: Yes
MDDR-like Rule: Yes

External Links

ChEBI: CHEBI:27693

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Phytosterols
Sub-class: Not Available

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(55.017539,0.00525948);(57.033193,0.04561676);(59.004027,0.00438947);(59.01244,1.0);(60.015789,0.03268486);(60.991729,0.00569995);(61.016667,0.00505514);(61.986958,0.39096197);(63.96105,0.05200359);(67.017541,0.00259805);(68.996814,0.00538675);(69.033218,0.03746959);(71.012465,0.03428641);(71.048871,0.08827184);(72.991744,0.02367831);(73.028145,0.08299152);(75.007413,0.04643616);(78.984562,0.13595444);(79.955992,0.04786524);(80.963851,0.01640443);(80.98034,0.00577298);(81.033256,0.02903823);(83.0125,0.01130669);(83.048883,0.17030998);(84.052266,0.02207818);(85.028147,0.11713712);(85.064544,0.0203437);(86.031536,0.00273503);(87.007459,0.01662642);(87.043803,0.0691353);(88.047132,0.00290325);(89.023082,0.04018727);(90.932165,0.00432678);(92.926796,0.0074598);(93.033154,0.00356854);(94.923861,0.00287037);(94.979536,0.31269995);(95.012525,0.00369701);(95.048888,0.01873343);(96.95877,0.18057088);(96.975272,0.0072857);(97.028197,0.03091396);(97.064558,0.03498691);(97.999701,0.00336364);(98.954631,0.01427269);(99.007518,0.03818189);(99.04386,0.02915528);(99.080289,0.01931488);(99.924505,0.02540549);(100.932341,0.00835173);(101.023104,0.0187786);(101.059481,0.02705878);(102.054738,0.00609055);(103.00242,0.00278942);(103.038729,0.00231893);(104.034084,0.00233467);(107.048988,0.00966081);(109.028301,0.00870668);(109.06463,0.04070284);(110.974497,0.02873022);(111.007642,0.00639133);(111.043861,0.02231093);(111.080253,0.03375864);(112.051745,0.00421802);(112.083776,0.00239254);(113.023279,0.01536632);(113.059545,0.01461602);(113.096023,0.00988673);(114.023452,0.00366672);(115.019592,0.0141413);(115.038799,0.01587028);(115.075211,0.03437518);(115.919485,0.06643089);(116.078599,0.00248392);(116.919791,0.00653871);(116.927302,0.05870788);(116.938471,0.00378369);(117.054569,0.00245609);(117.927543,0.00372063);(119.945999,0.00558745);(121.028292,0.01645195);(121.064838,0.00544361);(123.044111,0.00937882);(123.080401,0.01385942);(125.023325,0.00885005);(125.059631,0.01486791);(125.096006,0.03953454);(125.980105,0.00309233);(126.099454,0.00389549);(127.038953,0.0132368);(127.075297,0.01725613);(127.111727,0.00586554);(127.872616,0.00668271);(128.03419,0.01557766);(128.870404,0.01053864);(128.87692,0.0027506);(129.018285,0.00298658);(129.054696,0.01006063);(129.09106,0.00690591);(129.869113,0.03387212);(130.867471,0.00627282);(130.94299,0.01339673);(131.033883,0.00425558);(131.865363,0.00559225);(133.064866,0.00226614);(135.04407,0.00370968);(135.080501,0.00572609);(137.023427,0.00270232);(137.059826,0.0097631);(137.096255,0.00804244);(139.03935,0.00388197);(139.075485,0.01094355);(139.111739,0.01499959);(141.054854,0.00499834);(141.091093,0.00868757);(141.12754,0.00262716);(142.979851,0.01073111);(143.07035,0.00673777);(143.106796,0.00847157);(145.049724,0.00788939);(149.096192,0.00462932);(151.075691,0.00524228);(151.112026,0.00430218);(152.938625,0.00238127);(153.054893,0.00523248);(153.091313,0.00688208);(153.127627,0.01182594);(155.070515,0.00481316);(155.106956,0.00601595);(155.143391,0.00249611);(156.89395,0.06425011);(157.086287,0.00655789);(157.122685,0.00729337);(157.862044,0.00240451);(158.885547,0.00450606);(158.892332,0.01940498);(159.065512,0.00417215);(159.892861,0.03018719);(160.841098,0.00644449);(160.891721,0.02164949);(161.893136,0.00295828);(162.838268,0.00286519);(162.892477,0.01015782);(163.075639,0.00419204);(164.894966,0.00270752);(165.091365,0.00429674);(165.127553,0.00283255);(167.033738,0.00275593);(167.070653,0.00335793);(167.106781,0.00397654);(167.143088,0.01478941);(169.049874,0.00226637);(169.086272,0.00720006);(169.122708,0.00626272);(171.10166,0.02043875);(171.138391,0.01089716);(171.982842,0.00968464);(173.117712,0.00435477);(174.991731,0.00518769);(176.90035,0.00450731);(177.091245,0.00373442);(177.912213,0.00415051);(179.070475,0.00268545);(179.107198,0.00226828);(179.143454,0.00290641);(181.122957,0.00261585);(181.159191,0.00980757);(183.102022,0.00332089);(183.138389,0.0036828);(184.001404,0.00551992);(185.117964,0.00370427);(185.154125,0.00272337);(187.097096,0.00810825);(187.133573,0.00909422);(191.107396,0.00342475);(193.086363,0.00374334);(193.123094,0.00325201);(195.138479,0.00295075);(195.174729,0.01083567);(197.11789,0.00456722);(197.153893,0.00323938);(199.133472,0.00345491);(199.169919,0.00494326);(205.123042,0.00471115);(209.080223,0.00372253);(209.11781,0.00298139);(209.154541,0.00319769);(209.190887,0.00872995);(211.133592,0.00556902);(213.149386,0.00267598);(213.185829,0.00490463);(213.929432,0.00324288);(213.941721,0.00612961);(213.952367,0.0057646);(215.128822,0.00356357);(221.154308,0.03772724);(223.13358,0.00261852);(223.170774,0.00236003);(223.206749,0.01114155);(225.008096,0.00515803);(225.149793,0.0051068);(225.185684,0.00419614);(227.165242,0.00534445);(227.201628,0.00658028);(228.966588,0.00508006);(229.144625,0.003513);(235.133491,0.0027423);(235.206894,0.00330895);(237.149475,0.00249568);(237.22259,0.01064319);(239.165617,0.00445672);(239.2019,0.00325363);(241.072129,0.01330006);(241.181071,0.00617259);(241.217017,0.02558012);(242.176062,0.00301969);(242.220463,0.01119406);(243.16052,0.00470128);(243.196466,0.00408683);(245.154662,0.00324516);(248.079868,0.03452778);(248.581744,0.00938719);(249.149806,0.00258433);(249.222708,0.00351669);(250.948512,0.00552149);(251.237949,0.01399156);(253.181502,0.00355245);(253.217601,0.0052633);(255.19711,0.00657749);(255.232933,0.09643414);(256.23668,0.0181845);(260.874397,0.00486137);(261.150054,0.00507464);(261.186704,0.00366519);(261.222669,0.00238812);(263.16555,0.00346957);(263.238373,0.0075222);(265.145242,0.00248936);(265.18163,0.00247321);(265.217585,0.00399967);(265.254169,0.01450096);(267.197325,0.00354383);(267.233408,0.00378252);(267.269516,0.0029352);(269.212802,0.00636744);(269.249205,0.00372685);(271.228478,0.00880615);(272.830167,0.00749796);(275.165481,0.00389148);(275.238391,0.00288256);(277.181399,0.002286);(277.217715,0.00285585);(277.254527,0.00777946);(279.16031,0.00265086);(279.233349,0.00355757);(279.269264,0.01903065);(280.273155,0.00777183);(281.213224,0.00567789);(281.248955,0.00390464);(282.995692,0.0023213);(283.228573,0.00537334);(283.264291,0.0355217);(284.268359,0.00658338);(284.974819,0.02343416);(285.97553,0.00511705);(287.202322,0.00527761);(289.18159,0.00341651);(291.270426,0.00229522);(293.178631,0.0083758);(293.248241,0.00311711);(293.285516,0.01318022);(295.228387,0.00634328);(295.264668,0.00313049);(295.300904,0.01755023);(296.304401,0.00299786);(297.011487,0.00416024);(297.152945,0.03670313);(297.244101,0.01012973);(299.166228,0.00229638);(299.202391,0.00434693);(301.21852,0.00251554);(305.176477,0.00293465);(305.213436,0.00802135);(305.249178,0.02362435);(305.285649,0.00858784);(306.943825,0.00520046);(307.228604,0.0044263);(307.264906,0.00655567);(307.301404,0.00936919);(308.304293,0.00269366);(309.244391,0.00824341);(309.280835,0.00636079);(311.169105,0.15502908);(311.259796,0.01098639);(311.296325,0.01296499);(312.172349,0.02677275);(312.299604,0.00263028);(313.218396,0.00656539);(314.903346,0.00515057);(315.197457,0.0153787);(315.232953,0.02201639);(316.236674,0.00257013);(317.17705,0.00330067);(317.212605,0.04416);(317.285129,0.00245872);(318.215406,0.00733977);(319.155423,0.00231679);(319.19169,0.00263899);(319.228813,0.00446778);(319.265395,0.00742964);(319.30085,0.0314399);(320.304945,0.00571974);(321.244271,0.00409767);(321.280525,0.00579899);(321.31624,0.00470201);(323.260256,0.0067785);(323.29655,0.00426874);(323.332066,0.00259437);(325.184294,0.0122182);(325.275268,0.00526272);(327.18211,0.02762654);(327.23401,0.00540984);(328.185347,0.00613574);(329.213247,0.0064145);(331.193372,0.02451525);(331.228013,0.11186308);(331.906255,0.00341871);(332.196587,0.0055335);(332.231718,0.00954444);(332.914623,0.01702666);(333.172042,0.00725889);(333.207917,0.03217942);(334.91157,0.00506179);(335.186569,0.00348791);(335.297599,0.01243054);(335.332552,0.09986055);(335.864968,0.0071518);(336.263267,0.00649702);(336.301703,0.02207641);(336.336044,0.18052878);(337.147651,0.00427801);(337.166686,0.0049498);(337.201931,0.00278894);(337.238811,0.00646164);(337.275514,0.02810961);(337.312072,0.02832316);(337.34148,0.02144957);(337.862123,0.02004087);(338.27999,0.00647343);(338.315439,0.00625147);(338.350993,0.00430522);(338.861886,0.00417269);(339.199255,0.01052464);(339.254427,0.00635083);(339.290324,0.0369575);(339.327009,0.01211979);(339.859424,0.00441302);(340.294511,0.00755621);(340.330511,0.01155158);(341.103361,0.0025951);(341.212915,0.00775124);(341.249661,0.00646265);(342.962874,0.00681645);(343.228653,0.00815482);(343.264686,0.01701396);(343.300757,0.00290928);(345.208449,0.00512906);(345.222985,0.0033526);(345.244351,0.15237485);(346.247564,0.03088955);(347.223313,0.01125591);(349.2399,0.00368199);(349.311873,0.01003182);(349.348501,0.01308863);(350.206214,0.00321411);(350.242642,0.00560446);(350.314887,0.00357102);(350.351625,0.02192338);(351.180743,0.00369134);(351.217708,0.00717482);(351.291469,0.00824744);(351.328111,0.01100796);(351.362576,0.00596492);(353.19558,0.00253124);(353.21633,0.00794636);(353.249847,0.00737889);(353.306523,0.02717371);(353.342824,0.00875581);(354.219997,0.00477141);(354.309573,0.00540177);(354.347231,0.00408325);(355.265062,0.00663317);(355.323315,0.00284183);(357.244664,0.01013053);(357.280487,0.00397108);(357.317747,0.00620219);(358.882906,0.00276459);(358.994281,0.01376942);(359.186579,0.00478085);(359.223676,0.00889712);(359.260802,0.03798512);(360.26503,0.00592945);(360.973456,0.00460679);(362.279622,0.00611313);(363.290921,0.01480714);(364.901048,0.00555681);(365.379321,0.03009595);(366.382991,0.03087285);(367.322608,0.01574256);(367.358662,0.01499593);(367.384858,0.00394525);(368.325153,0.0069332);(368.362315,0.00971324);(369.19769,0.00402972);(369.246049,0.01584832);(369.280462,0.05002426);(369.316682,0.00467203);(369.340148,0.00246391);(370.248758,0.00342692);(370.283754,0.01167441);(371.219692,0.00933223);(371.259808,0.03466493);(371.295919,0.04438942);(371.332601,0.01501383);(373.907332,0.00566043);(375.254761,0.05566915);(375.90694,0.00301933);(376.258378,0.05307899);(377.197759,0.03564963);(377.235572,0.01280479);(377.264125,0.00730339);(377.865373,0.00226489);(378.199659,0.00365605);(378.847454,0.0241569);(379.180616,0.00816097);(379.212238,0.01013127);(379.322572,0.05160094);(379.847589,0.00553272);(380.255117,0.00281758);(380.290474,0.01721387);(380.32608,0.11343778);(381.242512,0.00379273);(381.266568,0.01175673);(381.301971,0.02939982);(381.334479,0.02633212);(382.305633,0.00600891);(382.34012,0.00331516);(385.27584,0.009331);(385.311953,0.00299886);(393.338827,0.00382507);(393.84887,0.00241921);(393.874032,0.01405629);(394.342479,0.01278308);(394.873074,0.00395555);(395.2601,0.00889422);(395.294043,0.00572053);(395.328913,0.0037376);(395.353899,0.06930166);(395.829599,0.01292783);(396.358107,0.01607209);(397.238743,0.0069536);(397.275608,0.02126086);(397.310816,0.01674202);(411.324192,0.01779557);(411.351599,0.00845381);(411.385299,0.06949471);(411.412883,0.01293621);(411.880829,0.00959779);(412.138893,0.00760269);(412.186506,0.01582734);(412.216953,0.00309998);(412.246383,0.0347323);(412.294263,0.01143957);(412.328955,0.07359947);(412.354468,0.0243025);(412.388376,0.08698924);(412.824618,0.01455463);(412.88119,0.00233054);(413.135464,0.01010061);(413.20065,0.07997864);(413.225791,0.03416571);(413.271126,0.13755444);(413.306339,0.10755309);(413.339824,0.06154638);(413.36518,0.12878794);(413.390942,0.00947863);(413.825205,0.00305338);(414.134524,0.0032432);(414.203225,0.01860551);(414.230701,0.01094701);(414.274277,0.03738167);(414.309878,0.02799048);(414.343852,0.01637543);(414.37119,0.03296512);(415.142364,0.00612521);(415.195612,0.00555415);(415.217786,0.01138742);(415.253524,0.02459741);(415.287448,0.16892036);(415.323261,0.42066926)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(55.017543,0.01098428);(57.033192,0.09180126);(59.003738,0.00500148);(59.012439,1.0);(59.020445,0.00534567);(60.015792,0.0316543);(60.991738,0.00502107);(61.016675,0.00323511);(61.977638,0.00111679);(61.986963,0.45672046);(61.995747,0.00124598);(63.961035,0.09551792);(65.956825,0.00105709);(67.017494,0.00335243);(68.996836,0.00583197);(69.033215,0.06728787);(70.036517,0.00163493);(71.012452,0.04141668);(71.048863,0.14841834);(72.052133,0.00253477);(72.991712,0.02876084);(73.028131,0.09417819);(74.023434,0.00255841);(74.960501,0.00125834);(75.007396,0.0431118);(78.981991,0.00322614);(78.984549,0.14242514);(79.955971,0.1021559);(80.025377,0.00291626);(80.96378,0.02706644);(80.980278,0.004356);(81.033212,0.05993641);(81.951768,0.00110624);(82.036544,0.00335501);(83.012471,0.01411454);(83.048873,0.18650384);(84.020308,0.00112829);(84.052246,0.01959216);(85.02814,0.17889746);(85.064519,0.02921907);(86.0315,0.00293781);(87.007375,0.01680338);(87.04378,0.05937615);(89.023065,0.03648184);(89.92435,0.00180438);(90.932163,0.00447512);(92.926573,0.00605889);(93.033213,0.01124876);(94.923607,0.00215088);(94.979528,0.3477997);(95.012494,0.00408026);(95.04891,0.03338895);(96.95876,0.35587338);(96.975313,0.00671246);(97.028213,0.0429049);(97.064577,0.05311185);(97.958146,0.00207464);(97.999498,0.0023681);(98.067829,0.00226052);(98.954605,0.0318486);(98.963179,0.00140957);(99.007506,0.03956107);(99.043861,0.0298219);(99.08019,0.02824811);(99.92451,0.04575878);(100.924537,0.00401344);(100.93229,0.00727553);(101.023099,0.01459898);(101.059498,0.02869734);(102.054747,0.00753604);(103.918998,0.00167391);(104.034003,0.00115881);(107.048964,0.01793666);(108.020332,0.00331137);(109.028198,0.01155561);(109.064634,0.06350364);(110.067903,0.00224301);(110.974549,0.03110436);(111.007425,0.00762203);(111.043884,0.0279462);(111.080236,0.04331354);(113.023181,0.01086488);(113.059571,0.01371324);(113.095957,0.01235035);(114.023066,0.00332843);(114.932812,0.0016407);(115.019587,0.01474183);(115.038853,0.00862257);(115.075231,0.02493294);(115.919487,0.08975533);(116.919739,0.00794927);(116.92728,0.0709725);(116.938557,0.00554166);(117.927474,0.00398335);(118.940827,0.00203433);(119.048912,0.00160064);(119.945816,0.00205258);(121.028234,0.01875696);(121.064732,0.01177714);(123.00751,0.00123985);(123.043887,0.01683411);(123.080313,0.02261904);(124.015402,0.001929);(124.893209,0.00120378);(125.023222,0.00815021);(125.059591,0.01714771);(125.095976,0.03948542);(125.871963,0.0010753);(127.038925,0.00804054);(127.075302,0.01031085);(127.111545,0.00616393);(127.872613,0.00714943);(128.034223,0.01122473);(128.87031,0.01478324);(128.876756,0.00250177);(129.018055,0.00150661);(129.054428,0.00564599);(129.090948,0.0046603);(129.869119,0.03881554);(129.877626,0.00154582);(130.867465,0.00878143);(130.873659,0.0020947);(130.942836,0.00412554);(131.865143,0.00454893);(133.064629,0.00406925);(134.89334,0.00114557);(135.043935,0.00362881);(135.080414,0.01151299);(137.023151,0.00107333);(137.05969,0.00910645);(137.096039,0.0130089);(139.038809,0.0036813);(139.075266,0.0129283);(139.111751,0.01661114);(141.054757,0.00236964);(141.090887,0.00403507);(141.127404,0.0023744);(142.979615,0.00891566);(143.070285,0.00203562);(143.106627,0.00582113);(145.027973,0.00111815);(147.043949,0.00159139);(147.080459,0.00407804);(149.0597,0.00550444);(149.096328,0.00309038);(150.987192,0.00127622);(151.038874,0.00233767);(151.075399,0.00658118);(151.111825,0.00383987);(153.054691,0.00233396);(153.091117,0.00406517);(153.127295,0.01328113);(154.946478,0.00195524);(155.106712,0.00227457);(155.14315,0.00262307);(156.89388,0.09544208);(157.086062,0.00282154);(157.12228,0.00119659);(157.861962,0.00390085);(158.845546,0.00198919);(158.885413,0.00572751);(158.892094,0.02691088);(159.858968,0.00157616);(159.884768,0.00184929);(159.89277,0.0391177);(160.841014,0.00624734);(160.891615,0.02701205);(161.096309,0.00255919);(161.893009,0.0053856);(162.83785,0.00281834);(162.892352,0.01381127);(163.075623,0.00318489);(163.112122,0.00302792);(164.894189,0.0034614);(165.05495,0.00110074);(165.091182,0.00556085);(165.127436,0.00265541);(167.070138,0.0022102);(167.106525,0.0031053);(167.143042,0.01606942);(169.086029,0.00187699);(169.122397,0.00262219);(170.909622,0.00179507);(171.101614,0.00955549);(171.138038,0.00333741);(171.982637,0.01143919);(174.991455,0.01295868);(175.075527,0.00186588);(175.111895,0.00272772);(176.899457,0.00243086);(177.054985,0.00123936);(177.091231,0.0051508);(177.12743,0.00292474);(177.911902,0.0014874);(179.07023,0.00273487);(179.10705,0.00186428);(179.14326,0.00189554);(181.158851,0.01309446);(183.011271,0.01139245);(183.138275,0.00298125);(183.174868,0.00106238);(184.000839,0.0374269);(184.503116,0.00377659);(185.117484,0.00166623);(185.153496,0.00173254);(187.096729,0.00136166);(187.11165,0.00206794);(187.133129,0.00426583);(189.090834,0.00168943);(189.127446,0.00435197);(191.107013,0.00181473);(193.122312,0.00244686);(193.159149,0.00146914);(195.138233,0.00173588);(195.174627,0.01006017);(197.026984,0.00491903);(197.117593,0.00159215);(197.154208,0.00221799);(197.189484,0.00139485);(199.02346,0.00121882);(199.16955,0.00124121);(205.122658,0.00349991);(205.159091,0.00181266);(207.13846,0.00303993);(207.174455,0.00281283);(209.190393,0.00840368);(211.133358,0.00217452);(211.206369,0.00111097);(213.932148,0.0052077);(213.942028,0.02576554);(213.953414,0.00264005);(217.122589,0.00107462);(219.13889,0.00253842);(221.117721,0.0016911);(221.154231,0.04129363);(221.190019,0.00107776);(223.170202,0.00109629);(223.206303,0.01012461);(225.007187,0.00481182);(225.148851,0.00238224);(225.185272,0.00137877);(227.107587,0.00105085);(227.201321,0.00270362);(228.965823,0.00277083);(229.122482,0.00124342);(232.924141,0.00105936);(233.154396,0.00185193);(235.206548,0.00286633);(237.22207,0.01019938);(239.165005,0.00198858);(239.201272,0.00207634);(241.071889,0.00574229);(241.180574,0.00186642);(241.21692,0.01936368);(242.220409,0.00764942);(243.138849,0.00134553);(245.154538,0.00276748);(248.079554,0.01252904);(248.581301,0.00142712);(249.222006,0.00257771);(250.947759,0.00628139);(251.237932,0.0187056);(252.241247,0.00230313);(253.217133,0.00343297);(254.856208,0.00123169);(255.196369,0.00107232);(255.232833,0.08439444);(256.236259,0.01693484);(257.15415,0.00140092);(259.170129,0.00341154);(260.873284,0.00420958);(261.149421,0.00434156);(261.186193,0.00109863);(263.165324,0.00435877);(263.237957,0.00588617);(265.181333,0.00116935);(265.217525,0.00179833);(265.25355,0.01477817);(266.256337,0.00127514);(267.233083,0.00322332);(268.942502,0.00227376);(270.922626,0.00225328);(271.227901,0.00199754);(272.829232,0.01005536);(273.185969,0.00333836);(274.880491,0.00347629);(275.16531,0.00284601);(277.217299,0.00128098);(277.253715,0.00376248);(279.269022,0.02447375);(280.272956,0.00779706);(281.211505,0.00175112);(281.248268,0.0045018);(281.284816,0.00111811);(282.994762,0.00111067);(283.227702,0.00138903);(283.264349,0.02621961);(284.267748,0.00361004);(284.974195,0.0268369);(285.974039,0.00240907);(287.165131,0.00151074);(287.201448,0.00282493);(289.180083,0.00156824);(289.217611,0.00107154);(291.269843,0.00113059);(293.177591,0.00272746);(293.249188,0.00108448);(293.2848,0.01370837);(294.288684,0.00148083);(295.263889,0.00556698);(295.300792,0.01071116);(297.010433,0.00316505);(297.152656,0.04299692);(297.185499,0.00331571);(297.243516,0.00378011);(299.166014,0.00164287);(299.202084,0.00678829);(299.888305,0.00185552);(301.217398,0.00407664);(305.212022,0.00250173);(305.248535,0.0147326);(305.285097,0.00247015);(306.943809,0.0035666);(307.263336,0.00118095);(307.300744,0.0108107);(308.304149,0.00300096);(309.243223,0.00201817);(309.279709,0.00424523);(309.315713,0.00214098);(311.168689,0.18457297);(311.258931,0.00280787);(311.295147,0.00691742);(312.171948,0.03008208);(312.298187,0.00125396);(313.180935,0.00303172);(313.217363,0.00859775);(314.873351,0.0021578);(314.90388,0.00525879);(315.196746,0.01869894);(315.232391,0.01920271);(316.200027,0.00118076);(316.882462,0.00106896);(316.900901,0.00174199);(317.1752,0.00162427);(317.212254,0.05111297);(317.28543,0.00207545);(317.854788,0.0028616);(318.214903,0.00168276);(319.227626,0.00132577);(319.264666,0.00148701);(319.300475,0.02622193);(319.851397,0.00608033);(320.304409,0.00272408);(321.31619,0.00293488);(321.812783,0.00174381);(322.837978,0.00217135);(323.258433,0.00214878);(323.295382,0.00240574);(323.332453,0.00146409);(325.183604,0.01290035);(327.180472,0.03207534);(327.233145,0.01030928);(328.183139,0.0049142);(329.212382,0.00557355);(329.248578,0.00281821);(330.252818,0.00116749);(331.192531,0.0206759);(331.227919,0.09983923);(331.907256,0.00111404);(332.194857,0.00231704);(332.231164,0.0046689);(332.914207,0.0127512);(333.171538,0.00128834);(333.207159,0.02655872);(334.319663,0.00121622);(334.911401,0.00277776);(335.296509,0.00813076);(335.332005,0.05901151);(335.865183,0.00251568);(336.298968,0.00791226);(336.335377,0.11587429);(337.147116,0.00594129);(337.274851,0.00676314);(337.311281,0.01241754);(337.340754,0.01345898);(337.862458,0.00979589);(338.314763,0.00130377);(338.862831,0.0010955);(339.198526,0.00870295);(339.290411,0.01927096);(339.326827,0.00453826);(340.293117,0.00151155);(340.330327,0.00438613);(341.212096,0.00583161);(341.248614,0.0069353);(341.285161,0.00138268);(342.961924,0.01178546);(343.227621,0.0040979);(343.264149,0.01960558);(343.300695,0.0035597);(344.940835,0.00415945);(345.243639,0.14508027);(346.247146,0.02553681);(347.222321,0.00221502);(349.311127,0.00731526);(349.347566,0.00956459);(350.242347,0.00156923);(350.350834,0.02271186);(351.217238,0.00184217);(351.327293,0.003337);(353.214859,0.00800049);(353.248718,0.00721182);(353.30586,0.0182626);(353.342933,0.00296449);(354.219896,0.00583028);(355.190156,0.00127813);(355.22797,0.00244628);(355.264095,0.00720113);(355.301051,0.0037136);(357.243434,0.0055387);(357.279733,0.00130364);(357.316165,0.00671209);(358.883084,0.00796745);(358.993961,0.00175359);(359.222302,0.00134561);(359.259143,0.04021918);(359.883852,0.00163734);(360.262052,0.0045169);(360.882071,0.00429622);(362.278236,0.00331664);(363.2901,0.00441294);(365.379023,0.03062137);(366.381936,0.03519988);(367.17951,0.00124598);(367.322185,0.00840906);(367.359663,0.00219059);(367.385883,0.00227726);(369.198519,0.00107812);(369.244453,0.00464343);(369.279514,0.03058656);(369.316033,0.00401236);(370.282815,0.00504313);(371.259625,0.02809599);(371.29523,0.0358904);(371.331544,0.00926299);(372.262948,0.00113262);(375.254126,0.0124875);(376.257814,0.00927136);(377.197483,0.00588043);(377.232888,0.00267958);(377.866316,0.00141322);(378.847519,0.04286787);(379.322015,0.01453869);(379.847864,0.01082834);(380.324978,0.03747485);(380.807635,0.00469894);(380.843462,0.0023883);(381.300902,0.00470506);(381.336567,0.01425686);(384.336888,0.00106359);(385.274596,0.00568861);(385.310871,0.00137035);(393.87098,0.00286316);(394.317082,0.00128326);(394.342703,0.00348179);(395.258994,0.00427014);(395.294942,0.00333902);(395.32893,0.00142408);(395.35403,0.00368323);(395.832463,0.00106808);(397.238679,0.00113007);(397.274934,0.01546323);(397.310643,0.02304192);(398.314651,0.00122167);(411.326759,0.01045451);(411.384117,0.01758681);(411.411752,0.00143487);(412.188655,0.00769474);(412.247284,0.01167366);(412.295165,0.00338787);(412.329168,0.04573852);(412.387301,0.02350317);(412.824354,0.01641405);(413.200707,0.06659247);(413.233461,0.00724958);(413.269721,0.06260531);(413.305632,0.05927076);(413.340596,0.03138535);(413.366851,0.0251745);(414.203348,0.01430556);(414.23865,0.00119721);(414.273024,0.01731365);(414.308439,0.01202768);(414.342009,0.00389821);(414.369977,0.00316777);(415.194112,0.00659926);(415.253281,0.0068294);(415.286199,0.05206674);(415.321622,0.2914678);(415.353275,0.01333401)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.221793,0.00058842);(50.243412,0.00060688);(50.826839,0.00052992);(50.884989,0.00063559);(51.48121,0.00058961);(53.26079,0.00056012);(53.395019,0.00052755);(54.009112,0.00057415);(54.535503,0.00049582);(54.703253,0.00050655);(54.899737,0.00050832);(55.01754,0.02937091);(55.147769,0.00046331);(56.877858,0.00052641);(57.033194,0.15310318);(57.175163,0.00055484);(57.846657,0.00053198);(58.036556,0.00286948);(59.004168,0.00404295);(59.012443,1.0);(59.021066,0.00282089);(59.042633,0.00052467);(59.625173,0.00052636);(59.983862,0.00147202);(60.0158,0.02856745);(60.831769,0.00060256);(60.991763,0.0030946);(61.016661,0.00392882);(61.470167,0.00052184);(61.978107,0.00337464);(61.986966,0.73120884);(61.996291,0.00252169);(62.827903,0.0005138);(63.48377,0.00052727);(63.740329,0.00060658);(63.961051,0.25167623);(63.991222,0.00266602);(64.968878,0.00132909);(65.002005,0.00131457);(65.038351,0.00148112);(65.956842,0.00742539);(67.017567,0.0144387);(67.087358,0.00058991);(67.58646,0.00053198);(67.877584,0.0005996);(68.536091,0.00052021);(68.996809,0.02324597);(69.033225,0.11229244);(70.036551,0.00199669);(71.010373,0.00085049);(71.012458,0.06164106);(71.048868,0.19331889);(71.706398,0.00054577);(72.015665,0.00082099);(72.052093,0.00361744);(72.278415,0.00054176);(72.908998,0.00149507);(72.991727,0.03241119);(73.028139,0.08831318);(74.023353,0.00303644);(74.864365,0.00058665);(74.960589,0.00197027);(75.007398,0.04096688);(78.27483,0.00061646);(78.91738,0.00065238);(78.957723,0.00964306);(78.984557,0.13344848);(78.986985,0.00064228);(79.05391,0.0029714);(79.943628,0.00051539);(79.95599,0.41145586);(80.025387,0.01129758);(80.144798,0.0006075);(80.600801,0.00057281);(80.955601,0.00127826);(80.963794,0.05071349);(80.980393,0.00153461);(81.029001,0.00062626);(81.033237,0.15955608);(81.312547,0.00054957);(81.951797,0.02207445);(82.036552,0.01693362);(83.012496,0.01775039);(83.048885,0.19796374);(83.393039,0.00057637);(83.699081,0.00068742);(83.868575,0.00052982);(84.020236,0.00320087);(84.052254,0.01817582);(85.028142,0.14872958);(85.03083,0.00090911);(85.039897,0.00059188);(85.06453,0.02996248);(86.031491,0.00242231);(87.007484,0.00884801);(87.043787,0.03438495);(89.023037,0.037484);(89.924359,0.00610962);(90.932192,0.00748123);(90.970141,0.00062869);(91.855109,0.00064518);(91.919794,0.00140044);(92.926852,0.00541812);(93.000015,0.00925165);(93.033258,0.03819919);(93.069807,0.00146221);(94.036684,0.00058394);(94.923794,0.00245122);(94.979539,0.48027776);(95.012528,0.013369);(95.048901,0.06428933);(95.627596,0.00056918);(95.951007,0.01784672);(95.982971,0.00204956);(96.052397,0.00057523);(96.9413,0.00167863);(96.958765,0.75136193);(96.975088,0.00794593);(97.028184,0.04800088);(97.064593,0.05927828);(97.92996,0.00093188);(97.946627,0.00084997);(97.958144,0.00555039);(97.999518,0.00197956);(98.02363,0.00140441);(98.035965,0.00077369);(98.068109,0.00135605);(98.954602,0.06072223);(98.963066,0.00329983);(99.007488,0.03578516);(99.043885,0.02550777);(99.080217,0.02112608);(99.924502,0.12022127);(99.927723,0.00241479);(100.92465,0.01247358);(100.93231,0.01011242);(101.023147,0.00515813);(101.059539,0.0229049);(102.05488,0.00482675);(102.567299,0.00059591);(103.918943,0.00204533);(105.069804,0.00126585);(106.041352,0.00171032);(107.048927,0.05070212);(107.855076,0.00057696);(108.020426,0.03157267);(108.052446,0.00160623);(108.898463,0.00336593);(109.024581,0.00133652);(109.028149,0.02394342);(109.064629,0.08994932);(110.03589,0.0014039);(110.067994,0.00211174);(110.894614,0.00070851);(110.974512,0.04844104);(111.007574,0.00906511);(111.043891,0.03313135);(111.080269,0.03028984);(113.023162,0.00250148);(113.059565,0.00679813);(113.096021,0.00592388);(113.925019,0.00084904);(114.023368,0.00200474);(114.932943,0.00221148);(115.019726,0.01084264);(115.038578,0.00164522);(115.075454,0.00304049);(115.77816,0.00055854);(115.919489,0.13757175);(116.919819,0.01252869);(116.927299,0.10705565);(116.938591,0.00971852);(117.033401,0.00194343);(117.927587,0.00820478);(118.898498,0.00157112);(118.940973,0.01915856);(119.036791,0.0007264);(119.049181,0.01297997);(120.889166,0.00074074);(121.028328,0.02162371);(121.064677,0.02922705);(122.036207,0.00720775);(122.54855,0.00057121);(123.007562,0.00579032);(123.043975,0.02512372);(123.080383,0.03748425);(124.015574,0.00137823);(124.08358,0.00062724);(124.893172,0.00061477);(125.023299,0.00548099);(125.059708,0.01313754);(125.096092,0.02061306);(125.872111,0.00379802);(125.979656,0.00066281);(126.412502,0.00062436);(126.88005,0.00318305);(127.075379,0.00367504);(127.111598,0.00245403);(127.695528,0.00186437);(127.872666,0.0092929);(128.034247,0.00538099);(128.870431,0.0183892);(128.876836,0.00295031);(129.054664,0.00086265);(129.062948,0.00053002);(129.869197,0.05024004);(129.877682,0.00085313);(130.867364,0.01266159);(130.873206,0.00106719);(131.049729,0.00060863);(131.668228,0.00056041);(131.865506,0.00911135);(131.926437,0.00071755);(132.980776,0.00518957);(133.028367,0.00164018);(133.064782,0.01392929);(133.687231,0.00056512);(134.893884,0.00061664);(135.04425,0.01399115);(135.0806,0.01979575);(136.015249,0.00063743);(136.052059,0.00070991);(136.084425,0.00083349);(137.023395,0.00463438);(137.059908,0.01422027);(137.096412,0.01118789);(138.841072,0.00062918);(139.038765,0.00137513);(139.075446,0.00567068);(139.11183,0.00985705);(139.891443,0.00524797);(140.899192,0.00313616);(141.091033,0.00064338);(141.12769,0.00060685);(141.867112,0.00062964);(142.290517,0.0006106);(142.89088,0.00101289);(142.897225,0.00335493);(143.049542,0.00070656);(143.08599,0.00066637);(143.898184,0.00282314);(144.896929,0.00300024);(144.980561,0.00066775);(145.028624,0.00331444);(145.065041,0.00224337);(146.897627,0.00077721);(147.044268,0.00563642);(147.080505,0.0138009);(148.052116,0.00326334);(149.023571,0.00194961);(149.059844,0.009991);(149.096296,0.00898729);(149.369432,0.00062015);(149.728003,0.00060019);(150.988163,0.00258254);(151.039041,0.00295747);(151.075593,0.00505176);(151.112001,0.00236586);(152.916742,0.00292975);(153.091899,0.00069256);(153.127474,0.0055866);(153.755427,0.00066037);(154.946726,0.01887166);(155.106561,0.00068328);(155.88649,0.00151758);(156.893876,0.15844668);(157.064922,0.00174891);(157.862217,0.00608208);(157.884282,0.00516501);(158.84567,0.00155094);(158.885249,0.01405061);(158.892366,0.04119869);(159.044293,0.0009802);(159.080845,0.00488704);(159.859096,0.00349754);(159.884815,0.00733452);(159.893005,0.04870958);(160.841211,0.00819131);(160.891698,0.0434769);(161.023304,0.00432232);(161.059838,0.00330142);(161.096401,0.00856217);(161.856102,0.00169603);(161.885369,0.00207642);(161.893219,0.0087506);(162.838311,0.00466421);(162.892637,0.02335528);(163.03981,0.00073968);(163.07542,0.0036239);(163.11202,0.00491354);(163.952273,0.00054643);(164.89483,0.00774942);(165.054489,0.00089506);(165.091437,0.00282926);(165.128052,0.00269978);(166.189771,0.00056325);(167.033484,0.00066141);(167.143445,0.00227862);(167.654616,0.00055607);(168.909991,0.00303341);(169.122688,0.00071168);(170.003522,0.00292198);(171.080657,0.00327846);(171.880979,0.00101828);(171.982824,0.00937823);(173.060273,0.00312681);(173.096273,0.00448329);(173.90779,0.00057169);(174.932906,0.00146915);(174.991466,0.00330339);(175.038944,0.00223903);(175.076016,0.00473693);(175.1122,0.00657091);(176.898526,0.00070664);(176.928228,0.00125331);(176.993124,0.0024142);(177.091567,0.00257269);(177.127944,0.00147608);(177.90209,0.00061554);(179.108598,0.00063421);(180.2363,0.00069495);(181.118218,0.0005515);(181.16069,0.00072789);(183.011342,0.1895743);(184.000885,0.07484628);(184.018091,0.00645892);(184.503155,0.00849674);(185.00744,0.01679183);(185.060027,0.00103356);(185.096381,0.00147721);(185.877072,0.00063184);(187.03967,0.00058701);(187.075324,0.00069186);(187.112034,0.00527036);(187.872518,0.00060554);(188.855965,0.00061034);(189.091265,0.0009968);(189.127921,0.00546837);(191.008993,0.00142824);(191.107039,0.00165824);(193.122636,0.00065427);(195.176632,0.00101623);(197.027066,0.14136855);(197.096725,0.00064187);(198.034271,0.01839467);(199.022781,0.03767016);(199.062889,0.00053519);(199.074592,0.00060585);(199.11209,0.00210092);(199.850982,0.00059882);(200.030595,0.0008326);(201.092435,0.00059575);(201.128232,0.00180756);(201.865495,0.0005939);(203.107641,0.00060048);(204.112005,0.00056123);(205.122837,0.00401249);(205.159682,0.00234545);(207.138796,0.00071327);(207.175373,0.00061723);(208.975847,0.01535338);(209.1175,0.00070825);(209.18987,0.0008539);(210.955466,0.0217068);(211.042287,0.002555);(212.048364,0.00058795);(212.934376,0.00404562);(213.12801,0.00122829);(214.913882,0.00489059);(215.144047,0.00144432);(215.845807,0.00077046);(216.009064,0.00262776);(219.138697,0.00061715);(220.121524,0.00481486);(220.13472,0.00441586);(220.145789,0.00132391);(221.154319,0.03835767);(223.206625,0.0013505);(225.056604,0.00082644);(225.127282,0.00074277);(227.107393,0.00154793);(229.123346,0.00391446);(230.025697,0.01342781);(231.138721,0.00092804);(235.168981,0.00070433);(237.22197,0.00156362);(239.131627,0.00055522);(241.160698,0.00070754);(243.138893,0.00352039);(250.949258,0.00973757);(254.856469,0.00225744);(254.908822,0.00058474);(255.138486,0.00138886);(255.175765,0.00149737);(255.23322,0.00241707);(257.999104,0.00077946);(259.170765,0.00183771);(263.137307,0.00057394);(266.964359,0.00516893);(267.965747,0.0006604);(268.943502,0.03871266);(269.943004,0.00072835);(270.922857,0.02747609);(270.940027,0.00188153);(271.170794,0.00344291);(271.922821,0.00077211);(272.829957,0.00756648);(272.902153,0.01000457);(272.918707,0.00323516);(274.881514,0.00879823);(275.038153,0.00155866);(283.210627,0.00086957);(283.748007,0.00055438);(284.85698,0.00073404);(284.974632,0.00793127);(287.038357,0.00719732);(289.054443,0.00973343);(289.214335,0.00055309);(294.178552,0.00076283);(297.153347,0.01288486);(299.204034,0.00141986);(299.888566,0.00348806);(301.055742,0.00085311);(302.876002,0.00411742);(304.854615,0.00113948);(310.917298,0.00067601);(311.169361,0.05265576);(311.204395,0.00148186);(312.171765,0.00409887);(313.180515,0.00086094);(313.21816,0.00371352);(314.87468,0.00482615);(314.903818,0.00192888);(315.038306,0.00064954);(315.19631,0.00080032);(315.235752,0.00112399);(316.883214,0.00108115);(317.212716,0.0117864);(318.861873,0.00223906);(319.851608,0.00064714);(320.841127,0.00661923);(320.859105,0.00279134);(321.813937,0.00254463);(322.8383,0.01769075);(323.838122,0.00165564);(324.837498,0.00166083);(325.183777,0.00150555);(327.180749,0.00343026);(327.233891,0.00772828);(328.236538,0.00083173);(329.285262,0.00070551);(331.227246,0.00138997);(332.914771,0.00103274);(333.20688,0.00060068);(337.256522,0.00080721);(341.214039,0.0007508);(342.962855,0.01091035);(343.264521,0.00069173);(344.93968,0.00070936);(345.184673,0.0006016);(345.245388,0.00952947);(353.216093,0.00124813);(353.250096,0.00068491);(355.264884,0.00066555);(355.302746,0.0049858);(356.304638,0.00067259);(356.862269,0.00057464);(357.31738,0.00388996);(359.259535,0.00257551);(360.863314,0.00383052);(362.841917,0.00347118);(369.318257,0.00171152);(370.868692,0.00077418);(375.849968,0.00226137);(378.847999,0.00499665);(380.8089,0.00821176);(395.297326,0.00124917);(395.813366,0.00172792);(396.303981,0.00060795);(397.175735,0.00074143);(397.274776,0.00069358);(397.312382,0.00562569);(398.314881,0.00060309);(412.826504,0.0113332);(413.201231,0.00599144);(413.277412,0.00072417);(413.308654,0.00089027);(414.202542,0.00088127);(415.322426,0.00554589)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(53.039435,0.00354555);(55.018636,0.01505651);(55.055007,0.08244924);(56.058398,0.00352949);(57.034248,0.05651779);(57.070654,0.13946281);(58.065911,0.00594912);(58.073985,0.00460995);(59.049905,0.02292156);(59.061154,0.01180509);(60.045149,0.06083606);(62.060821,0.00288246);(65.039401,0.0026665);(67.054925,0.16213728);(68.058301,0.0084582);(69.034175,0.0178602);(69.070565,0.18579377);(70.065814,0.00392387);(70.073905,0.01041248);(71.049821,0.05717063);(71.086197,0.09283385);(72.089514,0.00327751);(73.029055,0.04271928);(73.047543,0.0092043);(73.065423,0.01612178);(74.097052,0.03807399);(75.044691,0.00738322);(76.076355,0.00351815);(79.02181,0.02957892);(79.054819,0.06490344);(81.034096,0.01706347);(81.070463,0.35326194);(82.073822,0.02397845);(83.049713,0.04040374);(83.086103,0.18902727);(83.088858,0.00331384);(84.089432,0.01342487);(85.028972,0.02156166);(85.04021,0.01458176);(85.065343,0.08733083);(85.101709,0.04933309);(86.068719,0.00294068);(86.096953,0.00537657);(87.044598,0.04043095);(87.08103,0.00354653);(89.060225,0.12498451);(90.063612,0.00242821);(90.09185,0.01115928);(91.054746,0.05970572);(91.057906,0.03241949);(92.058013,0.0036175);(93.07034,0.13847651);(94.073719,0.00998325);(95.049602,0.03661469);(95.085972,0.41889277);(96.089349,0.03443045);(97.065224,0.07910767);(97.101606,0.15883341);(98.068644,0.00407705);(98.104966,0.01305129);(99.044486,0.03975217);(99.080889,0.05148072);(100.076092,0.00591094);(100.084225,0.00244182);(100.112494,0.00611329);(101.02374,0.00333444);(101.060113,0.03773473);(103.039406,0.0063647);(105.033863,0.00258056);(105.070227,0.0743643);(106.073537,0.00548244);(107.049491,0.0202782);(107.085872,0.17055644);(108.08924,0.01440603);(109.065119,0.04708798);(109.101477,0.3017695);(110.104823,0.02665869);(111.044376,0.0906625);(111.080752,0.07564204);(111.117103,0.06309926);(112.047742,0.00420452);(112.084077,0.00432468);(112.120568,0.00433656);(113.060038,0.03572803);(113.096375,0.04074039);(115.039263,0.03555716);(115.075605,0.0364687);(116.053125,0.00903771);(116.107193,0.00249928);(117.054889,0.00634249);(117.070118,0.03238639);(119.085753,1.0);(120.089072,0.08585186);(121.065032,0.0498072);(121.101397,0.22572405);(122.104658,0.02196948);(123.04432,0.00760353);(123.080613,0.05786058);(123.117015,0.16893363);(124.083857,0.00294346);(124.12032,0.01656724);(125.059913,0.03870651);(125.096246,0.05945359);(125.132623,0.01819032);(126.063293,0.00260747);(126.099563,0.00357312);(127.03913,0.00236936);(127.075526,0.0250103);(127.111787,0.02358529);(129.054699,0.03038185);(129.070048,0.01010477);(129.091098,0.01499428);(130.159119,0.00745692);(131.070407,0.00563042);(131.085591,0.07331804);(132.088992,0.00799251);(132.102007,0.00917465);(133.06483,0.02261491);(133.085999,0.04231125);(133.10118,0.12746645);(134.104628,0.01537617);(135.080502,0.06649327);(135.116856,0.19095321);(136.083774,0.00542727);(136.120149,0.02048077);(137.05973,0.02043471);(137.096054,0.05435422);(137.132497,0.07712769);(138.099249,0.00365145);(138.135911,0.00744937);(139.036521,0.00596666);(139.075324,0.03782912);(139.111692,0.03935029);(139.148149,0.00238105);(140.114978,0.00290104);(141.054397,0.0044183);(141.069888,0.00309592);(141.090961,0.02143232);(141.127342,0.01243372);(143.070309,0.02239482);(143.085576,0.01932921);(143.106726,0.00986327);(145.064832,0.00331803);(145.101124,0.07435823);(146.104491,0.00897702);(147.08042,0.02671532);(147.116776,0.10940334);(148.120083,0.01412437);(149.02336,0.01599998);(149.059784,0.01143602);(149.096085,0.04703106);(149.132506,0.11852875);(150.099516,0.00385658);(150.135802,0.01347825);(151.07528,0.03272395);(151.11172,0.04954931);(151.148051,0.03832129);(152.115168,0.00404477);(152.151294,0.00248245);(153.053264,0.0094218);(153.090994,0.03569803);(153.127383,0.03038264);(155.070224,0.00779567);(155.08541,0.00889921);(155.106597,0.0141882);(155.142871,0.0052828);(157.08599,0.00801823);(157.101153,0.04078741);(157.12219,0.00345052);(158.104359,0.00389337);(159.080528,0.00986153);(159.116821,0.06860852);(160.120131,0.01072417);(161.059652,0.00248882);(161.096056,0.03170135);(161.132383,0.08283673);(162.135921,0.01057667);(163.075345,0.01636723);(163.11165,0.03995408);(163.148085,0.0739656);(164.115023,0.00242734);(164.151682,0.01002613);(165.091035,0.0445199);(165.127411,0.03481031);(165.16369,0.01995933);(167.069858,0.01074548);(167.106727,0.02786507);(167.142986,0.02296328);(169.085905,0.00509818);(169.101189,0.01187114);(169.12235,0.00998025);(169.158516,0.00303375);(171.080482,0.00275759);(171.116763,0.03744929);(171.137918,0.00238095);(173.096131,0.02327408);(173.132517,0.05464843);(174.135761,0.00728563);(175.07539,0.00473079);(175.11171,0.03034656);(175.148075,0.06842361);(176.1514,0.0074106);(177.090931,0.01659276);(177.127299,0.02773857);(177.163775,0.04529851);(178.167147,0.00467833);(179.070171,0.00278123);(179.106666,0.02078774);(179.142945,0.02696545);(179.179376,0.01076054);(181.085313,0.00895639);(181.10115,0.00338036);(181.122181,0.022644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8.214464,0.00933775);(318.250305,0.01468423);(319.227212,0.00317536);(319.263189,0.02561694);(319.298923,0.02426486);(320.266949,0.00381099);(320.302671,0.00435873);(321.242204,0.01176087);(321.278415,0.02070278);(322.281876,0.00410638);(325.216385,0.00246752);(329.210828,0.00767848);(329.247093,0.0214951);(329.283604,0.01122347);(331.226793,0.00990869);(331.262727,0.01632278);(332.230244,0.00388465);(332.266224,0.0048979);(333.241932,0.00666742);(333.278737,0.00889908);(335.222197,0.06221218);(335.257613,0.13835341);(335.294191,0.00455947);(336.224644,0.00723221);(336.260837,0.0215856);(337.309898,0.01190938);(341.246998,0.00271742);(344.976271,0.01982135);(345.97685,0.00346514);(347.258219,0.04380531);(347.293842,0.05113375);(348.261163,0.00929848);(348.297998,0.01308425);(349.236875,0.01672283);(349.273308,0.01356611);(350.277056,0.00662476);(353.268213,0.00607212);(356.848224,0.0086695);(365.304641,0.02792621);(366.308389,0.00702136);(366.409346,0.00990911);(371.239952,0.01153051);(378.4096,0.00478026);(379.26243,0.01526224);(389.3771,0.00385339);(396.419531,0.03428942);(397.27365,0.01860098);(397.30943,0.00611982);(397.345773,0.0039606);(397.423272,0.00848494);(399.288947,0.00263896);(399.32591,0.00409707);(406.844229,0.01192546);(413.323018,0.02313923);(414.268012,0.00853271);(414.297244,0.0037012);(414.326668,0.04757117);(414.374844,0.00621005);(414.40854,0.00378359);(415.207752,0.0239105);(415.238439,0.00641134);(415.279653,0.00607011);(415.302168,0.04414479);(415.321195,0.01116816);(415.358312,0.02068419);(415.391577,0.00256382);(416.211468,0.00474739);(416.307101,0.00991336);(416.357836,0.00725231);(416.389983,0.00637395);(416.425004,0.01304879);(417.186905,0.00833772);(417.22148,0.00993797);(417.245445,0.04755893);(417.297767,0.03103996);(417.334667,0.03735764);(417.371851,0.0158687)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(53.002964,0.00621176);(53.039377,0.01352624);(55.018613,0.04010527);(55.054992,0.19408111);(55.056547,0.00386668);(55.209611,0.00054154);(56.050193,0.00204096);(56.058352,0.00817506);(56.965546,0.00592593);(57.032832,0.00134725);(57.034242,0.08448352);(57.035681,0.00093994);(57.070635,0.19638695);(57.072224,0.00311038);(57.24377,0.0005314);(58.06589,0.01027438);(58.073956,0.00850142);(59.049883,0.03123292);(59.061117,0.01053536);(60.045138,0.05190825);(61.011312,0.00498043);(62.01917,0.00227997);(62.060839,0.00060544);(62.982428,0.00158513);(63.782495,0.0005353);(65.039324,0.00844999);(65.532665,0.00053781);(67.054919,0.3282198);(68.058261,0.01607298);(68.783455,0.00057274);(69.034181,0.02735581);(69.07056,0.30101095);(70.065772,0.00874924);(70.073878,0.01698003);(71.049809,0.07644429);(71.086192,0.10408523);(72.053034,0.00102406);(72.081464,0.00212967);(72.089494,0.00270059);(73.029073,0.03923048);(73.047444,0.0089437);(73.065412,0.02095553);(74.060784,0.00113821);(74.09703,0.03225448);(75.044686,0.00722236);(76.076343,0.00131727);(77.007972,0.00055931);(77.039308,0.00240832);(79.021818,0.02715439);(79.054808,0.16423889);(80.058176,0.00878226);(81.034084,0.02249459);(81.070451,0.55966257);(82.073788,0.03678871);(83.049673,0.07806094);(83.086088,0.24525507);(84.052988,0.00339681);(84.081207,0.00237693);(84.089431,0.01602384);(85.028964,0.02700356);(85.040145,0.01478057);(85.065323,0.09695491);(85.068137,0.00104972);(85.101696,0.05051145);(86.068627,0.00334451);(86.09695,0.00394316);(87.044546,0.03987134);(87.080916,0.00172391);(88.076103,0.00295691);(89.060198,0.07299368);(90.063608,0.00085305);(90.091745,0.00854824);(91.054705,0.14422413);(91.057844,0.03603909);(92.058013,0.00795502);(93.07032,0.28819604);(94.073716,0.02100113);(95.04959,0.06134967);(95.085942,0.59589106);(96.052902,0.00279221);(96.081313,0.00071107);(96.089312,0.0466094);(97.028877,0.00488223);(97.065192,0.1227972);(97.101588,0.16006752);(98.068576,0.00499156);(98.104911,0.01410432);(99.044459,0.04337679);(99.080856,0.04522347);(100.076043,0.00343654);(100.084267,0.00166185);(100.112236,0.00265736);(101.023686,0.00173092);(101.060085,0.03567083);(103.039292,0.00332664);(103.054624,0.00285147);(105.033871,0.00325015);(105.044909,0.00063594);(105.070195,0.14982649);(106.073601,0.01082701);(107.049448,0.03011532);(107.070539,0.00054958);(107.085838,0.28042108);(107.090071,0.00424915);(108.089173,0.02346082);(109.028686,0.00247716);(109.061114,0.00083241);(109.065088,0.07513261);(109.068742,0.00077135);(109.101443,0.35489322);(110.068328,0.00384721);(110.10481,0.02985725);(110.108545,0.00069544);(111.04435,0.1141047);(111.080722,0.08352055);(111.117066,0.04400493);(112.047526,0.0039562);(112.08392,0.00480841);(113.059977,0.03367644);(113.096358,0.02844063);(115.0392,0.02687953);(115.054444,0.00103887);(115.07555,0.0268088);(116.052995,0.0054122);(117.055021,0.00257137);(117.070097,0.05779994);(118.073524,0.00318562);(119.0495,0.003748);(119.085721,1.0);(120.081234,0.00059614);(120.089055,0.09067443);(121.065,0.06587175);(121.101363,0.2798483);(122.068263,0.00272237);(122.104588,0.0243414);(123.044224,0.01157137);(123.080596,0.07952841);(123.116978,0.15417835);(124.083849,0.00285423);(124.120269,0.01416951);(125.021196,0.00060557);(125.059842,0.05838548);(125.096215,0.05476328);(125.1327,0.00445424);(126.063085,0.00255948);(126.099636,0.00288017);(127.075516,0.0216657);(127.111807,0.01390381);(128.061923,0.00069414);(129.054761,0.02749378);(129.070012,0.02161971);(129.091033,0.00718592);(130.159061,0.0045539);(131.070339,0.00071014);(131.080599,0.00088145);(131.085586,0.10054668);(132.088948,0.01108942);(132.101867,0.00437161);(133.064822,0.02927515);(133.085956,0.00747106);(133.101164,0.18052368);(134.068044,0.0010308);(134.104433,0.01967637);(134.978949,0.00057071);(135.044033,0.00461416);(135.080475,0.07377067);(135.11684,0.19817018);(136.083758,0.00433563);(136.120036,0.02103552);(137.05965,0.02332932);(137.096086,0.06140477);(137.132447,0.05249211);(138.099277,0.00334973);(138.135701,0.0028129);(139.037474,0.00247512);(139.075281,0.0373277);(139.111724,0.03262646);(140.078281,0.00083976);(140.114972,0.00158266);(141.054786,0.00208732);(141.069832,0.00364998);(141.090816,0.00978068);(141.127313,0.00279069);(143.070187,0.01546766);(143.085537,0.0386298);(143.106454,0.00144859);(144.088619,0.0024647);(145.06486,0.00950407);(145.101143,0.10343298);(146.104473,0.01301511);(147.080384,0.03536498);(147.116753,0.1313279);(148.08341,0.00095412);(148.120018,0.01403338);(148.585853,0.00058745);(148.972313,0.00073065);(149.023342,0.01474679);(149.059703,0.0182797);(149.096028,0.0579371);(149.132495,0.10167796);(150.09949,0.00379925);(150.135905,0.01101807);(151.0391,0.00090878);(151.075276,0.02877614);(151.111736,0.04312378);(151.148014,0.02410746);(152.115065,0.00166646);(152.151307,0.00058496);(152.951361,0.00104892);(152.989192,0.00257543);(153.054082,0.00508367);(153.09102,0.02615458);(153.127361,0.02086615);(154.09358,0.00081326);(155.070096,0.00306053);(155.085446,0.01564629);(155.106599,0.00334033);(156.138252,0.00077678);(157.064942,0.00059585);(157.085905,0.00141957);(157.101122,0.05909304);(158.104391,0.00497608);(159.080427,0.01663828);(159.116775,0.08529756);(160.120188,0.00806701);(161.059536,0.00477185);(161.096004,0.04189924);(161.132358,0.08284626);(162.09947,0.0020509);(162.1358,0.01115642);(163.075236,0.01863918);(163.111668,0.04243517);(163.148082,0.05413627);(164.115008,0.00190006);(164.151662,0.00395013);(165.054689,0.00203176);(165.090972,0.03885626);(165.127358,0.02977677);(165.163747,0.00954857);(166.130506,0.00184583);(167.069952,0.00491826);(167.106555,0.01782914);(167.143032,0.01382361);(169.085851,0.00196908);(169.101119,0.01960752);(169.122085,0.001638);(169.158734,0.00062374);(170.10449,0.00145973);(170.961978,0.00061857);(171.080373,0.00406597);(171.116732,0.04819899);(172.120119,0.00392738);(173.09608,0.03054005);(173.132436,0.05578072);(174.099286,0.00155822);(174.135818,0.00569469);(175.075321,0.0059957);(175.111715,0.03201696);(175.14031,0.0007467);(175.148068,0.05662225);(176.115138,0.00135106);(176.1513,0.00492083);(177.090985,0.01459776);(177.127238,0.02506355);(177.163739,0.0262595);(178.167537,0.00155372);(179.070081,0.0019713);(179.106554,0.01554591);(179.142905,0.01942238);(179.179315,0.00283118);(180.14671,0.00053271);(181.085505,0.00392654);(181.101236,0.00671465);(181.12216,0.01183781);(181.158578,0.00682049);(183.080254,0.0006636);(183.116879,0.02717962);(183.137297,0.00058938);(184.120137,0.00193413);(185.096029,0.00642722);(185.13249,0.03006521);(186.135772,0.00218569);(187.075365,0.00181961);(187.111674,0.02096149);(187.148027,0.03705016);(187.222758,0.00052657);(188.151647,0.00221381);(189.090937,0.00627543);(189.127377,0.01888537);(189.163708,0.03368102);(189.172704,0.00073611);(190.130567,0.00062147);(190.167258,0.00292042);(191.106626,0.01835091);(191.143015,0.01585108);(191.179487,0.0125959);(193.085318,0.00063349);(193.101451,0.00090441);(193.122368,0.01150862);(193.158763,0.01545401);(193.195073,0.00159373);(195.101038,0.00331927);(195.116827,0.011524);(195.13783,0.00733172);(195.174377,0.00238081);(197.095842,0.00229546);(197.132516,0.02233233);(198.137141,0.00135524);(199.11172,0.00941159);(199.148045,0.02495334);(200.151258,0.00143465);(201.072888,0.00081715);(201.091101,0.00238999);(201.127332,0.01794168);(201.163717,0.01840827);(202.16771,0.00095856);(203.106661,0.00477586);(203.143071,0.01436945);(203.179388,0.01433518);(205.122325,0.0096585);(205.158666,0.00867385);(205.195053,0.00736707);(207.101915,0.00104932);(207.116768,0.00317146);(207.138066,0.00517909);(207.174358,0.00931174);(208.140976,0.00075233);(209.116816,0.00238965);(209.132428,0.01268841);(209.15328,0.00282552);(209.189818,0.00152795);(211.111937,0.00315706);(211.14821,0.02300989);(212.151401,0.00302065);(213.127316,0.00893204);(213.163798,0.03307756);(213.889212,0.01037588);(213.89843,0.01071562);(214.167247,0.00323259);(215.106543,0.00377245);(215.143044,0.01085095);(215.17957,0.01237738);(217.122345,0.00322383);(217.15887,0.00603978);(217.195009,0.00546959);(219.137899,0.00524259);(219.174306,0.02013574);(219.211147,0.00304573);(221.132319,0.00321059);(221.153509,0.00280268);(221.189934,0.00270817);(223.111802,0.00129854);(223.148117,0.0068269);(223.169211,0.00355053);(225.127241,0.00207535);(225.163799,0.01114658);(227.10674,0.00213805);(227.142863,0.00977904);(227.17931,0.01132629);(229.122202,0.00387429);(229.15874,0.01298658);(229.195082,0.01033011);(230.161952,0.0006461);(231.137772,0.00258967);(231.174188,0.00357086);(231.210414,0.00254023);(233.153526,0.00960606);(233.189853,0.00594381);(235.148341,0.00283661);(235.169174,0.00498972);(235.20561,0.00258382);(237.12759,0.00057253);(237.163518,0.00390811);(237.184629,0.00254191);(237.221051,0.00303746);(239.142889,0.00227146);(239.179353,0.00481454);(240.909227,0.00084765);(241.122551,0.00200301);(241.15858,0.0049206);(241.194384,0.00071866);(243.137729,0.00053655);(243.174291,0.00313994);(243.210668,0.00469718);(245.153388,0.00300303);(245.190333,0.00149585);(245.226362,0.00195776);(247.169151,0.00457513);(247.205764,0.00725682);(247.241913,0.00324692);(249.163398,0.00189446);(249.184771,0.00183209);(249.220814,0.00264108);(251.143128,0.00066062);(251.178717,0.00276645);(251.200687,0.00433585);(253.074239,0.00066893);(253.158374,0.00187997);(253.19518,0.00807958);(254.197393,0.00073739);(255.174292,0.00290941);(255.210639,0.00257137);(257.152888,0.00112246);(257.189743,0.0020572);(259.169176,0.00395481);(261.150016,0.00052869);(261.184812,0.00139488);(261.221357,0.0051919);(261.258037,0.00069029);(263.179007,0.00069013);(263.200325,0.00103423);(263.236267,0.00192948);(265.216333,0.00492668);(265.252467,0.00311862);(269.15388,0.00177451);(269.22683,0.00058947);(271.085326,0.00097464);(271.169039,0.00350763);(271.205398,0.01156269);(271.241972,0.00706871);(272.950307,0.00054754);(273.184887,0.00143741);(273.220435,0.00140771);(275.163624,0.00176964);(275.200372,0.01179649);(275.236798,0.00149095);(276.168029,0.00052976);(276.239587,0.00056522);(278.072641,0.00084282);(279.23171,0.00349545);(279.26807,0.00557122);(281.190821,0.00109013);(281.224829,0.00055977);(283.263033,0.01119687);(284.1533,0.00084584);(285.185484,0.00086414);(287.2005,0.00164455);(289.179495,0.00268884);(289.215866,0.02073373);(289.25236,0.01725043);(290.219705,0.00132649);(290.255594,0.00053979);(293.210757,0.00401328);(293.247947,0.00061734);(296.294688,0.01976778);(297.220753,0.00063993);(297.278716,0.02620094);(297.297003,0.0031286);(298.282378,0.00174675);(299.200006,0.00575603);(299.237017,0.00344703);(301.251811,0.00079754);(301.28893,0.00145636);(303.232221,0.00130881);(305.210568,0.00060082);(305.247778,0.00290054);(307.207196,0.00107661);(307.226867,0.01454786);(307.262954,0.01418474);(311.294502,0.00437318);(313.198309,0.00161458);(317.173618,0.0013943);(317.210945,0.01435304);(317.247334,0.01489608);(318.251347,0.00068246);(319.262775,0.00672733);(319.299092,0.0087861);(329.247464,0.00267736);(335.22182,0.00602857);(335.257967,0.01702126);(344.976386,0.02016145);(345.975447,0.00083634);(347.257171,0.00352203);(347.294328,0.00287284);(355.215472,0.00142754);(356.848416,0.00156714);(366.409432,0.00875101);(367.412212,0.00071916);(371.239774,0.01065958);(379.263437,0.00211439);(396.420164,0.00115222);(397.274838,0.0009067);(402.963609,0.00370408);(406.845534,0.0037036);(413.322474,0.0017606);(414.29917,0.00057619);(414.329136,0.00828934);(414.372605,0.00188377);(414.408458,0.00306287);(415.208294,0.00322967);(415.303202,0.01362864);(415.359734,0.00165882);(416.30945,0.00200939);(416.354401,0.00085492);(416.388941,0.00326305);(416.424483,0.00614984);(417.218691,0.00068964);(417.246681,0.01068894);(417.296761,0.00056032);(417.336031,0.00305577)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.384328,0.00034739);(50.46812,0.00023186);(50.79117,0.00033899);(50.849202,0.0004076);(50.924703,0.00057213);(51.023797,0.00025819);(51.249394,0.00022242);(52.524351,0.000504);(53.001749,0.0005285);(53.002969,0.02999658);(53.039348,0.06426982);(53.472473,0.00029683);(53.745525,0.00037313);(53.998217,0.00207498);(54.006179,0.00027638);(54.042785,0.00064858);(54.170084,0.00031025);(54.923252,0.0002688);(55.017222,0.00279576);(55.018615,0.14963548);(55.055001,0.60808243);(55.091278,0.00030689);(55.182495,0.00029667);(55.308399,0.00032538);(55.935164,0.00113333);(56.022027,0.00243808);(56.040436,0.00033652);(56.050227,0.00753986);(56.058348,0.02790776);(56.965545,0.05194075);(57.03425,0.11964095);(57.070648,0.2700652);(57.459496,0.00059268);(58.007059,0.00025858);(58.037566,0.00159289);(58.065879,0.01622768);(58.074017,0.00929431);(58.803972,0.00036181);(59.01027,0.0005908);(59.049902,0.05324422);(59.061125,0.01010645);(59.677694,0.00027131);(59.991031,0.0023066);(60.045154,0.04747102);(60.053369,0.00049401);(60.056387,0.00078623);(60.583093,0.00032261);(60.883463,0.00059722);(60.904397,0.0002762);(61.011399,0.01409523);(61.029163,0.00047359);(61.96102,0.00043262);(62.019204,0.00447241);(62.060701,0.00066045);(62.982469,0.00155673);(63.589799,0.00060861);(63.616941,0.0002505);(63.638027,0.00035163);(63.99841,0.00441093);(65.039272,0.0491208);(65.244274,0.00037671);(65.674316,0.0002539);(65.750885,0.00026284);(65.976135,0.00066203);(66.042734,0.00066085);(66.047098,0.00168921);(67.018543,0.00067551);(67.054931,0.82184314);(68.050076,0.00067565);(68.058279,0.04617604);(68.073157,0.00061571);(68.080487,0.00049333);(68.997764,0.00764924);(69.026115,0.00049358);(69.0342,0.05000592);(69.070561,0.46839208);(70.065844,0.02009261);(70.073892,0.02529959);(70.981134,0.00061322);(71.01339,0.00044026);(71.049819,0.100098);(71.086186,0.08116027);(71.236561,0.00026254);(72.045093,0.00248784);(72.053171,0.00163696);(72.081418,0.00309157);(72.089477,0.00163006);(72.937721,0.00082958);(72.952606,0.00070474);(73.02906,0.04894838);(73.047502,0.00474696);(73.065429,0.03367342);(73.52627,0.00037086);(73.606112,0.0002711);(73.623533,0.00066643);(74.0607,0.00035746);(74.09701,0.03192182);(74.10187,0.00025159);(74.976003,0.00070472);(75.04472,0.00455833);(75.587631,0.00028244);(76.091977,0.00029525);(76.450564,0.00032423);(76.458267,0.00041301);(77.039237,0.00751157);(78.047005,0.00291729);(79.021788,0.03454365);(79.054816,0.55453559);(79.441789,0.00059752);(80.050078,0.00271647);(80.058188,0.03558361);(80.289323,0.00057148);(81.017519,0.00068559);(81.034075,0.04031148);(81.070455,0.89249348);(82.065734,0.00134045);(82.073808,0.05806368);(83.049704,0.17433095);(83.086095,0.20707605);(83.783267,0.00025683);(84.053004,0.00703765);(84.081286,0.00362714);(84.089413,0.01402134);(85.026413,0.00070344);(85.028973,0.03281702);(85.040221,0.01638125);(85.065325,0.07631939);(85.101752,0.02010783);(86.068685,0.00132642);(86.096918,0.00456724);(87.044597,0.0340495);(87.080988,0.00229544);(88.022109,0.00159326);(88.076191,0.00178721);(88.244725,0.00022265);(88.376913,0.00062556);(88.649319,0.00061465);(88.991454,0.00086556);(89.060246,0.02324133);(90.091912,0.00168269);(90.796318,0.00054321);(91.054728,0.58050802);(91.057638,0.03731266);(91.601704,0.00063069);(92.058045,0.04476268);(92.061343,0.0018521);(93.070321,0.58754814);(93.146568,0.00069422);(94.065544,0.00185082);(94.0737,0.04462953);(95.049585,0.16803748);(95.085958,0.6952844);(96.044888,0.00048199);(96.052936,0.00791362);(96.081161,0.00186018);(96.089308,0.04958015);(97.028771,0.00449286);(97.039974,0.00148433);(97.061723,0.00096781);(97.065205,0.1615213);(97.101585,0.08113902);(98.068547,0.00841398);(98.09695,0.00048218);(98.105016,0.00407866);(98.97579,0.00029954);(99.044483,0.04005236);(99.080875,0.02199947);(100.076211,0.00221197);(100.084186,0.00100776);(100.11245,0.00047419);(100.571494,0.00033548);(101.023845,0.00119357);(101.060135,0.02400858);(103.039555,0.00086572);(103.054575,0.03958608);(104.058848,0.00137359);(104.062373,0.0266548);(104.932105,0.00041027);(105.033829,0.00466241);(105.045124,0.02896765);(105.070216,0.35441017);(105.352851,0.00037511);(106.065376,0.00032956);(106.0736,0.03767182);(107.049476,0.05568838);(107.085858,0.35792635);(107.090049,0.00529814);(108.053164,0.00072133);(108.056786,0.00034786);(108.081603,0.0005954);(108.089214,0.02985139);(108.92595,0.00061695);(109.028594,0.00673237);(109.065109,0.11558153);(109.101459,0.25011079);(110.06837,0.00637097);(110.104833,0.01884188);(110.118031,0.00057121);(110.97586,0.000444);(111.04436,0.11215276);(111.080756,0.05902336);(111.116978,0.00488242);(111.908299,0.00040783);(112.047693,0.00278507);(112.083858,0.00182059);(112.44873,0.00059445);(113.023688,0.00043908);(113.06002,0.02430289);(113.09631,0.00592552);(114.126661,0.00070681);(114.69591,0.00028279);(115.039315,0.00941268);(115.054533,0.02918369);(115.075653,0.00775054);(115.340849,0.00032519);(116.057862,0.00057201);(116.062362,0.00366795);(116.167319,0.00058689);(116.985274,0.00180884);(117.035392,0.00049885);(117.065487,0.00341324);(117.070104,0.15732777);(118.065358,0.00056749);(118.073466,0.01429969);(118.077738,0.00069354);(118.980109,0.00029528);(119.049377,0.01000901);(119.060763,0.00904851);(119.085736,1.0);(119.144989,0.00034331);(120.081223,0.00256321);(120.089036,0.08514896);(120.093665,0.0010488);(120.144829,0.00032585);(121.028646,0.00184297);(121.065,0.0766328);(121.101372,0.1910109);(122.068385,0.00457734);(122.104699,0.01793413);(122.942331,0.00099679);(123.044247,0.01324099);(123.075525,0.00040493);(123.080588,0.08304641);(123.116983,0.05773196);(124.083915,0.00208012);(124.120414,0.00155004);(125.023803,0.00034448);(125.059843,0.05179037);(125.096217,0.02647764);(126.063622,0.00103876);(126.099436,0.00041598);(127.038826,0.00046074);(127.075444,0.00771083);(127.11174,0.00148527);(128.062255,0.02156466);(129.054823,0.01581417);(129.065412,0.00180368);(129.069963,0.06197532);(130.073086,0.00207866);(130.07794,0.00951535);(130.999941,0.00185439);(131.049218,0.00165756);(131.085594,0.1587413);(132.088977,0.01820626);(133.064841,0.03696419);(133.076183,0.00142459);(133.1012,0.15648579);(134.06806,0.00036339);(134.096418,0.00093479);(134.104675,0.0160169);(134.978784,0.00078278);(134.996526,0.00150659);(135.044096,0.00780006);(135.080528,0.06008779);(135.116873,0.08285115);(136.075642,0.00035142);(136.083601,0.00153518);(136.120222,0.00490757);(137.011763,0.00064617);(137.059642,0.02188307);(137.096029,0.03877811);(137.132665,0.01008159);(138.099439,0.00072682);(139.038543,0.00035269);(139.075372,0.02116605);(139.111754,0.01022696);(141.069915,0.02288922);(141.091295,0.00106588);(142.077922,0.02390562);(143.029168,0.00026485);(143.070338,0.00578168);(143.085632,0.06895935);(144.08055,0.00032629);(144.088257,0.00431852);(144.093797,0.00540633);(145.064948,0.02007323);(145.101178,0.12275202);(146.10459,0.01587493);(146.995743,0.00029294);(147.032465,0.00044805);(147.043719,0.00128093);(147.080376,0.03596348);(147.116769,0.07723884);(147.967192,0.00027758);(148.083546,0.00115083);(148.120243,0.00512802);(148.971881,0.0003816);(149.023413,0.0110767);(149.048758,0.00109566);(149.059752,0.01240568);(149.096131,0.03782653);(149.132468,0.03072193);(150.099472,0.00120358);(150.135913,0.00036834);(150.567604,0.00033421);(151.0069,0.00041702);(151.075572,0.01144251);(151.111755,0.01778073);(151.147405,0.00086958);(152.951511,0.00246653);(152.98925,0.00342523);(153.055043,0.00079463);(153.069906,0.00565357);(153.09097,0.00559374);(153.127244,0.00246403);(153.958893,0.00026897);(154.077607,0.00292026);(154.946765,0.00050782);(155.0606,0.00068293);(155.085429,0.03489259);(155.954975,0.00038387);(156.093552,0.00752148);(157.016633,0.0007513);(157.06479,0.00227098);(157.101187,0.07068234);(158.072824,0.00163216);(158.104076,0.00264497);(159.032851,0.00084862);(159.080483,0.02100772);(159.116893,0.06319921);(160.088403,0.00042301);(160.120025,0.00535399);(161.059754,0.00543425);(161.096104,0.02737271);(161.132346,0.02941415);(161.50937,0.00034923);(162.091471,0.00025621);(162.136091,0.00072149);(163.075498,0.01091774);(163.111752,0.01929782);(163.148229,0.00610737);(164.114446,0.00041217);(164.491619,0.00045015);(165.043941,0.00044945);(165.054463,0.00034957);(165.069907,0.00291641);(165.091021,0.02695992);(165.127449,0.00532933);(166.077953,0.0008304);(166.983094,0.00029886);(167.08568,0.00949737);(167.143155,0.00058497);(168.093553,0.00322181);(169.064631,0.00040651);(169.101152,0.03242139);(170.109399,0.00051737);(170.961904,0.00087196);(171.080424,0.00902591);(171.116895,0.03958896);(172.120001,0.00072261);(173.012003,0.00040639);(173.047974,0.00031512);(173.096177,0.0246111);(173.13263,0.0270928);(175.075423,0.00207555);(175.111844,0.01681177);(175.148134,0.00833804);(176.470325,0.00056733);(177.090736,0.00621583);(177.127533,0.00400181);(179.085725,0.00549387);(179.106329,0.00104106);(179.142974,0.0005101);(180.093244,0.00094674);(181.085992,0.00040062);(181.101214,0.01553241);(182.109504,0.00385637);(182.541041,0.00026285);(183.080418,0.00085549);(183.116956,0.02568263);(184.125273,0.0006412);(184.537372,0.00063603);(185.096366,0.00820494);(185.132516,0.0221194);(186.135936,0.00045594);(187.005103,0.00033898);(187.02781,0.00028879);(187.111755,0.01078142);(187.148331,0.00962781);(188.151879,0.00034704);(189.091221,0.00110696);(189.127354,0.00365836);(189.163716,0.00175082);(190.906222,0.00043814);(191.106418,0.00171887);(191.142994,0.00060402);(193.101162,0.00557012);(194.1088,0.00201062);(195.116808,0.0138063);(196.105793,0.00027513);(196.124656,0.00101003);(197.012377,0.00035833);(197.096276,0.00266415);(197.132655,0.01460097);(198.104046,0.00085534);(199.111858,0.00506244);(199.148124,0.0056277);(200.105794,0.00033578);(201.043519,0.0003116);(201.127646,0.0019567);(201.163594,0.00154277);(203.142985,0.0062655);(205.101207,0.00032979);(205.12264,0.0002898);(207.11683,0.00307327);(209.095655,0.00059985);(209.132658,0.00694594);(210.137973,0.00070156);(211.112054,0.0020981);(211.148193,0.00767366);(213.091478,0.0003847);(213.127967,0.00242653);(213.163909,0.0074511);(214.09897,0.00038519);(215.106668,0.00030256);(215.142917,0.00053371);(215.179464,0.001126);(216.094313,0.00040099);(217.12318,0.00062672);(218.573448,0.00030955);(219.117059,0.00216023);(219.174381,0.00343942);(220.063487,0.0028992);(221.132416,0.00119108);(223.08785,0.0003104);(223.148017,0.00124199);(223.262837,0.00027862);(224.485685,0.00025829);(225.126716,0.0008494);(225.886009,0.00235697);(227.107499,0.0003754);(227.143263,0.00145466);(231.116278,0.00039208);(233.132598,0.00044465);(234.250238,0.00058541);(234.545654,0.00068765);(235.110296,0.00042307);(235.147514,0.00122117);(237.162702,0.00106347);(237.319458,0.00037319);(238.914058,0.0003886);(239.142643,0.00037685);(240.909039,0.00747035);(242.995262,0.00040192);(249.163315,0.00040529);(251.526794,0.00023654);(253.074874,0.00033656);(259.148854,0.00037545);(261.458602,0.00027057);(264.32833,0.00023777);(267.379221,0.00025792);(270.93471,0.00072498);(271.403186,0.00041509);(274.993056,0.00070253);(281.878354,0.00068642);(282.837754,0.00032625);(287.153574,0.00034355);(298.376886,0.0002899);(299.383105,0.00067253);(309.465097,0.00052035);(319.81666,0.00045821);(323.833648,0.00032361);(326.38654,0.00026635);(326.935001,0.00049079);(328.857312,0.00037697);(340.320269,0.00036204);(344.976541,0.0158802);(351.347927,0.0005491);(373.30514,0.00074975);(376.708558,0.00030783);(388.949023,0.00051093);(399.758579,0.00031538);(402.963205,0.00118353);(407.311958,0.00032867)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.33058,0.00104958);(50.52456,0.00107412);(54.629642,0.00088774);(56.374454,0.00087886);(57.033214,0.00675654);(59.004569,0.00253656);(59.012419,0.67688878);(60.001172,0.00097922);(60.015787,0.01320347);(60.17414,0.00111791);(61.98695,0.36107175);(62.122856,0.00098885);(62.595613,0.00125057);(63.911521,0.0010768);(63.961064,0.05317155);(64.292059,0.00103489);(65.255787,0.00117395);(65.858482,0.00100889);(69.033167,0.03539376);(70.192706,0.00097157);(70.960771,0.00109851);(71.012389,0.01062694);(71.582336,0.0011332);(72.453751,0.00097123);(72.754787,0.00126986);(72.790602,0.0011024);(72.875488,0.00100804);(72.991686,0.03692654);(73.028012,0.00388848);(74.023344,0.00153812);(75.007307,0.01241104);(76.469757,0.00103551);(77.612941,0.00100349);(78.984535,0.13444634);(79.021692,0.00098601);(79.955979,0.05515732);(80.814648,0.00099204);(80.963776,0.08502065);(80.980337,0.00432619);(81.033207,0.01589863);(81.517429,0.00101843);(82.241393,0.00097443);(83.048834,0.138585);(83.611351,0.00110716);(84.05217,0.01481867);(85.027877,0.00136237);(85.039743,0.00111563);(85.433983,0.00118312);(87.007437,0.02365855);(88.456668,0.00099281);(89.023019,0.12559667);(89.824864,0.00105893);(90.446587,0.00104968);(92.491525,0.00109305);(92.910067,0.00108127);(92.926633,1.0);(93.448306,0.00108843);(94.374258,0.00101197);(94.923714,0.62207948);(94.979465,0.15775855);(95.732008,0.00105206);(96.920768,0.0866896);(96.958737,0.09265251);(97.02865,0.00117671);(97.064477,0.01711648);(97.235409,0.00096517);(97.940254,0.00114007);(99.007408,0.01406358);(99.043496,0.00103337);(99.924548,0.00125327);(100.932421,0.00159999);(101.023057,0.00219127);(101.059851,0.00250106);(102.018219,0.0009699);(102.101438,0.00098489);(102.955499,0.0029808);(103.918917,0.0083254);(104.63632,0.00091407);(105.873004,0.00110152);(110.974356,0.00672573);(111.057606,0.00121311);(111.080281,0.00709647);(113.02312,0.01398996);(114.023116,0.03436862);(114.615629,0.00103843);(115.019497,0.12100216);(115.074918,0.00111797);(115.919424,0.02207258);(116.927341,0.00706225);(116.971163,0.04813556);(117.035148,0.00251376);(117.77451,0.00106065);(118.89873,0.00108607);(118.968271,0.00854488);(119.015938,0.00266824);(119.945713,0.48979023);(121.02828,0.02129047);(121.920887,0.00264866);(121.942795,0.15843069);(122.974493,0.00118146);(123.417007,0.00102196);(123.698191,0.00104042);(125.095935,0.1941202);(125.872012,0.01163796);(125.938715,0.00100612);(126.879957,0.00422485);(126.999989,0.01982741);(127.868376,0.00168773);(127.87307,0.01297998);(128.016728,0.00148489);(128.034008,0.00683454);(128.87023,0.05336101);(128.876761,0.01644949);(129.054523,0.00268475);(129.869083,0.08088706);(129.877729,0.00174019);(130.867358,0.03160627);(130.87375,0.00932835);(130.942853,0.02033325);(130.950481,0.02122751);(131.865143,0.02053285);(132.947579,0.00358724);(132.966193,0.02074662);(133.990274,0.00271384);(134.963183,0.00108778);(136.943382,0.06969663);(138.940377,0.0053033);(139.032124,0.00108934);(140.771505,0.00130749);(141.015723,0.02956421);(141.091166,0.00115653);(142.979494,0.00140208);(143.106306,0.00111109);(143.8641,0.00108178);(144.339511,0.00102292);(145.049416,0.00410396);(146.964738,0.00950438);(146.971596,0.00323451);(146.974775,0.00126683);(146.981876,0.1001132);(147.433719,0.00126136);(148.978951,0.02447557);(150.885461,0.06330522);(150.987782,0.00627113);(151.006158,0.0010411);(151.943429,0.00128414);(152.802168,0.00109174);(152.88255,0.06290484);(152.938221,0.06870025);(154.87979,0.01375848);(154.935296,0.01044193);(154.946177,0.00196212);(156.221725,0.00104918);(157.122399,0.00161783);(157.86207,0.01166801);(158.845531,0.04308203);(159.859275,0.00452074);(159.877703,0.0031638);(160.840905,0.09174478);(160.987812,0.00461731);(161.856363,0.00101256);(162.837945,0.01841175);(164.822234,0.00113974);(164.837446,0.00111473);(164.966919,0.00136513);(165.836027,0.00716654);(165.911649,0.00790489);(165.956253,0.00192162);(165.996138,0.00126502);(166.834555,0.00550237);(166.948537,0.00363929);(167.031434,0.00523963);(167.908183,0.00269622);(168.913161,0.01244549);(168.963987,0.00483141);(168.998367,0.02072892);(169.0107,0.00190657);(169.085484,0.00131912);(169.12229,0.00109357);(171.101629,0.1964762);(171.725185,0.00118047);(171.982235,0.00120215);(172.105171,0.00165032);(172.957044,0.00545429);(174.9328,0.00123754);(174.991127,0.00137083);(175.042233,0.03036163);(175.250817,0.00101522);(176.89957,0.04960108);(177.904539,0.01922089);(177.912461,0.00582003);(178.543773,0.00105598);(178.896742,0.02776589);(179.024794,0.00103912);(179.901749,0.01599235);(179.95783,0.00249854);(180.032584,0.01133296);(181.897205,0.00395759);(181.991144,0.00179063);(182.978204,0.00130438);(183.012116,0.00117614);(183.140577,0.00119224);(183.326794,0.00100662);(183.768762,0.00100264);(183.922102,0.02425773);(184.877433,0.0031424);(184.953874,0.0028113);(185.52396,0.00110402);(185.874264,0.0185582);(185.919388,0.00413888);(186.112728,0.01064786);(186.874604,0.00145319);(186.974648,0.02754043);(187.096818,0.09908359);(187.133037,0.00330804);(187.873354,0.00591757);(188.110052,0.00112711);(188.872008,0.00138784);(189.750133,0.00110491);(189.956124,0.00292283);(190.880374,0.00106272);(190.980338,0.031303);(190.998087,0.00100673);(191.036666,0.01166038);(192.194242,0.00119258);(192.335925,0.00110047);(192.957813,0.01813279);(193.084109,0.01159728);(194.166082,0.0009945);(194.939354,0.00126374);(195.810121,0.00601387);(197.806793,0.00854905);(200.002077,0.00144996);(200.944417,0.00869361);(205.159616,0.00125121);(207.967029,0.01123633);(208.844927,0.00132498);(209.07904,0.01223931);(210.081369,0.00117093);(210.117359,0.00109317);(210.841858,0.01183292);(211.084124,0.00106781);(211.409743,0.00117627);(211.587006,0.00110745);(212.838475,0.00115126);(213.976338,0.03453202);(213.995446,0.00720393);(219.844311,0.00121475);(220.852431,0.00192997);(221.154235,0.10300654);(223.027894,0.03749348);(225.007071,0.00576243);(226.922929,0.00649713);(228.965565,0.00639349);(234.858865,0.08247469);(235.028269,0.00126962);(236.029545,0.00224777);(236.095034,0.0028827);(236.85586,0.16575596);(237.07711,0.00540178);(238.852521,0.03422405);(238.887063,0.00144719);(241.216882,0.03100925);(242.175821,0.0047084);(242.220409,0.00611415);(243.12454,0.00174134);(244.845058,0.00137733);(246.935728,0.00307366);(247.638905,0.00129049);(247.970411,0.0014692);(248.127859,0.00104717);(248.939422,0.01521451);(248.953441,0.00141361);(248.967782,0.00620723);(249.111294,0.00332228);(249.150674,0.00265574);(250.93421,0.00387098);(250.947905,0.11664883);(250.967447,0.0078899);(251.201346,0.03766895);(252.073376,0.00134261);(252.898298,0.01653484);(253.020328,0.00745739);(253.217223,0.00123395);(254.907159,0.00136998);(255.232755,0.15597608);(256.236224,0.02760953);(261.134497,0.01150349);(263.238085,0.00111898);(264.965983,0.003244);(266.980632,0.00126696);(268.923475,0.00184598);(268.944433,0.00122629);(268.978381,0.00532425);(269.248338,0.00650687);(271.074553,0.00929513);(272.984654,0.00138678);(275.002358,0.01604519);(280.820991,0.00105506);(281.248263,0.00112306);(282.995108,0.01786115);(283.264052,0.0755721);(283.995963,0.00176577);(284.267567,0.00921728);(284.929652,0.00166462);(284.974418,0.05807601);(284.990863,0.00361868);(285.974578,0.00267951);(286.890404,0.00302541);(288.204993,0.00941507);(291.09933,0.00106951);(293.17902,0.00593675);(294.18186,0.00451511);(294.814915,0.00972236);(294.994074,0.00329501);(295.138085,0.00114896);(296.812322,0.01043938);(297.152677,0.28881424);(298.155753,0.02945131);(299.026269,0.00590168);(299.252245,0.00118687);(299.88813,0.00598228);(300.395492,0.00111316);(301.005556,0.0045056);(303.894331,0.00136508);(306.943478,0.00655495);(307.984115,0.00636848);(309.010256,0.00148837);(309.02847,0.00422226);(309.981848,0.02135728);(310.988539,0.0012782);(311.053073,0.01164342);(311.168465,0.68260209);(311.296287,0.00170332);(311.914538,0.00414108);(311.942261,0.00420078);(312.171766,0.11679589);(312.892444,0.00132271);(312.91295,0.00246379);(312.968529,0.00361754);(313.163195,0.00638531);(314.873702,0.02066015);(314.904334,0.00668231);(314.985336,0.00124892);(316.882999,0.00145684);(316.902351,0.00160408);(316.963029,0.00156396);(317.898234,0.00836149);(318.862133,0.00128689);(321.812796,0.00400303);(323.007399,0.00134108);(323.811417,0.00176409);(324.968356,0.00292949);(325.18443,0.01666628);(326.186749,0.0013555);(327.180357,0.05954163);(328.183517,0.00620874);(330.997598,0.05432011);(331.906075,0.01679491);(331.999028,0.00366378);(332.914235,0.02553455);(333.206327,0.00616706);(333.278331,0.00152821);(333.902327,0.00130837);(333.917238,0.00120332);(334.911847,0.01160419);(334.969053,0.0335403);(335.972316,0.00158835);(337.861322,0.0043638);(337.994153,0.01030462);(339.199737,0.02699329);(341.018451,0.037376);(341.952542,0.00358018);(341.998953,0.01752903);(342.961626,0.04310973);(343.962971,0.0031892);(349.347488,0.0012733);(350.350503,0.00511379);(351.993012,0.00154317);(352.976578,0.00144159);(352.99785,0.01526869);(353.196721,0.00219973);(353.217465,0.0289827);(353.342843,0.01854378);(353.988625,0.04906048);(354.221191,0.03455199);(354.346233,0.00387304);(354.865696,0.00314838);(354.988133,0.00296544);(355.194872,0.00963108);(355.322504,0.0030995);(356.942856,0.00116352);(357.014566,0.00513659);(357.902913,0.0055756);(357.955053,0.00130608);(358.014094,0.00129888);(358.992658,0.05437973);(359.882548,0.00119962);(359.919637,0.00147417);(359.99336,0.02124248);(360.971411,0.00755512);(360.992308,0.00554389);(365.378417,0.04921179);(366.38188,0.04587793);(367.385949,0.00321812);(369.195376,0.007557);(370.868767,0.00156627);(371.211619,0.01769758);(371.331921,0.00161207);(372.867639,0.00279431);(375.024538,0.00775838);(375.912751,0.01760663);(376.025199,0.00984615);(377.001335,0.00128044);(377.024561,0.00138809);(377.911473,0.00575641);(378.846704,0.00790662);(381.105793,0.06176848);(381.337323,0.00355402);(382.108453,0.01170733);(383.102514,0.03725203);(383.986567,0.00114781);(389.326509,0.00122818);(393.872943,0.00548595);(394.934817,0.00139343);(395.222308,0.00307529);(395.83112,0.01015248);(397.310122,0.00144262);(398.900565,0.00952437);(401.057766,0.00114708);(411.384499,0.06007901);(411.411706,0.00336494);(411.879252,0.0016346);(412.012688,0.0012877);(412.136855,0.03098945);(412.245648,0.0493059);(412.278864,0.00263048);(412.355249,0.00356571);(412.387385,0.08390791);(412.824683,0.01679128);(413.132927,0.02745447);(413.165107,0.00134051);(413.22107,0.06660184);(413.390537,0.00659673);(414.132177,0.0102683);(414.225745,0.00818287);(415.001689,0.01520767);(415.14244,0.00150941);(415.196315,0.00322412);(415.321577,0.03044029);(415.351379,0.00123301)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.206683,0.00156282);(51.344478,0.00142241);(51.608264,0.00163243);(52.257374,0.00155874);(52.509793,0.00129452);(54.214028,0.00168966);(54.420836,0.00144901);(55.806581,0.0015064);(56.029758,0.00147192);(56.928491,0.00157795);(57.033197,0.01073252);(57.499317,0.00157657);(59.012426,0.65034235);(59.655964,0.00137269);(59.680691,0.00152885);(59.997951,0.00152203);(60.015776,0.010576);(61.551905,0.00146559);(61.986951,0.53692379);(63.961047,0.09119443);(65.526961,0.00162673);(65.804085,0.00199483);(66.787587,0.00146401);(66.937746,0.00149409);(69.033154,0.03535731);(71.012443,0.01165808);(71.04874,0.00368268);(71.136593,0.00156608);(72.320583,0.0014732);(72.991673,0.04306385);(74.748833,0.00147304);(74.960564,0.00448359);(75.007365,0.02042659);(78.042915,0.00171136);(78.226725,0.00158752);(78.775584,0.00159748);(78.957536,0.00364958);(78.984503,0.12409508);(79.955986,0.10216885);(80.963825,0.09359461);(81.033136,0.02993951);(81.035588,0.00169734);(81.576786,0.00154224);(82.014401,0.00156326);(82.427003,0.00175622);(83.048845,0.11419304);(84.052144,0.0104017);(85.028069,0.00169157);(87.007313,0.02450807);(88.775124,0.0017021);(89.02303,0.16355229);(89.041355,0.00218104);(91.020352,0.00144993);(92.613146,0.0015038);(92.909561,0.00162204);(92.926637,1.0);(93.033097,0.00167105);(94.923718,0.65152981);(94.941407,0.00146653);(94.979442,0.22972953);(95.049082,0.00180804);(96.920803,0.08360242);(96.958748,0.16762257);(97.064552,0.02257946);(97.456199,0.00136502);(98.954512,0.00520917);(99.007468,0.00839482);(99.924333,0.0067673);(101.05955,0.00184102);(103.33638,0.00151927);(103.919012,0.01082828);(103.986046,0.00147346);(106.850252,0.0015274);(109.027988,0.00226811);(110.9745,0.00788913);(111.044609,0.0017947);(111.080048,0.00185623);(112.977931,0.00146642);(113.023369,0.00251003);(113.198676,0.00171742);(113.805634,0.00146698);(114.023249,0.02799571);(115.019541,0.09511411);(115.810715,0.00158669);(115.919364,0.03350602);(116.927294,0.00852487);(116.971112,0.02798331);(117.017093,0.00149725);(117.034884,0.00181259);(118.967976,0.00167644);(119.015869,0.00671353);(119.384963,0.00153434);(119.940977,0.00496366);(119.945707,0.3281669);(120.174749,0.00185001);(120.848241,0.00195145);(121.028253,0.01202522);(121.142404,0.00179552);(121.920994,0.00784502);(121.942791,0.12150502);(123.080026,0.00192943);(125.095889,0.16542875);(125.872072,0.01616196);(126.879847,0.03510003);(126.999959,0.00545022);(127.868373,0.00535228);(127.87287,0.009382);(128.034159,0.00246534);(128.870395,0.05187883);(128.87686,0.031664);(129.869199,0.06668761);(129.877288,0.00204562);(130.867489,0.03876742);(130.873771,0.01103459);(130.94271,0.01401716);(130.950526,0.00798495);(131.525101,0.00142747);(131.865513,0.01636377);(132.966201,0.00946538);(132.995601,0.00184451);(133.990591,0.00466945);(136.943314,0.03304416);(141.015694,0.00619212);(143.926951,0.00147972);(144.966379,0.00736808);(145.049727,0.00153326);(145.964868,0.00153955);(146.871188,0.00159714);(146.98192,0.04468956);(148.978879,0.00680123);(149.096022,0.00146616);(150.885621,0.01196408);(150.987442,0.01093198);(152.882546,0.01703712);(152.93838,0.03819652);(154.879835,0.00400527);(154.935143,0.00380861);(154.946196,0.01252345);(156.114734,0.00148172);(157.862108,0.01604223);(158.845574,0.04334947);(159.732634,0.00157643);(159.859177,0.00872111);(159.87799,0.00170245);(160.840955,0.09102076);(162.837975,0.0187272);(164.836619,0.00148548);(164.966987,0.001789);(165.836382,0.00527431);(165.911545,0.00183777);(165.956083,0.00178346);(166.834104,0.00171183);(166.910536,0.00211401);(166.948289,0.00682414);(167.031276,0.00501343);(167.908923,0.00152655);(167.945184,0.00142992);(168.913407,0.00554431);(168.998486,0.00759597);(169.924791,0.00154686);(171.10159,0.14887366);(171.982312,0.00264659);(173.720935,0.00208804);(174.99156,0.008719);(175.042255,0.02962687);(176.124605,0.00146417);(176.899697,0.09239378);(176.928327,0.01038827);(177.912533,0.00158784);(178.896718,0.05747924);(178.982437,0.00159391);(180.03298,0.00452797);(181.990724,0.00172884);(183.01106,0.06849719);(183.922104,0.00350216);(184.474296,0.001485);(184.87638,0.00460137);(185.006646,0.00160391);(185.873946,0.01404359);(185.918863,0.00172431);(186.974723,0.01911184);(187.096848,0.04809793);(187.27536,0.00151296);(187.873115,0.0038318);(190.980479,0.03267973);(192.958086,0.00552577);(193.084074,0.01080968);(194.938956,0.00381549);(196.992902,0.00215751);(197.027054,0.0021607);(197.807431,0.00298612);(200.001641,0.00161186);(202.885985,0.00200759);(205.159381,0.00200836);(209.079107,0.00215173);(212.049108,0.00156362);(213.076708,0.00174039);(213.318858,0.00174574);(213.975687,0.05022077);(219.847226,0.00178989);(219.978533,0.00156045);(220.146828,0.00190158);(220.729233,0.00192696);(220.852244,0.00441053);(221.153928,0.09547967);(223.027818,0.0275652);(224.228164,0.00159048);(224.84657,0.00163963);(225.007377,0.00548596);(226.9232,0.00208631);(228.965309,0.00436365);(232.923605,0.00202704);(234.859005,0.03007762);(235.816375,0.00161996);(236.85565,0.06284818);(238.852399,0.01367806);(241.217955,0.00370822);(242.220247,0.00264728);(246.935783,0.00481743);(248.938634,0.00381145);(248.968145,0.00198033);(250.921328,0.00170304);(250.947841,0.11181275);(251.20108,0.02843216);(252.898554,0.00530083);(253.001241,0.00184806);(254.905863,0.00548045);(255.232878,0.10650259);(256.236256,0.00565877);(256.960489,0.00473525);(258.894924,0.00159582);(261.304671,0.00173133);(262.68043,0.00182682);(264.965278,0.00608503);(266.963545,0.00355546);(266.981367,0.00162547);(268.94266,0.00547063);(270.921925,0.00413083);(274.880627,0.00184779);(275.002096,0.01029885);(279.855405,0.00182966);(282.931504,0.00171042);(282.995579,0.01896901);(283.264125,0.04696037);(284.267087,0.00204846);(284.927552,0.00186146);(284.974662,0.04839384);(288.204646,0.00167666);(292.978031,0.00358034);(293.17963,0.00238348);(294.181231,0.00184577);(294.957734,0.00763979);(295.135547,0.00172761);(296.347341,0.00170303);(297.15275,0.2669344);(298.156324,0.02281253);(299.887766,0.00778477);(307.983784,0.00174275);(309.010082,0.01009937);(309.981287,0.01041461);(311.168479,0.56867329);(312.17185,0.09528191);(312.893807,0.0043508);(312.968927,0.0283456);(314.873048,0.02997021);(314.904498,0.01263477);(316.882823,0.00887314);(316.901155,0.00240692);(318.881989,0.00179735);(321.81231,0.0056935);(324.968714,0.00295344);(325.967674,0.00140472);(327.180879,0.04286226);(328.183077,0.00275889);(330.997766,0.04301814);(331.906238,0.00678458);(332.249725,0.00171267);(332.914435,0.01259585);(334.910926,0.00469673);(334.969098,0.03398425);(338.799397,0.00161627);(338.984501,0.00183074);(339.199674,0.00729263);(341.018109,0.01183025);(342.962096,0.04880758);(343.962574,0.00198987);(352.979522,0.0020529);(353.215741,0.03006708);(353.343681,0.00234805);(354.219492,0.02030521);(355.197414,0.00153418);(358.993181,0.02142527);(359.993222,0.00628376);(360.970471,0.00244132);(361.026377,0.00172636);(365.37824,0.04670672);(366.381984,0.04243959);(367.180465,0.00312145);(369.199056,0.00231878);(371.211289,0.00248878);(378.847402,0.00667071);(381.106111,0.01891496);(382.107282,0.00181609);(383.102858,0.01160586);(391.204614,0.00203396);(398.098388,0.0016511);(412.245091,0.00769224);(412.825117,0.0127982);(415.003463,0.0021743)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.109008,0.00201184);(50.137004,0.00204453);(50.492947,0.00251677);(50.761293,0.00204279);(51.900491,0.00210515);(52.072705,0.0017812);(52.425233,0.00195785);(52.726365,0.00182508);(53.66598,0.0019759);(54.141331,0.00221581);(54.491423,0.00206133);(57.033159,0.0143217);(57.312511,0.00183822);(59.012427,0.71307373);(60.015826,0.00673276);(61.98695,1.0);(61.995539,0.00210383);(62.154241,0.00226101);(62.952254,0.00208064);(63.961011,0.19196092);(64.333128,0.00191387);(65.832872,0.00209252);(65.956751,0.00279089);(67.86669,0.0020832);(69.03318,0.02623365);(69.407815,0.00208039);(71.012442,0.01887664);(71.048836,0.0034008);(72.588639,0.00201213);(72.604335,0.00205432);(72.989884,0.00209751);(72.991671,0.06537911);(73.028021,0.00483989);(73.809532,0.00215913);(74.989449,0.00480894);(75.007375,0.03331003);(75.78301,0.00267708);(76.968696,0.01176102);(77.32165,0.00222092);(78.957655,0.01240834);(78.984513,0.14732564);(79.953515,0.00378315);(79.955976,0.30732261);(79.958671,0.00269674);(80.963794,0.14689716);(81.033212,0.07082499);(81.951794,0.0068469);(82.362451,0.00201802);(83.04887,0.08340267);(83.999712,0.00202959);(85.064636,0.00213379);(87.007413,0.03394087);(88.461167,0.00279893);(88.529035,0.00220917);(89.023014,0.21218995);(89.528845,0.00207473);(90.026475,0.00242326);(90.318135,0.00220778);(90.947972,0.00291603);(91.541536,0.00218451);(92.013008,0.00207678);(92.926635,0.91977786);(92.999964,0.04535148);(93.033201,0.00456283);(94.923721,0.6583267);(94.97944,0.35507484);(96.200981,0.00202817);(96.920761,0.0940506);(96.958781,0.29135955);(96.975346,0.00324563);(97.064599,0.02246348);(98.454995,0.00205663);(98.954552,0.01635701);(99.924513,0.01508614);(102.924925,0.00207346);(103.918885,0.01400559);(105.000221,0.00260807);(106.644084,0.00242558);(107.522473,0.00195395);(108.020342,0.0037378);(109.033581,0.00213169);(110.872482,0.00179848);(110.974277,0.00817196);(113.429426,0.0020652);(114.023146,0.01185471);(114.731537,0.00220552);(115.019464,0.05743926);(115.293737,0.00191651);(115.856158,0.00192728);(115.919447,0.06788532);(116.927184,0.00838768);(117.044877,0.00228791);(118.293452,0.00205435);(118.898604,0.00258323);(118.940624,0.00208183);(119.016038,0.00305839);(119.048935,0.01605862);(119.945769,0.10193625);(120.054292,0.00216868);(121.028172,0.00580146);(121.921035,0.01415812);(121.942715,0.02100558);(122.245849,0.00231648);(123.044038,0.0022486);(123.080268,0.00378509);(124.893591,0.0025675);(125.096023,0.08696033);(125.872194,0.02075067);(126.238486,0.00246223);(126.87975,0.0383427);(126.976494,0.00236851);(127.868481,0.00782964);(127.873079,0.00869216);(128.034057,0.00339329);(128.870255,0.06683098);(128.876874,0.02839977);(129.044044,0.00275407);(129.869081,0.07938292);(130.867333,0.044591);(130.873317,0.00551084);(130.942553,0.01197488);(131.865352,0.01492984);(132.995147,0.00608722);(134.725462,0.00231723);(134.893483,0.00217953);(135.178009,0.00216516);(139.357154,0.00238214);(139.518953,0.00243802);(140.114743,0.00213236);(141.091127,0.00237283);(141.867019,0.00532983);(144.516514,0.00215392);(144.966374,0.01295613);(149.008468,0.0055973);(150.987828,0.03768878);(153.616064,0.002272);(154.946264,0.04114232);(156.466001,0.00224983);(157.862055,0.02889827);(158.845512,0.04367473);(159.859117,0.02463935);(159.87727,0.0059031);(159.960721,0.00237675);(160.472349,0.0021311);(160.84104,0.09380332);(162.838303,0.01668533);(162.892952,0.00222317);(164.967302,0.01707582);(167.908106,0.00623101);(168.997231,0.00225625);(170.003397,0.02114134);(171.101373,0.01434714);(172.957743,0.00225931);(174.185642,0.00211178);(174.949126,0.00273497);(175.042209,0.02503072);(176.899747,0.05170713);(176.928413,0.05204333);(178.115434,0.00210409);(178.896632,0.03146389);(178.982767,0.00265983);(183.01113,0.8896285);(184.014429,0.04081325);(184.875789,0.02510874);(185.007028,0.07953794);(185.015555,0.00271934);(185.87393,0.00238838);(187.874024,0.00341826);(188.871718,0.00279415);(190.259143,0.00204894);(190.98068,0.03000157);(193.0843,0.00303576);(196.241963,0.00210753);(197.027047,0.09950942);(198.034768,0.00518688);(199.022982,0.00904193);(199.89786,0.00245352);(200.516857,0.00224869);(202.886586,0.02435082);(205.158636,0.00236435);(206.996329,0.00276371);(207.962452,0.00202665);(208.91205,0.00324254);(208.975675,0.02795225);(210.955001,0.02842795);(211.042969,0.00282843);(214.346518,0.00217692);(214.913368,0.02387378);(215.333833,0.0021257);(216.009382,0.00580184);(220.164604,0.01006227);(220.177415,0.0100239);(221.154231,0.07895754);(223.028126,0.01435773);(224.933977,0.00712538);(225.005909,0.00216286);(226.728773,0.00249769);(226.923092,0.00257468);(228.761889,0.00224308);(238.488469,0.00256549);(238.950009,0.03238404);(239.074703,0.00209173);(241.835903,0.00257865);(242.864767,0.00303247);(242.881546,0.00338618);(244.843078,0.01806842);(248.936835,0.00239951);(248.969923,0.00303343);(250.947997,0.1335269);(254.906423,0.01360637);(255.232484,0.00296214);(264.927433,0.00202987);(265.923456,0.00224222);(266.963488,0.01000176);(266.980778,0.00234016);(268.943209,0.07342251);(269.217735,0.00227445);(269.945004,0.00235483);(270.92243,0.02153641);(272.902532,0.00210198);(274.880869,0.00240226);(278.943,0.01100556);(279.273626,0.00248419);(280.943237,0.00304756);(284.974457,0.00542516);(284.994481,0.00245948);(286.890171,0.00725657);(294.958705,0.00284104);(297.152873,0.09579604);(298.156249,0.0071816);(298.667517,0.00231825);(299.887493,0.00430153);(302.874298,0.00258134);(304.853411,0.00240782);(311.16864,0.12128564);(312.172137,0.00955386);(312.893974,0.00263289);(313.380565,0.00211138);(314.87326,0.05085825);(316.882097,0.00783077);(316.900898,0.00252934);(318.859761,0.00238159);(318.879099,0.00272751);(320.859277,0.00292588);(327.178256,0.0023716);(336.855329,0.00318774);(342.467043,0.00291419);(342.9618,0.03353072);(349.926216,0.00273855);(373.90395,0.00249474);(380.807424,0.00294512);(402.250657,0.00230751)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(53.002961,0.00129591);(55.018584,0.00124608);(55.054974,0.04360147);(56.050227,0.00498046);(57.034243,0.01805396);(57.070602,0.55935166);(57.516655,0.00051891);(58.065848,0.00574203);(58.073952,0.02073916);(58.627444,0.0005443);(59.049856,0.01008695);(59.061087,0.01748208);(59.990951,0.22981014);(60.045105,0.24792591);(61.01135,0.0244961);(61.04845,0.00291925);(61.986723,0.00215719);(62.019184,0.01538788);(62.98241,0.04352764);(62.990456,0.00158814);(63.998416,0.02913768);(67.054902,0.0645445);(68.058322,0.00165259);(69.034094,0.00577905);(69.070523,0.08582555);(70.065776,0.01152219);(70.0739,0.00261986);(71.049756,0.01454524);(71.086155,0.09385112);(72.045058,0.0047803);(72.081379,0.00565229);(72.08952,0.00053634);(73.028991,0.01633187);(73.04743,0.06651564);(73.065427,0.00161286);(74.046911,0.0005176);(74.060653,0.00163707);(74.097002,0.00268888);(75.026579,0.00169056);(75.044673,0.00922919);(76.076239,0.00061434);(78.956211,0.00167187);(79.021762,0.4637121);(79.054804,0.01713697);(80.025107,0.00178855);(80.948388,0.15693216);(81.000727,0.00277025);(81.019018,0.00191013);(81.070401,0.10499717);(82.073762,0.00487996);(82.945387,0.05115);(83.049657,0.00630875);(83.086034,0.09943355);(84.081286,0.00406313);(84.089345,0.0027924);(85.028863,0.00562291);(85.040146,0.04371282);(85.06531,0.01319588);(85.098941,0.00057944);(85.101674,0.05505746);(86.060506,0.0076238);(86.09687,0.00662698);(87.044556,0.03813218);(88.021979,0.00353747);(88.076181,0.00823079);(88.978555,0.00629736);(89.06017,0.12077178);(89.751152,0.00051335);(90.063513,0.00224421);(91.054971,0.01892137);(91.057783,0.4334247);(92.057364,0.01632493);(92.061069,0.0089096);(93.037036,0.01235612);(93.054667,0.00593459);(93.070311,0.03195385);(95.016255,0.00105222);(95.049544,0.00298087);(95.085915,0.12049755);(95.089267,0.00071644);(96.081341,0.00056979);(96.089225,0.00585743);(96.922153,0.02834718);(97.040053,0.00279092);(97.065163,0.0272554);(97.101577,0.09587946);(98.060259,0.00072122);(98.096848,0.0021062);(98.104829,0.00468439);(98.919223,0.00462589);(99.044493,0.00429291);(99.080748,0.00481408);(100.076069,0.02739038);(100.112444,0.00286296);(101.003467,0.04154174);(101.060011,0.00486287);(102.091745,0.00295688);(103.039243,0.00896431);(103.054451,0.00051534);(104.992583,0.02233344);(105.033716,0.00070691);(105.069976,0.00898504);(105.073447,0.01532132);(107.04919,0.00061248);(107.070517,0.00673282);(107.085807,0.0429267);(107.967015,0.01983584);(108.07855,0.00649193);(108.089032,0.00201108);(109.064903,0.01115742);(109.068601,0.00219295);(109.101421,0.096417);(110.104748,0.00371839);(111.044231,0.00271909);(111.080685,0.01956619);(111.117052,0.03683242);(112.075739,0.00054918);(113.059975,0.00252095);(113.096249,0.00124844);(114.091593,0.01849398);(115.07562,0.00227623);(116.053003,1.0);(116.070715,0.00054035);(117.056366,0.04407542);(117.060605,0.00052274);(117.070029,0.00805761);(118.048831,0.02273316);(118.97168,0.00708503);(119.085684,0.47572606);(120.081188,0.00065035);(120.08903,0.03961754);(120.987323,0.00224682);(121.064887,0.06124177);(121.101295,0.03607685);(122.068278,0.00052173);(123.080489,0.00497576);(123.116903,0.0352607);(124.120071,0.00057438);(125.096192,0.03153834);(125.13251,0.00698046);(127.111824,0.00533585);(128.107039,0.01306622);(128.143593,0.00220309);(128.953439,0.01196509);(129.054525,0.0027054);(130.086281,0.00059992);(131.070156,0.00457058);(131.085478,0.00510624);(132.10174,0.01309588);(132.987198,0.00654456);(133.064732,0.00594954);(133.08589,0.03888255);(133.101053,0.01146014);(134.997005,0.00079473);(135.002744,0.09489175);(135.080389,0.0176646);(135.116752,0.0336946);(136.006156,0.00115687);(136.119895,0.00059641);(137.09603,0.00466697);(137.132385,0.01167108);(138.127485,0.00405365);(139.074826,0.00112135);(139.111666,0.00918786);(140.067937,0.00253111);(140.959185,0.00326562);(142.122753,0.00516822);(142.159069,0.00119392);(142.938472,0.00704849);(145.049502,0.00052575);(145.064644,0.00653227);(145.10099,0.00804572);(147.080245,0.00216876);(147.091863,0.00055364);(147.116655,0.01137966);(148.07586,0.00051673);(149.023274,0.00247813);(149.09617,0.00328673);(149.132419,0.02204053);(150.950853,0.00183001);(151.075288,0.0025094);(151.096292,0.00168979);(151.111236,0.00155882);(151.148041,0.00441987);(153.090967,0.00303693);(153.127185,0.00332515);(154.122562,0.01551968);(155.022033,0.00062485);(155.105978,0.00066511);(156.138198,0.02055729);(156.984799,0.00531645);(157.101209,0.00314756);(159.116706,0.00889257);(160.096849,0.0006915);(160.932827,0.00084756);(161.096121,0.00146763);(161.132328,0.00861081);(162.989887,0.00136124);(163.074732,0.00104293);(163.111602,0.00244917);(163.122928,0.01390092);(163.147895,0.01168487);(164.920435,0.03480862);(165.090883,0.022517);(167.055385,0.00330006);(167.117945,0.00558769);(167.143104,0.00144223);(169.133619,0.00073249);(170.153663,0.00077205);(171.005073,0.00060856);(171.116804,0.00054351);(171.137705,0.00555244);(171.149603,0.00054648);(172.115268,0.48400437);(172.132896,0.00069449);(173.059748,0.00316293);(173.118716,0.04388712);(173.132307,0.00420182);(174.111223,0.01046831);(174.995359,0.00819175);(175.075478,0.00396623);(175.095965,0.00060411);(175.111664,0.00108851);(175.147894,0.00349194);(177.090211,0.00055449);(177.112156,0.00118766);(177.127716,0.00170934);(177.139081,0.0010592);(177.163849,0.00545154);(178.899218,0.00089333);(178.984303,0.00051379);(179.105374,0.00059232);(179.969934,0.00089123);(180.895006,0.0082275);(180.952294,0.00057036);(181.000362,0.00385041);(181.08594,0.00084075);(181.158389,0.00070594);(184.169769,0.00067261);(184.979639,0.00288652);(185.010479,0.00066523);(185.059492,0.00972244);(185.128234,0.00052996);(186.995532,0.00114142);(187.111166,0.00063572);(187.147811,0.0015765);(188.167071,0.00057207);(188.966029,0.00057616);(189.005936,0.0065723);(189.01552,0.0044049);(189.054641,0.00056695);(189.112128,0.00343306);(190.018645,0.0017564);(191.105177,0.00150181);(191.179588,0.00087576);(192.961552,0.0155614);(194.115008,0.00778418);(194.999954,0.00404484);(195.066035,0.0016584);(196.16948,0.03306018);(198.184878,0.0006708);(201.054271,0.0016816);(201.07297,0.00064971);(201.163727,0.00050646);(203.021055,0.00360069);(203.070443,0.00252035);(204.087592,0.0114802);(204.962117,0.03262094);(205.194797,0.00065897);(205.96285,0.00073647);(206.977581,0.00331952);(208.026798,0.00055323);(209.117001,0.00160547);(210.092216,0.01675387);(210.90282,0.00055443);(210.972145,0.0142754);(212.200972,0.00060171);(212.837638,0.00051514);(213.010531,0.00123106);(213.929159,0.01553301);(213.949253,0.01144035);(216.097226,0.00293821);(217.080995,0.00999572);(217.105228,0.00114809);(217.158675,0.00060039);(219.065438,0.00732836);(219.17416,0.15398211);(219.210687,0.00141451);(220.096631,0.00358145);(220.17759,0.02363144);(225.042085,0.00101677);(227.127554,0.0018511);(228.091004,0.00060966);(228.159462,0.00056049);(229.049472,0.00408493);(229.142514,0.00055197);(229.972822,0.00168188);(232.091588,0.00066375);(233.153786,0.01418774);(233.226899,0.00117105);(239.031721,0.00485996);(240.918449,0.00528055);(242.938268,0.00114829);(243.071965,0.01670363);(247.060148,0.00433746);(247.205341,0.00137956);(247.241841,0.00163798);(248.152815,0.00174396);(250.177595,0.00212108);(250.893293,0.00090446);(250.943164,0.00101405);(252.949931,0.00522311);(253.94894,0.0038784);(254.890548,0.00050463);(254.946053,0.00131939);(255.064854,0.0007129);(255.210951,0.00065435);(256.234143,0.0005573);(256.920825,0.00095362);(259.899,0.00052659);(270.280395,0.00057145);(271.153495,0.00206076);(272.158861,0.00073967);(274.973939,0.00187908);(276.327625,0.0005156);(276.908587,0.00115585);(276.970178,0.00752634);(277.830706,0.00116458);(278.07317,0.00066278);(278.966792,0.00073584);(279.91652,0.00126145);(280.886741,0.00112003);(281.078972,0.0020856);(281.246939,0.0015657);(281.911944,0.00299117);(282.08845,0.00396584);(283.092776,0.00056581);(283.262822,0.15159896);(284.15287,0.02314032);(284.266192,0.01667882);(285.155526,0.0021207);(290.947113,0.00554036);(292.143219,0.00060844);(292.985138,0.00061622);(294.876087,0.00638759);(294.980598,0.00319893);(295.143391,0.00114162);(295.263277,0.01514511);(295.928171,0.00414151);(295.959845,0.00147956);(295.98002,0.00087633);(296.26692,0.00059513);(296.29479,0.0150161);(296.874174,0.0006539);(296.926421,0.00242293);(297.278591,0.18668679);(298.080716,0.00130925);(298.168643,0.00754608);(298.28207,0.02407066);(298.999511,0.00056485);(300.141605,0.00246869);(300.884703,0.00143719);(300.968749,0.00051407);(301.14141,0.00212137);(302.144911,0.00553899);(302.163616,0.01374721);(303.304324,0.00676051);(304.308894,0.00056693);(304.886264,0.00134269);(306.087364,0.00070819);(306.919343,0.01158314);(309.27791,0.00053416);(311.294166,0.01271578);(312.292977,0.00057021);(313.10914,0.00070429);(313.198226,0.00114462);(313.291818,0.00128368);(316.179339,0.00069851);(318.920436,0.00322184);(319.921827,0.00113045);(320.103314,0.00050796);(320.858688,0.00081639);(320.981133,0.00170313);(321.109733,0.00058061);(321.315383,0.00511181);(322.12719,0.0026937);(324.325574,0.03743604);(324.930994,0.00068672);(325.329198,0.01604354);(326.96583,0.01178923);(327.214491,0.00050607);(332.848086,0.00227805);(335.166547,0.00277691);(335.990485,0.00054121);(336.838418,0.00139205);(337.182295,0.00539812);(337.204732,0.00307773);(338.341362,0.00572934);(338.991143,0.00069789);(339.156287,0.00237068);(344.976002,0.2582916);(345.976225,0.07199438);(346.97403,0.03318302);(349.850218,0.00391307);(352.393779,0.007789);(353.100773,0.00054716);(353.841715,0.00076117);(354.836162,0.00087941);(355.192308,0.00608804);(355.214701,0.00523778);(356.847997,0.08393037);(357.082592,0.00051487);(357.146175,0.16512252);(357.208174,0.00463231);(357.850677,0.00313817);(358.098925,0.0008004);(358.150104,0.0244426);(358.843061,0.00597644);(359.143896,0.00082883);(359.216167,0.0006504);(360.852765,0.00102464);(361.007963,0.00050779);(362.986532,0.00200202);(364.832507,0.001115);(365.318706,0.00123788);(366.40892,0.04602585);(367.41226,0.01124329);(367.858785,0.0018991);(369.22878,0.00052659);(371.239152,0.03190935);(374.857897,0.03788574);(375.218347,0.00169671);(375.861448,0.00060686);(376.176295,0.00050785);(376.853914,0.00074377);(377.001545,0.00064659);(378.005017,0.00055345);(378.408624,0.02655587);(379.412475,0.00597564);(380.389448,0.00178848);(381.837891,0.00138575);(382.346328,0.00596297);(383.241768,0.00055149);(383.274735,0.00053042);(385.177701,0.00055602);(385.257388,0.00052212);(388.834147,0.00580367);(391.147979,0.00057186);(392.151684,0.0006612);(394.298462,0.00261149);(395.305888,0.00053998);(396.419355,0.133116);(397.071621,0.00601586);(397.343872,0.00050279);(397.423156,0.03744217);(398.378039,0.00062546);(398.426005,0.00150915);(399.005009,0.00282304);(400.984265,0.00126077);(402.963621,0.02435779);(403.272649,0.00061935);(404.849629,0.00985872);(404.978702,0.00703193);(406.844147,0.07214063);(406.920634,0.0005272);(407.845664,0.01106024);(409.618023,0.00050403);(410.99202,0.00062975);(413.322899,0.04808854);(414.265198,0.00510073);(414.293381,0.01483317);(414.326634,0.10707248);(414.372514,0.01637836);(414.40786,0.02145691);(415.051085,0.01013267);(415.086568,0.00538706);(415.159017,0.00067942);(415.189169,0.01399808);(415.230966,0.02070724);(415.269836,0.01846539);(415.302314,0.30354452);(415.329584,0.01828284);(415.369667,0.01070725);(415.409929,0.00443447);(416.049776,0.00051754);(416.19172,0.00070275);(416.235765,0.00372764);(416.278161,0.0050275);(416.30614,0.06853662);(416.351977,0.00494824);(416.388083,0.02633805);(416.424217,0.04547468);(416.978788,0.02320088);(417.245917,0.12691513);(417.273629,0.00339829);(417.309491,0.01305306);(417.341895,0.00153182);(417.384292,0.03105838);(417.426343,0.00771115);(418.994114,0.04637517)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.079078,0.00102866);(50.210103,0.00071486);(50.420522,0.00080409);(50.606911,0.00071262);(51.557384,0.00075581);(51.696664,0.0008125);(52.128721,0.00089809);(52.849506,0.00073273);(53.002945,0.00602935);(53.039424,0.00087608);(53.830635,0.0009962);(54.188935,0.00089964);(55.018595,0.006264);(55.054976,0.10802568);(56.050229,0.01511138);(56.058341,0.00151306);(57.034229,0.02561251);(57.070612,1.0);(57.925739,0.00088767);(58.065883,0.01202272);(58.073959,0.03934758);(58.347428,0.00074878);(59.049875,0.01022812);(59.06109,0.01554119);(59.908119,0.00074969);(59.966671,0.00069859);(59.990956,0.36015572);(60.037071,0.0007749);(60.045104,0.24053765);(61.01135,0.04245228);(61.986758,0.00251699);(62.010333,0.00076398);(62.019181,0.03454857);(62.214843,0.00070141);(62.98242,0.07589265);(62.990534,0.00227712);(63.876071,0.00079938);(63.998415,0.04288382);(64.366832,0.00077837);(65.179045,0.00086712);(65.981218,0.00074425);(66.615993,0.00080956);(67.0549,0.12155752);(67.987781,0.00073501);(68.058278,0.0041159);(69.01071,0.00088536);(69.034167,0.00553514);(69.070516,0.15005884);(70.065751,0.01861301);(70.073872,0.00292251);(71.049783,0.01888401);(71.086141,0.12731529);(71.526088,0.00087262);(72.045117,0.00695866);(72.081402,0.00660677);(72.089408,0.00234703);(72.114708,0.00075705);(72.153553,0.00068476);(73.029021,0.02374747);(73.047412,0.05942455);(73.065326,0.00183032);(73.076473,0.00075833);(74.06071,0.00129311);(74.096993,0.00124133);(74.74811,0.00084634);(75.044676,0.00261729);(76.069288,0.00093832);(76.368631,0.00085098);(76.651034,0.00085385);(79.021764,0.49271979);(79.054781,0.03783321);(79.125724,0.00076654);(79.775534,0.00074269);(80.02509,0.00285845);(80.049994,0.00681411);(80.948387,0.17282058);(81.000889,0.00248112);(81.070402,0.15799431);(82.073759,0.00291801);(82.262855,0.00086785);(82.94542,0.05324568);(83.049679,0.0098101);(83.086026,0.12472951);(83.14214,0.00073424);(84.081335,0.01216542);(84.089429,0.00459013);(85.028897,0.00629735);(85.040153,0.04971213);(85.065328,0.0093747);(85.101704,0.06789749);(86.060613,0.00809258);(86.096867,0.00478718);(87.044562,0.03616455);(88.022086,0.00911462);(88.076203,0.01242938);(88.978635,0.00897489);(89.060175,0.09078986);(89.733034,0.00075502);(90.063394,0.00116498);(90.08361,0.00074066);(90.204371,0.00086822);(90.740572,0.00075371);(91.04376,0.00077381);(91.05475,0.04622492);(91.057772,0.45162162);(92.057508,0.01977682);(92.061082,0.00791135);(92.113708,0.00082853);(93.037054,0.01144265);(93.054647,0.00233798);(93.070299,0.06353783);(93.883183,0.00086699);(94.065533,0.00323464);(94.073811,0.00110712);(94.367784,0.0008903);(95.016154,0.00120464);(95.049607,0.00928732);(95.085917,0.1688844);(95.089249,0.00109283);(95.735426,0.00080346);(96.089209,0.00760807);(96.13846,0.00084423);(96.922186,0.02471342);(96.995435,0.00151523);(97.040039,0.00831374);(97.065171,0.0274272);(97.101561,0.0877211);(98.068716,0.00084473);(98.097028,0.00094451);(98.104918,0.00098703);(98.919234,0.00279075);(98.975651,0.00099858);(99.044543,0.00523344);(99.080702,0.00433529);(100.076095,0.02523134);(100.112437,0.00305836);(101.003486,0.02973487);(101.020895,0.00079417);(101.060047,0.00543745);(102.091631,0.00207374);(102.656225,0.00079678);(103.039249,0.00437265);(104.077494,0.00085517);(104.765598,0.00080739);(104.992617,0.01988914);(105.018866,0.00077164);(105.033784,0.00116576);(105.070116,0.01597735);(105.073503,0.00992715);(106.065488,0.00417258);(106.359102,0.00077945);(107.04946,0.00181228);(107.085824,0.06316694);(107.967092,0.00764049);(108.078453,0.00079511);(109.06492,0.01064551);(109.068611,0.00095764);(109.10144,0.08882406);(110.104709,0.00216786);(110.205679,0.00097097);(110.256095,0.00081447);(111.044231,0.00125332);(111.08066,0.01511591);(111.117069,0.0180402);(111.358552,0.00100269);(111.765907,0.00086127);(114.091662,0.00887161);(116.053013,0.65301529);(116.985989,0.00213608);(117.056432,0.02533165);(117.07001,0.01911692);(118.048849,0.01459622);(118.971832,0.00371084);(119.085689,0.5178205);(120.081024,0.00554178);(120.088973,0.03603292);(120.987267,0.00120716);(121.060581,0.00091589);(121.064892,0.07788922);(121.1013,0.03949066);(122.068298,0.00136251);(122.104902,0.00113377);(123.080583,0.00555745);(123.116953,0.02517939);(125.096187,0.01981069);(126.259452,0.0008874);(127.111858,0.00121795);(127.265923,0.00077243);(128.107079,0.00568243);(128.143504,0.00204464);(128.81057,0.00076534);(128.953619,0.00861797);(129.069939,0.00199026);(130.2974,0.00086917);(131.000418,0.0009988);(131.085527,0.0075948);(132.081209,0.00102611);(132.102018,0.00494985);(132.987235,0.00625469);(133.064945,0.00696631);(133.085975,0.00467285);(133.101176,0.01903637);(134.996676,0.00859812);(135.002767,0.07090918);(135.080494,0.010972);(135.116793,0.02231812);(136.731933,0.00073623);(137.011834,0.0038269);(137.09605,0.00438674);(137.13219,0.00303444);(138.100024,0.00084523);(138.127481,0.00854929);(138.570988,0.00078653);(139.1118,0.00396232);(140.959164,0.00078954);(141.128962,0.00082263);(142.938082,0.00082673);(143.085604,0.00198912);(145.064752,0.01182136);(145.101168,0.00894292);(145.988987,0.00094109);(147.080493,0.00212449);(147.091501,0.00226581);(147.116818,0.01343817);(148.075397,0.00090874);(148.971671,0.00256556);(149.011706,0.00092197);(149.023526,0.00110045);(149.132424,0.00893227);(150.950812,0.00091984);(151.075982,0.00093849);(151.97658,0.00117887);(152.150313,0.00087517);(152.989407,0.00158062);(154.122517,0.01062472);(155.021866,0.00181531);(156.138027,0.00607508);(156.984943,0.00126055);(157.101118,0.00089115);(159.080366,0.00096659);(159.116842,0.00798074);(159.33222,0.00095209);(160.854741,0.0008015);(161.132687,0.00401108);(161.478838,0.00081285);(162.136159,0.00098272);(162.941096,0.0019839);(163.111397,0.00210112);(163.122932,0.0089195);(164.920512,0.03963986);(165.091111,0.00421231);(167.055217,0.00441343);(167.117749,0.0021386);(168.138463,0.00087333);(172.115304,0.08434536);(173.059859,0.00123907);(173.132395,0.00151946);(174.006915,0.00109834);(174.713201,0.0009652);(174.989524,0.00110277);(175.075525,0.00102187);(175.111802,0.00097858);(178.984913,0.00229895);(180.575221,0.00079818);(180.894275,0.00119622);(184.380354,0.00100758);(184.584837,0.00080319);(184.979572,0.00585371);(185.059783,0.01114941);(185.949145,0.0010486);(189.005886,0.0046412);(189.055172,0.00221577);(191.126455,0.00079694);(192.961895,0.01083515);(194.115143,0.00230237);(194.99998,0.00276661);(196.132808,0.00088078);(196.169624,0.01600285);(201.00678,0.00174872);(201.043924,0.00095497);(201.05517,0.00102594);(203.020722,0.0019843);(203.143233,0.00458921);(204.962211,0.00475366);(206.977845,0.00526151);(210.091812,0.00207124);(210.972071,0.00988725);(213.932649,0.02784502);(213.935794,0.02906049);(216.4918,0.00090583);(217.082527,0.00084432);(219.067398,0.00092571);(219.174199,0.17992668);(219.210271,0.00102215);(220.177763,0.02670251);(222.899305,0.00139859);(224.99044,0.00089941);(228.890219,0.00112581);(229.049642,0.00107547);(229.248988,0.00097295);(233.153303,0.01091254);(234.220348,0.00086193);(236.264002,0.0007594);(236.917813,0.00119305);(238.913725,0.00391586);(239.032191,0.00357223);(240.909284,0.00608719);(240.918628,0.0024816);(243.113576,0.00096072);(246.169347,0.0009242);(250.183216,0.00100022);(252.471342,0.00091599);(252.865455,0.00135681);(252.908204,0.00088468);(252.949386,0.00776623);(253.400869,0.00086307);(253.916703,0.00101246);(253.949173,0.00549492);(254.241936,0.00094065);(254.946137,0.0028804);(257.958842,0.00095767);(260.858732,0.00073628);(261.762779,0.00096489);(263.002814,0.00083839);(264.21339,0.00081029);(264.908787,0.00128314);(268.991778,0.0008853);(274.974794,0.00111015);(276.909026,0.00093644);(276.950161,0.00079398);(276.969903,0.0042766);(282.089333,0.00113472);(282.918249,0.00108585);(283.262656,0.10305562);(284.152957,0.03030083);(284.266436,0.00605242);(286.043462,0.00113039);(290.947432,0.0048841);(292.925205,0.00108998);(295.263693,0.00610763);(296.294674,0.0028872);(297.27865,0.12637442);(298.168566,0.00557034);(298.282151,0.00950142);(301.530948,0.00081569);(302.163703,0.01414054);(306.919126,0.00116223);(311.293887,0.00347287);(312.839506,0.0010099);(313.19825,0.0058336);(315.845821,0.00266995);(323.831021,0.00094203);(324.32589,0.01787467);(325.328722,0.00853084);(326.702919,0.00096019);(326.96627,0.00296255);(332.848158,0.01447129);(333.855522,0.00372755);(334.310202,0.00093169);(335.165926,0.001179);(340.089306,0.00092205);(340.640439,0.00095009);(344.975935,0.2040025);(345.975986,0.0542839);(346.953486,0.00113239);(346.974446,0.02314534);(352.392886,0.00100737);(352.944848,0.0008794);(355.215545,0.00249316);(356.847921,0.03082185);(357.146364,0.02465353);(364.833706,0.00258362);(365.845763,0.00608964);(366.408521,0.04632562);(367.41258,0.00722187);(368.386308,0.00088819);(371.23978,0.03911749);(374.858476,0.01050013);(375.45505,0.00089539);(377.542724,0.00077709);(378.408737,0.00227607);(383.854206,0.00684586);(388.834071,0.00110032);(388.946838,0.00306078);(394.300525,0.00094677);(396.419554,0.01557959);(397.071998,0.00087693);(397.422499,0.00294752);(402.963402,0.06646759);(404.848184,0.00097203);(404.978831,0.01304519);(406.84484,0.02445906);(407.84527,0.00100678);(413.322923,0.00244702);(414.328135,0.01364825);(414.374159,0.00243855);(414.408544,0.02117649);(415.230786,0.00225188);(415.301913,0.09961888);(415.370906,0.00116943);(415.41027,0.0037459);(416.30633,0.01649253);(416.355484,0.00128724);(416.388836,0.02201019);(416.424765,0.04469888);(416.978056,0.00163872);(417.035507,0.00080708);(417.245932,0.03480879);(417.278959,0.00102897);(417.386398,0.00449041);(417.426094,0.00520602);(418.994811,0.00672676)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.047968,0.0007833);(50.544751,0.00068909);(50.577769,0.00081056);(50.961755,0.00071892);(51.341952,0.00078196);(51.78216,0.00071297);(51.940679,0.00104658);(52.687939,0.00068102);(53.002954,0.02787881);(53.039341,0.01223768);(53.200044,0.00072866);(53.273022,0.0007344);(53.470461,0.00078375);(54.230823,0.00087762);(54.331503,0.0008196);(54.928198,0.00082803);(55.018589,0.01966742);(55.054973,0.23771596);(55.935111,0.00459498);(56.050204,0.03287858);(56.058345,0.00658084);(56.587321,0.00067409);(56.965506,0.03755363);(57.034214,0.02008325);(57.07061,1.0);(57.935619,0.00083443);(58.06589,0.01400548);(58.073952,0.0388001);(59.049879,0.01299146);(59.061068,0.0144883);(59.941248,0.00065637);(59.990953,0.32259642);(60.045105,0.17160379);(60.994473,0.00070237);(61.011348,0.07942475);(61.040237,0.00068455);(61.048501,0.0009018);(61.79243,0.00072876);(61.986725,0.00663607);(62.019182,0.0460851);(62.309236,0.00081931);(62.552145,0.00107484);(62.982404,0.0898208);(62.990592,0.00897773);(63.641391,0.00068778);(63.998424,0.10423646);(64.014894,0.00091864);(65.039305,0.01164621);(67.054899,0.18649086);(68.04087,0.00089239);(68.050081,0.00092769);(68.058294,0.00573911);(68.264335,0.0008138);(68.767947,0.00076004);(69.034188,0.00560696);(69.070506,0.15828209);(69.550782,0.00078003);(69.612555,0.00083739);(70.065775,0.03630001);(70.073896,0.00184997);(70.848404,0.0008107);(71.049816,0.01096493);(71.061197,0.00080008);(71.069139,0.00102373);(71.086122,0.08433617);(71.102613,0.00072102);(72.039175,0.00075188);(72.045033,0.01458633);(72.081401,0.00622944);(72.937765,0.00205693);(73.02902,0.02661016);(73.04739,0.0458042);(73.065376,0.00091202);(75.044725,0.00099195);(78.376033,0.00075169);(79.02175,0.46459225);(79.054768,0.09512255);(79.39095,0.00073251);(79.496346,0.00078766);(80.021127,0.00173529);(80.025091,0.00236882);(80.05005,0.02656728);(80.057962,0.00209934);(80.607469,0.0008026);(80.948386,0.11665918);(81.000771,0.0188075);(81.034027,0.00128455);(81.070391,0.15575032);(82.065591,0.00315532);(82.073737,0.00380886);(82.489498,0.00080365);(82.945404,0.03838538);(83.049666,0.0179592);(83.086022,0.07283978);(83.471648,0.00077749);(84.081306,0.02038961);(84.08928,0.00129571);(85.028937,0.00530949);(85.040116,0.03921252);(85.065304,0.00364283);(85.101713,0.02142308);(86.06057,0.00507945);(86.096979,0.00222019);(87.044585,0.01675014);(87.982307,0.00090145);(88.022039,0.01853688);(88.076197,0.00243848);(88.968998,0.00099271);(88.978582,0.00740259);(89.0602,0.01711947);(89.223671,0.00086165);(90.689344,0.00085554);(90.94804,0.00505317);(91.054663,0.15507317);(91.057808,0.42709392);(92.057667,0.02463215);(92.061081,0.00423022);(93.037079,0.01444199);(93.054572,0.00335324);(93.057617,0.00115668);(93.070312,0.09543883);(93.892594,0.00077025);(94.065519,0.00761119);(94.07375,0.00383267);(95.01632,0.00947768);(95.049565,0.03955084);(95.085922,0.11582215);(95.985585,0.00082041);(96.052663,0.0008516);(96.081126,0.00434667);(96.089462,0.00160942);(96.922141,0.01105418);(96.995589,0.00546024);(97.040052,0.01235259);(97.065151,0.01654526);(97.10159,0.02259836);(97.138861,0.00081193);(97.595862,0.00080806);(98.096757,0.00257053);(99.044355,0.00382338);(100.076016,0.00476849);(101.0599,0.00131314);(101.813246,0.00090023);(101.891545,0.00084269);(102.091574,0.00137596);(102.645789,0.00084745);(103.054579,0.01921349);(104.062356,0.00688144);(104.992662,0.0038397);(105.045018,0.00298052);(105.070152,0.05229318);(105.07351,0.0103805);(106.065381,0.01825313);(106.072932,0.00107063);(106.496322,0.00087459);(107.049541,0.0071234);(107.073111,0.00380244);(107.085801,0.05907767);(108.089159,0.00100235);(108.958548,0.00344057);(109.064887,0.014302);(109.068659,0.00203967);(109.101412,0.03863779);(111.080804,0.00361428);(113.844144,0.00081742);(114.091829,0.00130992);(115.054464,0.01814859);(116.053015,0.06870991);(116.371356,0.00084184);(116.513161,0.00085928);(116.985802,0.00801126);(117.070046,0.05930196);(118.140668,0.0009341);(119.001697,0.00107243);(119.085685,0.37202494);(120.081002,0.02039408);(120.088991,0.03010369);(120.397334,0.00089005);(121.064815,0.0476335);(121.088735,0.00566004);(121.10129,0.02321182);(121.311529,0.00084282);(123.080648,0.00467395);(123.116786,0.00145156);(125.096364,0.00110448);(125.315967,0.00084997);(126.006202,0.00087434);(128.061904,0.00116244);(128.953504,0.00414187);(129.069982,0.00485863);(130.065046,0.00094306);(131.000295,0.00247337);(131.068377,0.0008042);(131.085532,0.01551334);(132.080547,0.00116387);(133.06466,0.00221213);(133.101217,0.01547296);(134.096428,0.00904797);(134.225123,0.00109914);(134.996287,0.01988241);(135.002628,0.00876017);(135.044186,0.00183052);(135.08024,0.00226985);(135.091022,0.00088025);(135.104669,0.00091604);(135.11681,0.0010412);(137.011678,0.00273647);(137.425626,0.00087037);(138.127526,0.00681797);(140.068497,0.00074012);(140.959158,0.00077656);(140.984601,0.00220669);(143.000352,0.00202256);(143.048544,0.00102334);(143.085393,0.00163055);(143.485301,0.00086027);(144.030527,0.00097317);(144.080595,0.00084971);(144.947853,0.0008249);(144.959251,0.00092922);(145.064901,0.01499771);(145.101091,0.00932995);(145.133968,0.00091318);(146.096187,0.00128988);(146.974227,0.00318192);(146.996247,0.00232031);(147.080381,0.00110781);(147.091429,0.00112556);(147.10513,0.00080662);(147.116472,0.00332978);(148.111973,0.00303984);(148.972027,0.00589864);(149.011472,0.00248542);(150.968904,0.0029464);(153.006888,0.00238505);(155.022332,0.00465754);(155.059475,0.00087232);(155.327388,0.00087956);(157.015945,0.00229381);(157.101174,0.00383093);(159.116893,0.00502575);(159.551455,0.00081444);(160.112297,0.00084284);(161.010499,0.00078658);(161.096364,0.00176105);(161.132756,0.00225573);(162.127816,0.00118524);(162.94095,0.0039246);(163.535168,0.00089891);(164.920443,0.01527231);(166.349922,0.000796);(166.982294,0.0011434);(167.055596,0.00291341);(168.726435,0.00078855);(170.095957,0.00081729);(174.006414,0.0011794);(174.127769,0.00094109);(174.972662,0.0022556);(178.893014,0.00102477);(179.693308,0.00098938);(180.888502,0.00214086);(185.05959,0.00273689);(185.949222,0.00107557);(188.059249,0.00103975);(188.924747,0.00154623);(188.974659,0.00130386);(192.175181,0.00093394);(197.445943,0.00078266);(203.142978,0.06149679);(204.14655,0.00628406);(204.174538,0.00237837);(208.884108,0.00084131);(209.158247,0.00078892);(209.983756,0.000894);(210.959459,0.00211247);(216.173937,0.00100564);(217.05016,0.00072838);(217.72435,0.00082688);(217.898856,0.00080938);(219.174194,0.06931567);(220.103905,0.00270648);(220.107606,0.00245984);(220.115726,0.00402182);(220.126863,0.00398332);(220.150569,0.00091006);(220.177709,0.00703831);(220.903511,0.00411347);(222.898874,0.01082388);(224.048224,0.00089216);(224.314777,0.00076973);(225.098411,0.00084905);(225.886123,0.01050844);(228.390343,0.00086714);(232.207073,0.00099104);(233.403895,0.00091838);(234.89923,0.00442679);(236.918571,0.01314514);(237.020676,0.00091072);(238.91387,0.03073458);(239.069815,0.00102112);(239.924754,0.00075716);(240.908909,0.04621454);(243.863533,0.00087058);(244.168486,0.00088476);(246.029431,0.00087097);(246.043819,0.00085855);(248.72369,0.00081595);(250.894149,0.00534396);(252.949631,0.01647249);(252.96915,0.00111969);(253.948933,0.01085407);(254.946346,0.00424829);(257.750332,0.00083539);(259.512224,0.00088288);(266.142604,0.00130056);(266.754713,0.00091267);(267.958084,0.00104867);(280.813337,0.00386498);(282.137735,0.00347001);(284.152802,0.00445933);(287.498421,0.00091172);(290.947198,0.001016);(292.926327,0.00391527);(299.764651,0.00078916);(299.817854,0.0008505);(302.817525,0.00121617);(307.841338,0.00106203);(308.84802,0.01273839);(312.709325,0.00083264);(315.845953,0.00410077);(318.061118,0.0008907);(320.871085,0.00103553);(322.823777,0.00413383);(323.833939,0.01365571);(326.965508,0.00396273);(330.960541,0.00509105);(332.939783,0.00232296);(333.855475,0.0044475);(340.837195,0.00705254);(341.842917,0.00100722);(344.975734,0.1963414);(345.975769,0.04165723);(346.974354,0.02244619);(360.514448,0.00086397);(361.002039,0.00092233);(362.986891,0.00094821);(365.526607,0.00096351);(365.84438,0.00595081);(383.85369,0.00768911);(388.947928,0.01484612);(392.895851,0.00090501);(397.611909,0.00076114);(402.96355,0.03827035);(416.423335,0.00513797);(417.426745,0.00092402)

Food Sources

	Name	Group
	Roasted coffee	Coffee and coffee products	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Sitosterol