PhytoHub: Showing entry for 3-Methoxysinensetin

3-Methoxysinensetin

Identification

PhytoHub ID

PHUB000649

Name

3-Methoxysinensetin

Systematic Name

Not Available

Synonyms

3,5,6,7,3',4'-Hexamethoxyflavone

CAS Number

Not Available

Average Mass

402.399

Monoisotopic Mass

402.131467668

Chemical Formula

C₂₁H₂₂O₈

IUPAC Name

2-(3,4-dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-chromen-4-one

InChI Key

CHXSDKWBSFDZEU-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(29-18)10-15(25-3)19(26-4)20(16)27-5/h7-10H,1-6H3

SMILES

COC1=C(OC)C=C(C=C1)C1=C(OC)C(=O)C2=C(OC)C(OC)=C(OC)C=C2O1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 9.91e-03 g/l
LogS (ALOGPS): -4.61
LogP (ALOGPS): 2.51
Hydrogen Acceptors: 8
Hydrogen Donors: 0
Rotatable Bond Count: 7
Polar Surface Area: 81.68000000000002
Refractivity: 106.0058
Polarizability: 41.759188390046006
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.142935612696577
pKa (strongest acidic): Not Available
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: Yes

External Links

ChEBI: 93682
PubChem: 386331
KNApSAcK: C00004713
Phenol-Explorer: 393
PeakForestCompound: 000506

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavones

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: O-methylated flavonoids
Direct Parent Name: 7-O-methylated flavonoids
Alternative Parent Names: ["3'-O-methylated flavonoids", "3-O-methylated flavonoids", "3-methoxychromones", "4'-O-methylated flavonoids", "5-O-methylated flavonoids", "6-O-methylated flavonoids", "Alkyl aryl ethers", "Anisoles", "Dimethoxybenzenes", "Flavones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives", "Vinylogous esters"]
External Descriptor Annotations: ["Flavones and Flavonols"]
Substituent Names: ["1-benzopyran", "3-methoxychromone", "3-methoxyflavonoid-skeleton", "3p-methoxyflavonoid-skeleton", "4p-methoxyflavonoid-skeleton", "5-methoxyflavonoid-skeleton", "6-methoxyflavonoid-skeleton", "7-methoxyflavonoid-skeleton", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Dimethoxybenzene", "Ether", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Methoxybenzene", "Monocyclic benzene moiety", "O-dimethoxybenzene", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone", "Vinylogous ester"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(165.0546151,0.9871047185);(166.0624397,0.8367671541);(167.0702643,0.778102207);(179.03388,2.259764481);(192.0780889,1.207003263);(193.0859135,0.7640603145);(194.0573538,3.513989707);(195.0651784,1.572018512);(210.0522679,1.181139457);(211.0600925,1.572333793);(238.0835663,1.139893981);(314.0784804,0.8803041814);(316.0941296,2.248188844);(317.1019542,1.252826926);(318.1097788,1.110366172);(332.125428,0.9595997416);(346.1046929,0.827776318);(358.1046929,1.332317877);(359.1125175,2.144249541);(370.1046929,3.161284019);(371.1125175,3.695837432);(372.1159191,0.8476517179);(372.1203421,5.35845472);(373.1237456,1.229782011);(373.1281667,2.02553016);(374.1359913,4.455785079);(375.1393985,1.02395346);(386.099607,2.917189255);(387.1074316,7.698934469);(388.1108345,1.768660732);(402.1309054,2.066089219)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(165.0546151,0.9871047185);(166.0624397,0.8367671541);(167.0702643,0.778102207);(179.03388,2.259764481);(192.0780889,1.207003263);(193.0859135,0.7640603145);(194.0573538,3.513989707);(195.0651784,1.572018512);(210.0522679,1.181139457);(211.0600925,1.572333793);(238.0835663,1.139893981);(314.0784804,0.8803041814);(316.0941296,2.248188844);(317.1019542,1.252826926);(318.1097788,1.110366172);(332.125428,0.9595997416);(346.1046929,0.827776318);(358.1046929,1.332317877);(359.1125175,2.144249541);(370.1046929,3.161284019);(371.1125175,3.695837432);(372.1159191,0.8476517179);(372.1203421,5.35845472);(373.1237456,1.229782011);(373.1281667,2.02553016);(374.1359913,4.455785079);(375.1393985,1.02395346);(386.099607,2.917189255);(387.1074316,7.698934469);(388.1108345,1.768660732);(402.1309054,2.066089219)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(165.0546151,0.9871047185);(166.0624397,0.8367671541);(167.0702643,0.778102207);(179.03388,2.259764481);(192.0780889,1.207003263);(193.0859135,0.7640603145);(194.0573538,3.513989707);(195.0651784,1.572018512);(210.0522679,1.181139457);(211.0600925,1.572333793);(238.0835663,1.139893981);(314.0784804,0.8803041814);(316.0941296,2.248188844);(317.1019542,1.252826926);(318.1097788,1.110366172);(332.125428,0.9595997416);(346.1046929,0.827776318);(358.1046929,1.332317877);(359.1125175,2.144249541);(370.1046929,3.161284019);(371.1125175,3.695837432);(372.1159191,0.8476517179);(372.1203421,5.35845472);(373.1237456,1.229782011);(373.1281667,2.02553016);(374.1359913,4.455785079);(375.1393985,1.02395346);(386.099607,2.917189255);(387.1074316,7.698934469);(388.1108345,1.768660732);(402.1309054,2.066089219)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(114.833334,0.045539);(119.778911,0.036282);(123.027542,0.049219);(124.105515,0.113707);(125.166667,0.103111);(125.207295,0.103111);(127.027458,0.117053);(127.416667,0.060575);(133.540649,0.054566);(134.000001,0.064879);(134.333334,0.053417);(135.083334,0.032962);(136.166668,0.043343);(138.056347,0.083723);(141.000001,0.038795);(142.000001,0.070742);(142.916668,0.070354);(144.000001,0.053421);(145.083335,0.167967);(146.941199,0.053818);(149.939666,0.06012);(150.333335,0.110111);(150.833335,0.094231);(150.93211,0.137627);(152.083335,0.034564);(154.916668,0.047853);(155.270401,0.072714);(157.111176,0.084874);(157.833335,0.064461);(160.959421,0.193605);(163.066776,0.058056);(165.123166,0.071129);(165.416669,0.032338);(165.868831,0.09469);(167.166669,0.137781);(169.934823,0.050187);(170.279548,0.039466);(171.000002,0.047451);(171.8679,0.053552);(174.000002,0.043381);(177.250002,0.178209);(177.666669,0.038721);(178.250002,0.042973);(179.083336,0.055314);(182.083336,0.039239);(183.250002,0.110716);(184.192722,0.062683);(184.880369,0.041186);(186.875297,0.094903);(187.083336,0.127546);(188.848903,0.044428);(191.166669,0.052735);(193.044822,0.057807);(193.250003,0.090759);(193.69273,0.078414);(194.833336,0.04459);(195.17493,0.257587);(197.192159,0.04761);(197.91667,0.056921);(199.083336,0.037077);(200.296277,0.037077);(201.043709,0.042915);(202.16667,0.071537);(202.86262,0.031968);(204.250003,0.045582);(205.102341,0.345253);(206.083336,0.042011);(206.250003,0.057733);(206.77978,0.077728);(207.16667,0.089768);(208.91667,0.04412);(209.16667,0.04915);(210.628633,0.0303);(211.199903,0.108005);(212.16667,0.052902);(213.03662,0.04628);(213.750003,0.038269);(214.778278,0.05398);(215.123138,0.105495);(216.000003,0.162081);(216.250003,0.063784);(216.522117,0.260242);(217.083337,0.123246);(219.250004,0.122513);(219.500004,0.102688);(220.210889,0.050849);(221.102762,0.18184);(224.956306,0.063693);(226.16667,0.138327);(226.91667,0.116183);(227.333337,0.099655);(228.217352,0.172563);(229.176903,0.123768);(230.044848,0.122789);(231.250004,0.061231);(232.166671,0.050003);(233.166671,0.05899);(233.416671,0.066809);(235.126496,0.057227);(237.2089,0.085012);(238.207739,0.114302);(238.500004,0.042934);(238.916671,0.070478);(239.04904,0.097099);(240.020902,0.046425);(241.083338,0.063668);(241.333338,0.049528);(241.833338,0.056448);(242.083338,0.153327);(242.333338,0.038039);(242.583338,0.050522);(242.916671,0.06772);(243.366122,0.225504);(243.777639,0.184218);(244.166671,0.077776);(245.333338,0.16831);(246.250004,0.063315);(247.083338,0.048723);(248.166671,0.087924);(249.270021,0.135419);(250.916671,0.067647);(251.083338,0.067331);(251.09038,0.067331);(251.416671,0.032231);(251.916671,0.157359);(253.025578,0.128446);(253.250005,0.07271);(254.250005,0.092395);(254.916671,0.209255);(255.280398,0.498008);(255.929221,0.120515);(256.28829,0.2135);(256.916671,0.105823);(257.333338,0.296418);(258.333338,0.110107);(258.583338,0.041471);(259.083338,0.06515);(259.333338,0.129096);(259.961823,0.070309);(261.000005,0.425777);(261.333338,0.123487);(262.250005,0.050001);(265.000005,0.123792);(265.250005,0.134525);(266.175159,0.114778);(266.870514,0.130134);(267.083338,0.072828);(267.333338,0.074015);(267.833338,0.076119);(268.214135,0.265568);(269.250005,0.19136);(269.916672,0.072385);(270.277659,0.301883);(270.666672,0.058051);(271.083338,0.178226);(271.416672,0.204417);(272.126392,0.261633);(272.333338,0.097581);(272.666672,0.049135);(272.972817,0.254433);(273.166672,0.170262);(274.000005,0.054689);(274.128778,0.061192);(275.000005,0.116024);(275.11284,0.162551);(275.942788,0.089763);(276.250005,0.154768);(277.166672,0.054305);(277.916672,0.039989);(278.184628,0.072867);(279.750005,0.056832);(280.22555,0.126964);(280.790197,0.104152);(281.162819,0.513864);(282.250005,0.072584);(283.224708,0.388202);(284.083339,0.042317);(284.333339,0.208111);(285.251645,0.290267);(286.250006,0.14713);(286.500006,0.268418);(286.833339,0.143761);(287.083339,0.193762);(287.416672,0.208394);(287.750006,0.09762);(287.750006,0.09762);(290.750006,0.049889);(291.099642,0.080516);(292.250006,0.086221);(293.124249,0.056749);(294.166672,0.050663);(294.833339,0.185832);(295.083339,0.087983);(295.250006,0.080201);(296.000006,0.171774);(296.333339,0.104446);(296.583339,0.071402);(297.091542,0.15842);(298.083339,0.05902);(298.250006,0.064855);(298.916673,0.146357);(299.166673,0.195857);(300.211054,0.179725);(300.666673,0.040993);(301.166673,0.172413);(302.000006,0.074828);(302.359892,0.050792);(303.000006,0.059593);(303.250006,0.094069);(305.000006,0.038829);(306.166673,0.048558);(309.110545,0.129216);(309.416673,0.132392);(309.58334,0.142315);(310.203991,0.109885);(311.08334,0.16685);(311.163654,0.16685);(312.12433,0.196781);(312.416673,0.128511);(313.000006,0.095931);(313.250006,0.356762);(314.08334,0.091399);(315.000006,0.159628);(315.33334,0.080949);(315.666673,0.058703);(316.250006,0.08941);(316.666673,0.033692);(317.250006,0.053887);(318.166673,0.069494);(319.08334,0.144553);(319.144797,0.144553);(320.193241,0.128981);(321.166673,0.172246);(322.036587,0.050991);(323.08334,0.047863);(323.416673,0.148453);(323.882524,0.084567);(324.166673,0.646047);(324.416673,0.356673);(324.83334,0.042682);(325.357579,0.203432);(325.916673,0.049655);(326.329525,0.296587);(327.16237,0.66859);(327.500007,0.261995);(327.83334,0.170938);(328.166673,0.305279);(328.58334,0.196806);(329.146749,0.908635);(329.500007,0.267501);(330.189786,0.259465);(330.798685,0.072085);(331.000007,0.041214);(331.416674,0.12659);(331.666674,0.086872);(331.83334,0.118188);(332.166674,0.104065);(336.250007,0.163665);(337.000007,0.267005);(337.250007,0.392707);(337.58334,0.21686);(338.235459,0.432649);(338.666674,0.130168);(339.120252,0.417342);(339.500007,0.328569);(339.750007,0.068326);(340.13333,0.657525);(340.666674,0.080221);(341.083341,0.511244);(342.218731,0.173401);(343.166674,0.484907);(343.583341,0.06205);(344.333341,0.50473);(344.666674,0.077166);(344.833341,0.097479);(345.083341,0.109701);(345.250007,0.122415);(346.000007,0.140681);(346.250007,0.196084);(346.767519,0.182524);(347.106109,0.162087);(347.500007,0.064648);(348.074567,0.296592);(349.166674,0.178772);(349.916674,0.0931);(350.416674,0.107355);(351.21225,0.061448);(351.583341,0.041925);(351.833341,0.074514);(352.083341,0.09128);(352.500008,0.205297);(353.000008,0.129645);(353.250008,0.173265);(353.583341,0.175108);(353.833341,0.041377);(354.306242,0.310464);(354.666674,0.167973);(355.000008,0.097258);(355.166674,0.233638);(355.370045,0.80208);(356.248719,1.104319);(357.214034,1.700801);(357.916674,0.059223);(358.166674,0.150359);(358.583341,0.056082);(359.026644,0.183163);(359.477424,0.188314);(360.083341,0.24545);(360.666674,0.060318);(360.743303,0.060318);(361.345578,0.072307);(362.333341,0.050843);(363.000008,0.155205);(363.250008,0.065526);(364.256884,0.200114);(364.583341,0.150871);(364.916675,0.169125);(365.166675,0.363977);(365.416675,0.369766);(367.250008,0.056812);(368.156543,0.556029);(368.500008,0.084503);(368.666675,0.111114);(369.134382,0.497279);(369.583341,0.159999);(370.083341,0.175932);(370.333341,0.313318);(370.693104,0.201717);(371.244176,0.649059);(371.750008,0.27847);(372.197258,0.540055);(373.104053,1.553745);(373.833341,0.059249);(374.166675,0.29918);(374.583342,0.046923);(375.709723,0.04641);(377.250008,0.061252);(377.666675,0.12717);(377.916675,0.123241);(378.198728,0.360272);(378.833342,0.184667);(378.833342,0.184667);(379.271106,0.424103);(379.666675,0.032348);(380.000008,0.083849);(380.166675,0.079516);(380.945125,0.164285);(381.416675,0.066029);(382.261632,0.631915);(383.262383,1.360331);(384.126739,0.453364);(384.666675,0.180883);(385.096338,0.65472);(385.416675,0.115926);(386.124708,3.005004);(386.500009,0.305812);(386.750009,0.134482);(389.750009,0.0549);(390.083342,0.503559);(391.280442,0.175476);(391.949326,0.147639);(411.435554,0.059533)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(324.285068,0.940416);(327.271426,0.945134);(342.288096,9.15333);(343.283356,1.410919);(355.291301,5.075271);(356.27901,0.57737);(357.286431,0.729502);(359.324961,1.242672);(370.299776,1.283624);(372.333341,0.574002);(373.272643,58.685986);(374.253457,6.621649);(387.333342,0.591315);(388.25332,100.0);(389.195129,12.618862)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(313.498303,0.517721);(324.508402,1.919224);(325.500007,0.8975);(326.416673,0.597525);(327.516416,2.274457);(341.416674,1.195232);(342.536694,21.726664);(355.507503,12.761656);(356.583341,1.557998);(357.333341,2.090763);(359.532431,3.010841);(369.333341,1.009655);(370.543821,3.159065);(373.386056,97.37517);(374.416675,17.749225);(388.234152,100.0);(389.083342,20.69536)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(373.09,6.42);(388.1137,3.79);(403.1368,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(127.0389,3.77);(137.0264,1.38);(162.0658,1.39);(163.0737,5.92);(165.0469,7.51);(168.0049,2.25);(169.0123,1.75);(183.0283,19.73);(193.0121,2.99);(211.023,18.88);(231.0653,1.56);(244.0718,2.47);(257.0791,1.26);(258.0524,5.17);(259.0596,7.31);(273.0738,1.1);(274.0824,1.48);(284.0677,2.08);(285.0727,1.02);(286.083,1.04);(299.0887,4.38);(301.07,18.1);(311.0571,1.26);(312.0633,5.53);(313.0691,8.67);(315.0506,7.62);(325.0453,1.38);(327.0857,17.74);(329.0671,8.98);(330.0731,20.03);(339.0514,1.39);(343.0561,3.81);(344.0747,1.28);(345.0959,8.8);(353.0633,1.19);(355.0808,6.37);(357.0623,5.11);(358.0676,16.62);(373.0914,100.0);(387.1058,1.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(327.086,3.12);(342.1092,2.67);(355.0805,5.43);(358.0693,1.23);(359.1094,1.18);(373.0913,74.52);(388.1146,25.53);(403.1377,100.0)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(57.033284,0.00020685);(59.012476,0.71813397);(60.015802,0.01576943);(61.016679,0.00123618);(61.986993,0.03914348);(63.961074,0.0086172);(69.00812,0.00040227);(69.033122,0.00022243);(71.012456,0.00161642);(72.991738,0.02319266);(73.028235,0.00044966);(73.885125,0.00019155);(74.952511,0.00608928);(75.007451,0.00087707);(78.957644,0.00054952);(78.982213,0.00036278);(78.984572,0.03504405);(79.956005,0.01514417);(80.963855,0.01264355);(80.98013,0.00018561);(83.048971,0.00042926);(85.028058,0.0002207);(87.007685,0.00021478);(87.923966,0.01931874);(88.931885,0.00094572);(89.02314,0.00036338);(89.041485,0.00176598);(89.924343,0.00253296);(90.932177,0.00435249);(90.947475,0.00046771);(91.919712,0.00017335);(91.975082,0.00012963);(92.927655,0.00048108);(93.033457,0.00014193);(94.979509,0.15948347);(96.958717,0.00331035);(96.975298,0.00552646);(97.929954,0.00171714);(99.007429,0.00052212);(99.924496,0.09097599);(100.924606,0.0102526);(100.932273,0.01685491);(101.923386,0.00471784);(101.932415,0.00021621);(102.931573,0.00300755);(102.94747,0.00703827);(103.918933,0.08721929);(103.955215,0.00027005);(104.926756,0.05810282);(105.926897,0.00012616);(105.934618,0.00282902);(106.92701,0.00122361);(106.942391,0.00501769);(109.028199,0.00026769);(112.953293,0.00012376);(113.924865,0.0010314);(114.932792,0.00222039);(114.947935,0.02531346);(115.03764,0.00014073);(115.919426,0.1112076);(115.947944,0.00088912);(116.919735,0.01231141);(116.927239,0.0931021);(116.963153,0.01411871);(117.917765,0.00104568);(117.927401,0.00987007);(118.942421,0.00023486);(121.028125,0.00022776);(121.91482,0.0001231);(123.945165,0.01811806);(125.023241,0.00013425);(125.927678,0.00042731);(126.928757,0.00217545);(127.002442,0.00014694);(128.963485,0.00013898);(129.934878,0.00337101);(130.942442,0.03873047);(130.978889,0.00197608);(132.923128,0.00021444);(132.95816,0.01101342);(140.948536,0.00126717);(141.935136,0.00625179);(141.958527,0.00026175);(142.923681,0.0008747);(142.942982,0.08916965);(142.962872,0.01444534);(143.931994,0.00071734);(143.943194,0.00912818);(143.950819,0.00197027);(144.942291,0.01199058);(144.95815,0.24863201);(145.960658,0.0033873);(145.96643,0.00597541);(146.882698,0.00102559);(146.937426,0.20199253);(146.973825,0.00802515);(147.938584,0.00176183);(147.94572,0.00241459);(148.933087,0.00448713);(148.941094,0.00023989);(148.953409,0.00149202);(149.008508,0.00132455);(149.941789,0.00077159);(149.960987,0.00012913);(150.832768,0.00012351);(151.038547,0.00012762);(152.894013,0.00206033);(153.018293,0.0002172);(154.894212,0.00014169);(154.964166,0.0004147);(155.937816,0.00047103);(156.958701,0.04761781);(157.930144,0.01013839);(157.952802,0.0004918);(157.959217,0.00230943);(158.938077,0.04262692);(158.95515,0.00115705);(158.97416,0.0109819);(159.929548,0.00042018);(159.938757,0.00291747);(159.945822,0.01785328);(160.946483,0.00025043);(160.953298,0.01109532);(161.86988,0.00811977);(161.924654,0.02009161);(161.961445,0.00168895);(162.877728,0.00219573);(162.915105,0.00020299);(163.940567,0.00075903);(164.930278,0.00032072);(165.018247,0.00037719);(165.956107,0.01905903);(166.909708,0.00513505);(167.916941,0.00018788);(168.889059,0.00443312);(169.0134,0.0005091);(170.93754,0.00033935);(171.932808,0.00257079);(171.945962,0.00023653);(171.969307,0.00095556);(172.861195,0.00012805);(172.938999,0.00535176);(172.953516,0.00938515);(172.97343,0.0013953);(173.94843,0.00022807);(173.95436,0.00020835);(173.961628,0.01058779);(173.971698,0.00070987);(174.877781,0.00037839);(174.933104,0.23135001);(174.9506,0.00054497);(174.96902,0.08145925);(174.991579,0.01234168);(175.038706,0.00024848);(175.849333,0.00944291);(175.885588,0.00137487);(175.932824,0.02628932);(175.971597,0.00107594);(176.857181,0.0026464);(176.877483,0.00043198);(176.893282,0.00262439);(176.931096,0.00314358);(176.938541,0.00024598);(176.948024,0.00032759);(177.864883,0.01080025);(178.857229,0.0001369);(178.8727,0.01958134);(178.909916,0.00036244);(178.927637,0.00020154);(179.881783,0.00243906);(180.925404,0.00024451);(182.959408,0.0075911);(183.011058,0.00070454);(183.029095,0.00413927);(183.855468,0.00014486);(183.876489,0.00028289);(183.912338,0.00040411);(184.863471,0.00020761);(184.953927,0.16668429);(185.891923,0.00201056);(185.953822,0.01780539);(185.962483,0.00083521);(186.878231,0.00506686);(186.88855,0.00012186);(186.95294,0.06577328);(186.968778,0.01485322);(186.989345,0.00115402);(187.941223,0.00057806);(187.956713,0.00036514);(188.857661,0.00070698);(188.893592,0.00929801);(188.948404,1.0);(188.984795,0.0565823);(189.950674,0.04248865);(189.978045,0.00016474);(189.987548,0.00061903);(190.872868,0.00066122);(190.95282,0.00960934);(190.964051,0.02636058);(191.864387,0.00575732);(192.960024,0.00028965);(193.013478,0.00034171);(193.859912,0.05354682);(193.880387,0.00045346);(193.896162,0.00220466);(194.868119,0.00364295);(194.941022,0.00095526);(194.992684,0.00026793);(195.875598,0.02226082);(197.87155,0.00014197);(197.874368,0.00013873);(198.052726,0.0011964);(199.850338,0.0115758);(199.962456,0.00040112);(200.858561,0.00338828);(200.948958,0.00774371);(200.967691,0.00013824);(201.866363,0.00015196);(201.884779,0.00013545);(201.95687,0.03389499);(202.9094,0.00080695);(202.964731,0.01104819);(202.986789,0.00166054);(203.868399,0.00260276);(203.880797,0.00893316);(203.935564,0.00203073);(203.972553,0.03464309);(204.888602,0.01348368);(204.960323,0.00049015);(204.973126,0.00061977);(205.860339,0.00523923);(205.876659,0.00020874);(205.971049,0.00080952);(206.868081,0.00135177);(206.903976,0.00014772);(207.966975,0.0330443);(208.920407,0.00085987);(208.969561,0.00014026);(209.854862,0.00184896);(210.862823,0.0040688);(210.8828,0.00097414);(210.899959,0.00597985);(210.917664,0.00019364);(211.024437,0.00024935);(211.87055,0.00532622);(212.074296,0.00736798);(212.878469,0.02336637);(214.874371,0.00083139);(214.876267,0.00084205);(214.890279,0.00059751);(214.905459,0.00175218);(214.917215,0.00255407);(214.929296,0.00534367);(214.945782,0.00119849);(214.952249,0.00148202);(214.964878,0.01401318);(214.985439,0.00527526);(214.998178,0.00097889);(215.845662,0.00216585);(216.889298,0.00012715);(216.925084,0.00239981);(216.961788,0.00124882);(216.980416,0.08319423);(217.002061,0.01563737);(217.012966,0.00012918);(217.896487,0.00151965);(217.981486,0.00887613);(218.006781,0.00013094);(218.868043,0.00113683);(218.892235,0.0006034);(218.904225,0.01721104);(218.959025,0.00111184);(218.978302,0.00022652);(219.875701,0.00406003);(220.87201,0.00175822);(220.883469,0.01883268);(221.891517,0.00021496);(222.863997,0.00019861);(222.880348,0.00117299);(222.900279,0.01029964);(223.027646,0.00640233);(224.915742,0.00072546);(227.753424,0.00012712);(227.972594,0.00021055);(229.884502,0.00024075);(230.868792,0.00902075);(230.959565,0.00404482);(230.979431,0.00206732);(231.966657,0.00181687);(232.883838,0.00202858);(232.974962,0.0707235);(233.800372,0.0005008);(233.821008,0.00012544);(233.891812,0.0001923);(233.977787,0.00322733);(234.863018,0.00656417);(234.883294,0.00324155);(234.899246,0.00441918);(235.815685,0.00297023);(235.87086,0.01382001);(235.891768,0.00047687);(235.907068,0.00635748);(236.823372,0.00023218);(236.87866,0.03544141);(236.914181,0.00026943);(237.055146,0.0032643);(237.886869,0.01965202);(238.87515,0.00148098);(239.019326,0.00276117);(239.882338,0.00104792);(240.855862,0.00255944);(242.835009,0.00036955);(242.869074,0.0083566);(242.980903,0.00071065);(244.904166,0.00037848);(244.975527,0.05736199);(245.892138,0.00108323);(245.976961,0.00688833);(246.867063,0.0013244);(246.899537,0.01862975);(247.779678,0.00024456);(247.839088,0.00022512);(248.878174,0.00117466);(248.89605,0.00038486);(249.795078,0.00022838);(249.815563,0.00098698);(250.803233,0.00025558);(250.894805,0.00044629);(251.811021,0.01609824);(251.90243,0.00166281);(252.819147,0.00044196);(252.873586,0.00061958);(254.871386,0.00022408);(255.030446,0.0001503);(255.842628,0.00091221);(256.85081,0.00703704);(258.829913,0.00294057);(258.847584,0.00012884);(258.91972,0.00103127);(260.572687,0.00014164);(260.878921,0.00052145);(260.900109,0.0021048);(260.914993,0.03074374);(261.887021,0.00328369);(261.915654,0.00036342);(262.804482,0.00024645);(262.894675,0.03034445);(262.910303,0.0003784);(263.774695,0.00783156);(263.896946,0.00038608);(264.891465,0.00194084);(264.910307,0.0053689);(265.790419,0.00166303);(265.811004,0.00447741);(265.826777,0.00902509);(265.880969,0.00048666);(266.818421,0.00256325);(266.834054,0.00047716);(267.066463,0.00013208);(267.790114,0.00038226);(267.806084,0.02833072);(268.814231,0.02063609);(268.94247,0.00029352);(270.810477,0.00035377);(271.875167,0.00014657);(271.894353,0.00032328);(272.845998,0.00036264);(273.815825,0.00013009);(273.853578,0.0006297);(274.894661,0.00014117);(275.810958,0.004322);(276.893633,0.00633358);(276.909994,0.00279285);(277.791184,0.0002233);(277.82728,0.00088765);(277.882079,0.00402126);(277.901554,0.00559473);(278.889448,0.05610738);(278.925541,0.00929496);(279.769659,0.00462619);(279.808457,0.00047312);(279.897421,0.05788697);(280.797447,0.00034137);(280.903503,0.00574841);(281.786277,0.00484217);(281.805471,0.0244119);(282.793132,0.01274953);(282.810206,0.00113511);(282.86664,0.0002556);(283.800832,0.12251915);(283.837259,0.00135136);(284.032151,0.00315478);(284.808067,0.0111968);(285.039861,0.00026875);(285.799309,0.00114721);(285.816832,0.01027572);(289.904403,0.00014561);(290.888867,0.00013773);(291.806867,0.00052357);(291.826201,0.00274983);(292.814243,0.00133769);(293.822276,0.02192124);(293.913634,0.00139475);(294.828912,0.00426198);(294.884391,0.00152188);(294.994853,0.00023116);(296.845282,0.00017511);(296.898966,0.00037826);(298.787686,0.00032796);(298.861035,0.00113083);(299.019909,0.00028626);(299.81547,0.00013951);(300.858794,0.00029526);(301.811336,0.00623385);(302.820489,0.00033361);(302.909236,0.00113629);(303.241695,0.00019264);(303.89711,0.00409022);(304.905169,0.02261495);(305.841666,0.00050556);(305.906727,0.00081806);(306.812901,0.00132797);(306.830027,0.00032559);(306.90215,0.00026408);(307.80174,0.00281013);(307.820106,0.00267216);(307.837628,0.01079956);(308.809104,0.01768752);(308.828587,0.0065904);(308.846039,0.00050932);(309.816538,0.0261148);(310.824727,0.03704925);(311.811893,0.00066368);(311.827239,0.00037105);(314.042632,0.00057125);(315.050501,0.00073907);(319.912487,0.00065938);(320.899787,0.00962304);(320.919374,0.00188266);(321.907664,0.01845732);(322.915637,0.02292313);(323.796257,0.00293464);(323.815349,0.00786163);(323.83392,0.00153573);(323.850828,0.00012986);(323.917383,0.00024947);(324.802884,0.00160803);(324.823152,0.00097339);(325.790294,0.00071851);(325.811476,0.04947907);(325.829558,0.00200307);(325.84805,0.0036285);(326.819139,0.01875874);(327.050484,0.00022075);(327.808011,0.00528118);(327.827047,0.02141593);(329.066442,0.00136767);(330.037068,0.00054631);(333.837691,0.00026609);(335.832683,0.00835503);(336.806349,0.00080314);(336.840255,0.00014595);(338.766325,0.00012659);(341.029939,0.00015946);(341.140799,0.00012962);(342.037915,0.01167753);(342.961315,0.0001281);(343.043193,0.00161557);(343.821749,0.01157349);(345.06082,0.00081247);(348.823806,0.00379849);(349.81099,0.00081688);(349.832153,0.00024995);(350.819254,0.02884174);(351.826986,0.01479649);(352.834296,0.00047669);(354.991033,0.00158228);(355.819379,0.00013647);(355.962853,0.00012341);(357.061365,0.01984763);(358.034001,0.00023525);(358.064563,0.00220708);(359.039645,0.00025749);(361.922978,0.00115545);(363.758723,0.00014089);(363.918421,0.02364641);(364.919744,0.00148407);(364.987787,0.00012662);(365.826944,0.0029267);(366.833299,0.00041599);(367.821743,0.02948116);(368.828838,0.0132632);(369.837504,0.0093865);(372.084956,0.00751672);(373.055837,0.0028611);(373.088149,0.00029867);(373.973235,0.0001431);(383.188743,0.00034168);(385.832577,0.00602444);(402.927936,0.00052636)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(57.07067,0.0470839);(61.01143,0.30359769);(62.014881,0.0022534);(62.019245,0.22645521);(63.007207,0.0130401);(63.022591,0.00205612);(63.998483,0.01048007);(64.015014,0.00836147);(69.070583,0.00119568);(70.958731,0.00097964);(71.086235,0.05396418);(72.937936,0.00085891);(79.021875,0.23811243);(80.025246,0.00228888);(81.017629,0.00871644);(81.07051,0.00095319);(83.086203,0.00087278);(85.101818,0.00514366);(89.060326,0.00101718);(91.057983,0.00109541);(95.085982,0.00128831);(98.975811,0.00134696);(114.948583,0.0060085);(121.065092,0.01148602);(122.941219,0.0035225);(125.005819,0.00129144);(132.958536,0.01057386);(133.948784,0.00355629);(134.956308,0.00895418);(135.044229,0.0462613);(136.047486,0.00172784);(136.956483,0.00074868);(139.111848,0.00092941);(140.016482,0.00080586);(144.958743,0.00231471);(145.064908,0.01100332);(146.975604,0.00989185);(147.080473,0.00270873);(147.974886,0.001184);(148.956429,0.00113565);(148.971934,0.16354885);(149.023454,0.30618223);(149.971947,0.00146384);(150.026806,0.02574177);(150.951242,0.06682023);(150.968246,0.01208275);(152.951762,0.01765465);(152.967067,0.00544375);(153.959363,0.01869032);(154.946887,0.00593526);(155.954811,0.00516815);(158.953673,0.01676373);(159.044194,0.00112366);(160.951715,0.006469);(160.990198,0.00138239);(162.951364,0.01027998);(163.97717,0.00093851);(164.951566,0.00311629);(166.982464,0.02903351);(167.03399,0.00592246);(168.961736,0.02341086);(168.982878,0.00874022);(170.96239,0.00182234);(170.978314,0.00170151);(176.967244,0.01076104);(177.93828,0.00809816);(178.946229,0.00566621);(179.954609,0.00160054);(180.174843,0.00265546);(180.961857,0.01177598);(182.962267,0.00674582);(184.957559,0.00160446);(185.949547,0.0011408);(185.961598,0.0277917);(186.878761,0.01388939);(186.962118,0.00084694);(187.88637,0.00276696);(187.97722,0.0025671);(188.967376,0.00621172);(190.966452,0.06153309);(191.000706,0.00149648);(191.070368,0.00149281);(191.964371,0.02110433);(192.961804,1.0);(193.964328,0.04920102);(194.962717,0.06601074);(194.97765,0.00207741);(195.94901,0.00424105);(196.957617,0.0384121);(198.021814,0.00253093);(198.8791,0.00172075);(198.954811,0.0021626);(202.967804,0.00131775);(203.127893,0.00231685);(204.888623,0.0051891);(204.96222,0.09037757);(204.983494,0.00176198);(205.962719,0.00931965);(205.987855,0.02500987);(206.959758,0.00296794);(206.977863,0.08634606);(206.988229,0.00186147);(207.875835,0.0020698);(207.97832,0.00849482);(208.883762,0.00177006);(208.976909,0.03541432);(209.97532,0.01556289);(210.972294,0.54576438);(211.974653,0.03032479);(212.972841,0.12462311);(213.962271,0.00178846);(213.975099,0.00207607);(214.82204,0.0013893);(214.835068,0.00138453);(214.844156,0.00133213);(214.847534,0.0014407);(214.849655,0.00144131);(214.859069,0.00111332);(214.871843,0.00256153);(214.88399,0.00230873);(214.896006,0.00232783);(214.905548,0.001261);(214.913793,0.00132526);(214.926124,0.00320934);(214.938021,0.00359883);(214.949919,0.00348198);(214.95721,0.00258204);(214.968221,0.05452892);(215.970008,0.00127897);(216.889003,0.00082032);(216.96539,0.00533379);(218.888646,0.00248864);(218.956858,0.00152296);(220.903519,0.00735669);(220.955882,0.00153459);(221.901906,0.00074234);(222.865919,0.00087819);(222.898707,0.0835855);(223.900184,0.00174891);(224.89906,0.02056377);(225.886537,0.00321491);(226.047159,0.00160223);(226.894675,0.00624574);(227.091393,0.00392149);(227.900632,0.00362732);(228.889451,0.00645926);(229.896006,0.05294572);(231.896398,0.00711418);(232.883437,0.02451338);(233.891782,0.03536581);(233.988129,0.00211877);(234.021878,0.00686721);(234.899491,0.06160337);(235.899888,0.00309738);(236.89872,0.00092869);(238.89401,0.00109897);(238.913825,0.01305424);(238.967857,0.00513546);(239.901328,0.01729421);(240.876881,0.00211891);(240.894386,0.01483844);(240.909134,0.11781416);(241.07076,0.03144272);(241.911097,0.00408904);(242.07406,0.00171172);(242.890054,0.00404805);(242.909721,0.04815758);(244.884239,0.01228725);(244.904529,0.02229156);(245.891423,0.01121922);(246.898468,0.04717942);(247.906686,0.03362431);(248.878466,0.01543381);(248.899143,0.02337372);(248.912413,0.00126082);(249.885949,0.00485108);(249.907146,0.01538826);(250.894036,0.09539714);(251.894629,0.00494861);(251.904675,0.00209209);(251.974796,0.00092776);(252.87704,0.00220581);(252.893798,0.02260438);(252.908695,0.00113388);(253.902338,0.00172159);(253.917792,0.00133256);(254.889671,0.00312891);(254.902136,0.00432214);(256.900356,0.00138472);(257.892316,0.00431534);(258.899251,0.05691864);(259.899773,0.00510529);(260.89968,0.00381253);(260.915997,0.00155526);(261.905921,0.01614857);(262.878544,0.00153633);(262.894923,0.01489635);(262.914015,0.06785673);(263.900785,0.1230886);(263.912316,0.01637022);(264.909284,0.53195681);(265.912014,0.04286489);(265.990979,0.01198321);(266.891428,0.00339993);(266.909789,0.19208751);(266.924377,0.00716054);(267.911191,0.01166139);(268.887338,0.00237628);(268.905149,0.0891452);(269.891949,0.0057478);(269.906993,0.00490735);(270.901723,0.06072711);(271.900748,0.00664564);(272.900752,0.01498118);(273.88639,0.00452816);(273.906768,0.01252719);(274.893866,0.03308129);(274.91407,0.00550183);(274.969979,0.00081615);(275.901997,0.16169114);(276.909859,0.3685572);(276.927898,0.00193563);(277.912051,0.04415518);(278.908683,0.01400317);(278.925148,0.02063267);(279.898128,0.01338184);(279.916507,0.10992996);(280.904103,0.02395324);(280.924619,0.04111233);(281.080741,0.00169188);(281.911823,0.85736988);(282.901965,0.05433667);(282.919569,0.37958583);(283.89281,0.00149981);(283.911758,0.04401377);(284.882333,0.00560371);(284.901741,0.03600313);(284.919914,0.21049491);(285.906828,0.01424771);(285.922767,0.0104892);(286.89479,0.09665902);(286.916291,0.09068194);(287.895236,0.02076809);(287.918268,0.00442108);(288.893455,0.00411823);(288.911327,0.04704754);(289.916833,0.00476112);(290.90994,0.00992811);(290.926213,0.01075706);(291.896776,0.02915638);(292.904788,0.00706841);(293.894346,0.00217954);(293.912432,0.00311668);(293.933156,0.00095688);(294.902371,0.02380449);(295.096727,0.00124824);(295.911442,0.00396964);(295.928259,0.06724594);(296.103715,0.00147753);(296.881842,0.0021755);(296.89991,0.00140112);(296.931693,0.01020166);(297.075736,0.00109412);(297.816426,0.00105428);(297.907888,0.00181803);(297.927991,0.0081581);(298.914501,0.00137381);(299.906619,0.0010138);(299.924393,0.00200127);(300.877284,0.00084066);(300.910206,0.05611284);(301.826562,0.00231778);(301.911151,0.00645733);(302.832829,0.00243703);(302.89322,0.00083776);(302.911396,0.01024277);(302.927662,0.00315852);(304.832466,0.00101139);(304.887651,0.00114344);(304.905369,0.01924756);(304.925012,0.01938619);(305.821521,0.00092289);(305.923051,0.00447693);(306.919843,0.1442195);(307.922446,0.01305781);(308.881402,0.00346029);(308.919826,0.02319214);(308.936946,0.01519499);(309.075667,0.00486661);(309.937371,0.00155937);(310.110056,0.01486014);(310.84458,0.00081145);(310.915774,0.01116307);(311.091494,0.01410962);(311.112274,0.00089287);(311.90422,0.00866489);(312.097147,0.00212618);(312.125661,0.00316517);(312.83938,0.01129417);(312.912524,0.00268308);(313.106572,0.00177155);(314.839414,0.00427222);(314.891618,0.00200591);(314.90994,0.00114611);(316.814374,0.00099403);(316.834976,0.00172182);(316.904844,0.02292801);(316.924711,0.00590663);(317.821636,0.01253473);(318.82887,0.01528594);(318.920382,0.12338051);(319.836461,0.02152922);(319.922224,0.02385074);(320.82876,0.00432958);(320.918388,0.02471839);(320.936595,0.00471617);(321.836513,0.01433508);(322.823755,0.0341486);(322.914737,0.18196811);(323.092386,0.00199474);(323.831486,0.01937998);(323.919003,0.01878418);(324.098583,0.00106209);(324.911806,0.00321956);(324.931047,0.02177389);(325.070371,0.00103018);(325.106413,0.00105427);(325.83145,0.00340407);(326.832623,0.00124226);(326.892048,0.00983163);(326.911606,0.00107183);(326.930587,0.00420285);(327.086342,0.03545221);(327.121864,0.00330901);(327.827073,0.00483575);(328.090561,0.00600747);(328.12083,0.01128162);(328.833879,0.00864004);(328.905647,0.00859696);(328.926438,0.00209283);(329.065794,0.00571918);(329.101957,0.0063151);(329.824413,0.00665392);(329.906248,0.00102545);(330.136864,0.00102186);(330.832821,0.00850431);(330.921223,0.02641266);(331.922634,0.00441928);(332.829535,0.00173801);(332.936817,0.01464299);(333.815961,0.00213871);(333.836271,0.00303159);(333.938648,0.0016305);(334.823856,0.0037706);(334.844045,0.01590556);(335.830344,0.03009131);(335.905262,0.00469601);(336.839211,0.09820526);(336.930503,0.01977923);(337.07051,0.0016369);(337.84494,0.01544622);(337.919116,0.01494176);(337.939211,0.00923868);(338.839674,0.01449734);(339.086291,0.012842);(339.826587,0.00421188);(339.847662,0.00405014);(339.919636,0.00493968);(340.090753,0.00125679);(340.835835,0.00511396);(341.011039,0.01475113);(341.065623,0.00746475);(341.101982,0.01330147);(341.843486,0.00169487);(341.91546,0.04687626);(342.108135,0.00332702);(342.832178,0.00533832);(342.886825,0.0074725);(342.919257,0.00349577);(342.990289,0.00097368);(343.081151,0.00377297);(343.117537,0.01399371);(343.834625,0.00153022);(344.08827,0.0017142);(344.123292,0.00340712);(344.829171,0.00617304);(344.88649,0.0012465);(346.022861,0.0063783);(346.823582,0.00835781);(347.83277,0.00291016);(348.839984,0.00645275);(348.95249,0.00794534);(349.847922,0.00788949);(350.947105,0.11213812);(350.9956,0.00220664);(351.846611,0.01484483);(351.900067,0.01741237);(351.948051,0.03170816);(352.833869,0.0013406);(352.901663,0.00127123);(352.947328,0.0071601);(353.842144,0.07707776);(354.848429,0.01714287);(354.98985,0.00464284);(355.081271,0.01973543);(355.117602,0.00526709);(355.843108,0.01030351);(355.931479,0.032754);(356.08671,0.00383488);(356.84878,0.01141388);(356.932565,0.00343225);(357.096721,0.0606568);(357.133673,0.00254491);(357.839734,0.00209996);(357.93093,0.00264201);(358.01343,0.00289438);(358.100531,0.01162361);(358.844076,0.08353457);(358.984835,0.0199901);(359.021039,0.01451104);(359.075997,0.0354922);(359.11218,0.00328407);(359.84393,0.01589356);(359.988134,0.0017337);(360.079367,0.00324069);(360.839051,0.44867338);(361.841192,0.06310687);(361.938518,0.00442047);(362.529157,0.00199603);(362.839481,0.10664428);(362.877549,0.00223165);(363.029758,0.00082806);(363.823554,0.00092967);(363.84305,0.0078155);(364.032076,0.00161832);(364.835087,0.05720058);(364.962249,0.00450409);(365.063178,0.08094402);(365.839955,0.01410023);(366.066348,0.01433901);(366.833954,0.01090947);(367.859004,0.00749854);(369.096532,0.0029671);(369.836769,0.02174007);(370.041011,0.02924418);(370.542713,0.01081485);(370.842918,0.00753901);(371.042116,0.00285849);(371.835621,0.01730937);(372.120184,0.02372612);(372.839426,0.01411044);(373.091824,0.12209388);(373.122278,0.00468618);(373.831891,0.00615654);(373.855208,0.00093366);(374.096082,0.03051145);(374.855804,0.00786907);(375.099141,0.00185948);(375.827362,0.00961967);(375.854076,0.00138293);(376.831345,0.00280503);(376.855017,0.02086139);(376.995302,0.00625773);(377.853266,0.01274591);(378.849983,0.12566196);(379.853041,0.02746795);(380.086807,0.00151884);(380.849983,0.10240608);(381.836602,0.01041887);(381.853542,0.00610525);(382.847022,0.05416098);(383.850714,0.01122452);(384.842035,0.02432786);(385.127997,0.01307033);(385.843367,0.00332291);(386.131327,0.00145411);(386.84028,0.00298294);(387.143714,0.04080874);(387.847356,0.00230776);(388.114961,0.02132965);(388.146241,0.00740518);(388.833869,0.01517119);(389.122298,0.02256658);(389.84629,0.00335553);(390.125901,0.00201924);(390.85041,0.01298756);(391.852534,0.0011308);(394.844642,0.01931927);(396.842126,0.00077321);(399.144005,0.00289311);(400.263476,0.00288359);(400.834399,0.01275064);(401.835884,0.00133064);(402.851322,0.00853365);(403.138717,0.02815239);(403.853012,0.0009571);(404.141802,0.00350699);(404.849725,0.00970915);(406.844431,0.06704702);(407.845851,0.01345451)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.209641,0.00018533);(51.623956,0.00026156);(52.160986,0.00017153);(52.549934,0.00017023);(52.70494,0.00020602);(52.948362,0.00021736);(53.620282,0.00019509);(55.685401,0.00021686);(57.033266,0.00022189);(57.412297,0.00023973);(57.659276,0.00019978);(58.374051,0.0002319);(58.875384,0.00017189);(59.003969,0.00052075);(59.01247,1.0);(59.020764,0.00200494);(59.89346,0.00032188);(60.015798,0.02029622);(60.123558,0.00022912);(61.016713,0.00123612);(61.98697,0.04044482);(63.961059,0.01806975);(64.254406,0.00017096);(64.776301,0.00024281);(64.795857,0.00022394);(65.898427,0.00026142);(65.957259,0.00019716);(66.043663,0.00027487);(67.089999,0.00017943);(67.767071,0.00021558);(68.996633,0.00022346);(69.008052,0.00021532);(69.220131,0.00018812);(71.012458,0.00166275);(71.449356,0.00017155);(72.703921,0.00018614);(72.991748,0.05446641);(73.028085,0.00017948);(73.543521,0.00017922);(73.963727,0.00017842);(73.994793,0.00021243);(74.166867,0.00017993);(74.952512,0.01155588);(75.007431,0.00024026);(75.501323,0.00017272);(77.344837,0.00018963);(77.925738,0.0001907);(78.957632,0.00086523);(78.984564,0.04058513);(79.258591,0.0001709);(79.956019,0.0249986);(80.963787,0.01580938);(80.980451,0.00019237);(82.762496,0.00019282);(83.865429,0.00018019);(84.29791,0.00024473);(85.609021,0.00028751);(85.928531,0.00064696);(85.977646,0.00018045);(86.422309,0.00023522);(86.952881,0.0005398);(87.923947,0.05110052);(88.031508,0.00019737);(88.931839,0.00244041);(89.022828,0.00022937);(89.041466,0.00097018);(89.388599,0.00017443);(89.621375,0.00018522);(89.924364,0.00347611);(90.235206,0.00023862);(90.932157,0.00537427);(90.947449,0.00111218);(91.919721,0.00039915);(92.411945,0.00018047);(92.927771,0.0004952);(93.033305,0.00032322);(93.353366,0.00018367);(94.979502,0.19796218);(95.978883,0.00017854);(96.958774,0.00472433);(96.975329,0.00518787);(97.028048,0.00022439);(97.929949,0.00273875);(98.857166,0.00017549);(99.007359,0.00065376);(99.43486,0.00027674);(99.924493,0.14328262);(100.717442,0.00019529);(100.924646,0.01407525);(100.932292,0.02296059);(101.923333,0.00726886);(101.932106,0.00017455);(102.452226,0.00017632);(102.928019,0.00044907);(102.931537,0.0040901);(102.947483,0.01068147);(103.321748,0.00017617);(103.918928,0.13431653);(104.919001,0.00051954);(104.926732,0.11253052);(105.927059,0.00053805);(105.934589,0.00780052);(106.922598,0.00022921);(106.927117,0.00140054);(106.942501,0.01225319);(109.028016,0.00029818);(110.722215,0.0001903);(112.492947,0.00017705);(113.925005,0.00259205);(114.015329,0.00017863);(114.93262,0.00036559);(114.947934,0.01731817);(115.919469,0.19490597);(115.942198,0.00020211);(115.947761,0.00018147);(116.919791,0.02109786);(116.927255,0.09627152);(116.963183,0.03005244);(117.033059,0.00021049);(117.917926,0.002478);(117.923271,0.00023238);(117.927485,0.00821136);(118.295798,0.00017894);(119.111673,0.00018738);(119.85276,0.00018373);(121.914207,0.00029587);(121.949783,0.00040546);(123.945212,0.04220816);(124.986703,0.00032979);(125.927843,0.00043767);(125.932591,0.00019865);(125.940967,0.00019696);(126.357869,0.00023539);(126.928793,0.00323785);(127.363362,0.00017302);(128.947129,0.00146693);(128.963388,0.00099157);(129.934811,0.00242227);(130.158092,0.00017508);(130.92335,0.0011683);(130.936834,0.00032126);(130.942491,0.07476061);(130.978852,0.00481411);(132.958139,0.00490206);(134.893213,0.00022476);(135.525554,0.00021065);(136.139139,0.00017243);(136.159692,0.00025852);(137.023695,0.00019842);(138.145158,0.00017536);(140.948195,0.00065027);(141.935225,0.00885438);(142.923961,0.00090225);(142.94306,0.10216285);(142.949426,0.0005116);(142.962861,0.02689629);(143.931784,0.00024038);(143.943215,0.00676274);(143.950659,0.00161365);(144.575142,0.0002916);(144.941765,0.00594434);(144.958192,0.46075348);(144.994597,0.00052425);(145.750365,0.00019094);(145.960402,0.00550499);(145.966285,0.01218121);(146.88278,0.0019828);(146.937482,0.15763322);(146.943794,0.00156137);(146.974005,0.00453493);(147.93931,0.00051675);(147.945485,0.01456598);(148.461215,0.00024611);(148.482398,0.00031432);(148.933183,0.00210445);(148.953135,0.00484947);(149.00859,0.00052548);(149.023671,0.00021238);(149.573502,0.00017434);(149.94125,0.00092344);(150.915018,0.00072805);(150.933785,0.00023013);(152.893898,0.00256472);(153.017979,0.00043533);(154.998008,0.00020926);(156.958779,0.02686386);(157.930126,0.00619968);(158.477318,0.00018267);(158.918396,0.00026723);(158.938042,0.03983864);(158.954889,0.00040476);(158.974196,0.00397216);(159.246284,0.00028036);(159.929868,0.00018757);(159.938534,0.0011742);(159.945885,0.00996208);(160.015868,0.00019804);(160.891593,0.00026906);(160.953207,0.00484164);(161.869849,0.006691);(161.924674,0.03913656);(161.961628,0.00219469);(162.877462,0.00291474);(163.960611,0.00048713);(164.930274,0.00105025);(165.955949,0.03917275);(166.909803,0.00790281);(167.917577,0.00024062);(168.889052,0.00631749);(168.909678,0.00029892);(169.013236,0.000279);(171.085315,0.00017139);(171.969304,0.00029233);(171.998139,0.00019684);(172.939177,0.00681718);(172.953353,0.01017492);(172.973971,0.00073489);(173.961583,0.00249117);(173.971334,0.00024289);(174.863405,0.00020688);(174.877559,0.00043744);(174.933059,0.26338085);(174.968895,0.03919009);(174.991642,0.01015078);(175.849265,0.0080351);(175.871836,0.00017652);(175.885449,0.00164385);(175.933046,0.02656806);(175.972457,0.00057938);(176.857153,0.00364294);(176.877295,0.0009643);(176.893543,0.00689026);(176.930963,0.00257466);(176.937883,0.00027227);(177.864941,0.01635385);(178.872607,0.03034296);(179.881943,0.00112419);(180.938535,0.00018309);(181.256839,0.0001739);(182.959355,0.00132013);(183.011359,0.00287964);(183.028973,0.0049737);(183.082621,0.0002126);(183.876579,0.00067004);(183.912498,0.00026277);(184.953948,0.0660766);(185.892008,0.00477414);(185.954299,0.00409571);(186.07389,0.0001739);(186.878317,0.00470413);(186.952817,0.02580125);(186.969218,0.0027174);(188.857542,0.00161197);(188.893698,0.01389598);(188.94838,0.40221337);(188.984935,0.02735247);(188.993739,0.00028072);(189.856239,0.0001888);(189.950523,0.00966174);(189.955776,0.00519651);(190.424599,0.00018227);(190.872893,0.00037741);(190.953615,0.00135613);(190.964079,0.01983018);(191.864514,0.00534638);(191.917153,0.00022404);(192.853099,0.00021702);(192.873671,0.00032869);(193.841868,0.00019113);(193.8599,0.06584963);(193.8804,0.00063056);(193.896387,0.00755256);(194.429218,0.00019844);(194.868033,0.0037402);(194.904914,0.00020001);(194.992854,0.00035347);(195.471823,0.00019968);(195.8756,0.03684798);(197.010015,0.00027218);(197.856416,0.00019487);(199.850338,0.00618648);(200.858478,0.00410148);(200.948422,0.00144625);(201.956994,0.01138483);(202.24215,0.00017382);(202.909477,0.00110388);(203.868071,0.00229909);(203.880659,0.00569971);(203.972496,0.01096246);(204.888697,0.01315597);(205.860619,0.00681553);(206.45877,0.00018519);(206.904261,0.00060038);(207.966937,0.02192043);(208.144899,0.00018268);(209.008453,0.00018967);(209.83828,0.00018467);(209.854897,0.00353367);(210.86284,0.00616265);(210.88297,0.00110478);(210.900414,0.00135785);(211.870715,0.00628762);(212.074588,0.00157973);(212.878433,0.03665445);(214.874754,0.00036899);(214.888648,0.00144882);(214.902575,0.00442548);(214.915771,0.00259243);(214.928671,0.00610834);(214.94848,0.00421807);(214.966243,0.00523064);(214.980271,0.00458232);(215.845706,0.00187587);(216.925103,0.00170888);(216.980416,0.0089272);(217.001945,0.00051488);(217.896464,0.00441729);(218.868127,0.00070044);(218.888696,0.00022157);(218.904409,0.01952707);(219.875825,0.00373319);(220.871741,0.00152103);(220.883793,0.02034946);(220.899574,0.00018709);(221.538601,0.00017547);(221.871802,0.000414);(222.417411,0.00018325);(222.864784,0.00020244);(222.880407,0.00097592);(222.90039,0.00119104);(223.027955,0.00419486);(224.027615,0.00020552);(226.647852,0.00019305);(230.869269,0.00102082);(231.006534,0.0001871);(231.967569,0.00026475);(232.883848,0.00029822);(232.975221,0.0081754);(233.872259,0.0001857);(233.891895,0.00020881);(234.863188,0.0054975);(234.883587,0.00176026);(234.899612,0.00720282);(235.816964,0.00073412);(235.870946,0.0094867);(235.89198,0.00122093);(235.907228,0.01707011);(236.825782,0.00019128);(236.878826,0.03339923);(237.055439,0.00319545);(237.886881,0.03003871);(238.875418,0.00158701);(239.882192,0.00065591);(240.856221,0.00022207);(242.8353,0.00040026);(242.869916,0.00044445);(244.975772,0.00203549);(245.858716,0.00018817);(246.866866,0.00043397);(246.899657,0.00550168);(247.838517,0.00061971);(250.803165,0.00129101);(251.541084,0.00017523);(251.811211,0.01534931);(251.902567,0.00020681);(252.818503,0.00059088);(252.874159,0.00056416);(255.844628,0.00019583);(256.039802,0.00017202);(256.851296,0.00382691);(257.17215,0.00019225);(257.820268,0.00028576);(258.830334,0.00490323);(259.631138,0.00018666);(260.826729,0.00021259);(260.901495,0.00050702);(260.915597,0.01531368);(261.020674,0.000176);(261.888253,0.00030565);(262.805836,0.00021326);(262.894961,0.01512983);(262.910586,0.00054246);(263.775086,0.00562099);(264.91062,0.00071779);(265.790634,0.00137361);(265.811429,0.00339495);(265.827106,0.00841522);(266.799772,0.00036645);(266.818819,0.00560877);(266.834032,0.00018803);(267.806094,0.03372634);(268.814164,0.04313841);(268.941341,0.00021576);(270.810127,0.00076524);(271.026372,0.00018221);(272.201794,0.00019497);(272.846702,0.00019643);(273.817261,0.00018251);(273.853961,0.0003522);(274.177184,0.00017658);(275.133694,0.00017681);(275.811371,0.0053551);(276.894203,0.00031945);(277.806401,0.00018499);(277.901483,0.00158098);(278.259182,0.00025772);(278.889732,0.01539949);(278.910179,0.00017161);(278.926134,0.00357813);(279.769929,0.00663035);(279.897224,0.04434579);(280.797896,0.00221121);(280.902829,0.00175793);(281.786534,0.00426101);(281.805842,0.03052656);(281.845206,0.00037952);(282.793158,0.0277253);(282.810377,0.00118822);(282.850024,0.00024084);(283.023632,0.00028688);(283.618298,0.00025938);(283.801049,0.17151699);(283.837594,0.00048295);(284.032866,0.00134665);(284.807795,0.01336932);(285.039438,0.00018873);(285.800447,0.00117932);(285.81693,0.01122939);(286.045228,0.0001872);(287.018737,0.00018562);(287.417459,0.00028275);(291.537964,0.00017944);(291.806081,0.00045106);(291.826503,0.00067672);(292.81432,0.00024288);(293.822382,0.01246219);(294.810194,0.0016531);(294.829303,0.00042792);(296.416919,0.00018406);(296.844946,0.00020726);(298.788698,0.00049604);(298.863086,0.00020481);(299.019784,0.0036371);(299.816048,0.00033674);(300.841593,0.00024773);(301.811403,0.00870715);(302.818729,0.0002006);(302.908697,0.00020701);(303.810416,0.00018888);(303.897719,0.00027398);(304.781956,0.00017747);(304.905332,0.00976826);(305.263004,0.00026923);(305.909409,0.00024204);(306.812394,0.00133641);(307.82151,0.00021568);(307.837972,0.00282615);(308.80948,0.01775465);(308.828465,0.00412314);(309.816824,0.01599541);(310.824777,0.03980088);(312.028382,0.00033907);(313.673875,0.00027909);(314.043355,0.00070347);(315.015019,0.00067724);(315.051048,0.0003387);(321.907788,0.00132324);(322.91599,0.01025548);(323.795009,0.00028662);(323.814953,0.00049715);(324.803785,0.00048561);(325.812091,0.02306274);(325.830634,0.00018848);(325.849046,0.00023313);(326.797976,0.00020886);(326.818554,0.00545464);(327.014687,0.01011904);(327.807683,0.00233928);(327.827486,0.01277842);(328.018971,0.00043314);(329.066812,0.00022003);(334.987155,0.00026163);(339.854419,0.00019248);(342.038333,0.01414882);(343.010106,0.00025871);(343.042537,0.00076936);(343.82237,0.00036425);(343.960998,0.00036406);(345.061041,0.0002032);(350.732852,0.00017681);(350.819643,0.00663648);(351.824922,0.00092743);(354.993077,0.00022644);(355.964231,0.00018996);(357.062304,0.00144864);(367.821266,0.00074562);(368.607676,0.00017712);(369.838814,0.00023904);(384.010977,0.0002104);(392.94788,0.00027454)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.869055,0.00021411);(51.58389,0.0001557);(53.19344,0.00014279);(54.331324,0.00014953);(54.886074,0.00014456);(54.950913,0.00015203);(55.940442,0.00015481);(56.096175,0.00015778);(56.201195,0.00019228);(56.917969,0.00015917);(57.033166,0.00023777);(57.130772,0.00016122);(57.386633,0.00018763);(58.698063,0.0001451);(59.004362,0.00153415);(59.012465,1.0);(59.020964,0.00169238);(59.034494,0.00014246);(59.658333,0.00017342);(59.794199,0.00014706);(60.015793,0.02247449);(60.360151,0.00013823);(60.541294,0.00014454);(60.887294,0.0001448);(61.016699,0.00228323);(61.986968,0.03653962);(63.233109,0.00016087);(63.54071,0.00014253);(63.825441,0.00016092);(63.961056,0.03852993);(64.968864,0.00045648);(65.001894,0.00308401);(65.95695,0.00015978);(67.336541,0.0001717);(68.240149,0.00014495);(68.948132,0.00014012);(68.996792,0.00102882);(69.033171,0.00063906);(69.071463,0.00018585);(70.930619,0.00014567);(71.012505,0.00123989);(71.048783,0.00042919);(71.41952,0.00014887);(72.415494,0.00025756);(72.991757,0.12017945);(73.995065,0.00033036);(74.298155,0.00014206);(74.952503,0.01016928);(75.007429,0.00017321);(75.347746,0.00014732);(75.607248,0.00014168);(75.679297,0.00014247);(77.072798,0.00015283);(77.106239,0.00014084);(78.957698,0.00133954);(78.98457,0.02817191);(79.953546,0.00050641);(79.955992,0.04646581);(80.759053,0.00016811);(80.963835,0.01316614);(81.690564,0.00016069);(81.951611,0.00017979);(83.514194,0.00014464);(83.849755,0.00013827);(85.513859,0.00023332);(85.928591,0.00465543);(85.985879,0.00016176);(86.559298,0.00015541);(86.694702,0.00014488);(86.805198,0.00015273);(87.224742,0.00019891);(87.418724,0.00017999);(87.458116,0.00016592);(87.486677,0.0001391);(87.53817,0.00014948);(87.875628,0.00014331);(87.923965,0.11502164);(87.928759,0.0001383);(88.924317,0.00016369);(88.931792,0.00218221);(89.022979,0.00033416);(89.360437,0.00013892);(89.924369,0.00340942);(90.227851,0.00013848);(90.932239,0.00356165);(90.947492,0.00073229);(91.017469,0.00015198);(91.919756,0.00014232);(92.927769,0.00020883);(92.999925,0.00060332);(93.033237,0.00083748);(93.481879,0.00014718);(94.271182,0.00014784);(94.399429,0.00018429);(94.979504,0.16043765);(95.012447,0.00054402);(95.950885,0.00033875);(95.98305,0.00019028);(96.958771,0.00565421);(96.975312,0.00410633);(97.064321,0.00016824);(97.413918,0.00021956);(97.929998,0.00841353);(97.950095,0.00017191);(98.033206,0.00014865);(98.111465,0.00016418);(98.530856,0.00014424);(99.007172,0.00016324);(99.924502,0.22199599);(100.196307,0.00016162);(100.758015,0.00014493);(100.825508,0.00014417);(100.912798,0.00014578);(100.924646,0.02491084);(100.928167,0.00059583);(100.932312,0.02218018);(101.299049,0.00015186);(101.923358,0.01438895);(101.932493,0.00056425);(102.611608,0.00019596);(102.931435,0.00373836);(102.947513,0.00725937);(103.016207,0.00015107);(103.918926,0.17610239);(104.919452,0.00077347);(104.926726,0.09732072);(105.922963,0.00015444);(105.927275,0.00019585);(105.93455,0.02639623);(106.922515,0.00140836);(106.927161,0.00099412);(106.942459,0.02096979);(107.012414,0.00017289);(108.020187,0.0004862);(108.8943,0.00014937);(108.938299,0.00036679);(109.028388,0.00041405);(109.895077,0.00014368);(111.007471,0.00014775);(112.903215,0.00013837);(113.096077,0.00015611);(113.471529,0.00013968);(113.924959,0.01249035);(114.574798,0.00014473);(114.932941,0.00018436);(114.947748,0.01383769);(114.968065,0.00018906);(115.643343,0.00016211);(115.897019,0.00018783);(115.919473,0.33671502);(115.942757,0.00039472);(116.064172,0.00013944);(116.690466,0.00013924);(116.901176,0.00014583);(116.91974,0.03872976);(116.927219,0.05980891);(116.944151,0.00038119);(116.963207,0.03549094);(117.033473,0.00115186);(117.917924,0.00762186);(117.923192,0.00066409);(117.927527,0.00387323);(118.926393,0.00016973);(119.297032,0.00015962);(119.914108,0.00078366);(120.523556,0.00017167);(121.0283,0.00092736);(121.914524,0.0002025);(121.949946,0.00477505);(122.544246,0.00023854);(122.556001,0.00016103);(123.007921,0.00019098);(123.945199,0.10992615);(124.98682,0.00138876);(125.927744,0.00036679);(125.932419,0.00038885);(126.928839,0.00716089);(127.787386,0.00052807);(127.792659,0.00110153);(127.795857,0.00068134);(128.077043,0.00013945);(128.458301,0.00014614);(128.947153,0.00296347);(128.963186,0.00089295);(129.661597,0.00017732);(129.922091,0.00030454);(129.934676,0.00269752);(130.060384,0.00014757);(130.923351,0.00345097);(130.942509,0.08204412);(130.978863,0.00156128);(131.228658,0.00015146);(131.836603,0.00016484);(132.020532,0.00333967);(132.922358,0.00086327);(132.938746,0.00034837);(132.980844,0.00022486);(133.028487,0.00064486);(133.064247,0.00019771);(133.758816,0.00017176);(133.921968,0.00016989);(135.328577,0.00023005);(137.023454,0.00022481);(138.472529,0.00021584);(139.003324,0.00016047);(139.807622,0.00015696);(140.580903,0.00014147);(140.629362,0.00014228);(141.928366,0.00014902);(141.935102,0.00476795);(142.924007,0.00194984);(142.936889,0.00044805);(142.943052,0.03820866);(142.962915,0.01141524);(143.931858,0.0002066);(143.943183,0.00056743);(144.941445,0.00016689);(144.958212,0.20541836);(144.994759,0.0001542);(145.028598,0.00071295);(145.37942,0.00014028);(145.882263,0.00020542);(145.949247,0.00014271);(145.960774,0.0007948);(145.966557,0.00085269);(146.882768,0.0022603);(146.937537,0.03558493);(146.97398,0.00038048);(147.008486,0.00015398);(147.939389,0.00022699);(147.945376,0.03223499);(148.015892,0.0003995);(148.89396,0.00014301);(148.953213,0.01145315);(149.008556,0.00033375);(149.023791,0.00019646);(149.676922,0.00018011);(149.811241,0.00018577);(149.917806,0.00022664);(149.941977,0.00030788);(149.967719,0.00016005);(150.914831,0.0006619);(151.002677,0.00104821);(151.261303,0.00021628);(151.701728,0.0001798);(152.894009,0.00366665);(152.981951,0.00198619);(156.511088,0.00022072);(157.622852,0.00017999);(157.930115,0.00016033);(158.918952,0.00207642);(158.937946,0.00901258);(159.025231,0.00020615);(159.94563,0.00015781);(160.015958,0.0001667);(160.892161,0.00020377);(160.953279,0.00081705);(161.046771,0.00015216);(161.869918,0.00180922);(161.924682,0.01739835);(161.962079,0.00018677);(162.051279,0.00014309);(162.869594,0.0001392);(162.877534,0.00271927);(162.892138,0.00035847);(163.002591,0.00031631);(163.038061,0.00018779);(163.670051,0.00021461);(163.961002,0.0002111);(164.915317,0.00018134);(164.930276,0.00201934);(165.01881,0.00016715);(165.95592,0.02416293);(166.620284,0.00014578);(166.909761,0.01307125);(167.970037,0.00016517);(168.005835,0.00107367);(168.248426,0.00015779);(168.679205,0.00018279);(168.882008,0.00014117);(168.889034,0.00878342);(168.92552,0.00016296);(169.013949,0.00015644);(169.881875,0.00022009);(171.042684,0.00014404);(172.015712,0.00049389);(172.938709,0.00275829);(172.953375,0.00753446);(173.765845,0.0001405);(173.906643,0.00031467);(173.92272,0.0009555);(174.483342,0.00018115);(174.933077,0.11707354);(174.969159,0.0005824);(174.99168,0.00044222);(175.849392,0.00537412);(175.869677,0.00064538);(175.885604,0.00724539);(175.933237,0.00998736);(176.47275,0.00017176);(176.857154,0.00263767);(176.877805,0.00020017);(176.89348,0.00527585);(176.931227,0.00046827);(176.946479,0.00021676);(177.86477,0.01823046);(177.894849,0.00015515);(177.901761,0.00015013);(177.938666,0.00014035);(178.564561,0.00014117);(178.872621,0.02630576);(179.96913,0.00038482);(180.873383,0.00014524);(180.977087,0.00082955);(181.880742,0.00017343);(181.897657,0.0001413);(182.436319,0.00015361);(183.011363,0.01293097);(183.029007,0.00083084);(183.912786,0.00017638);(184.932195,0.00019351);(185.171541,0.00017645);(185.892051,0.00801584);(186.87783,0.00016538);(187.872767,0.00016965);(188.211752,0.00014833);(188.857639,0.00205789);(188.893447,0.00113575);(188.948456,0.01747904);(188.984866,0.00017213);(190.964071,0.00382343);(190.997786,0.0001462);(191.844367,0.00033231);(191.864776,0.00509585);(191.900862,0.00031604);(191.916932,0.0014806);(192.852094,0.00065649);(193.84365,0.0001568);(193.859844,0.06206183);(193.880411,0.00256361);(193.896367,0.01610813);(194.859151,0.000169);(194.868069,0.00624563);(194.983582,0.00017409);(194.993136,0.00101502);(195.044616,0.00028511);(195.875521,0.04327316);(196.705114,0.00015405);(197.027463,0.00033713);(197.956512,0.00014681);(198.021436,0.00014256);(199.006296,0.00036138);(199.039285,0.00016487);(199.850492,0.00293875);(200.858804,0.00060407);(201.018593,0.00016521);(201.851953,0.00018432);(201.865529,0.0001488);(202.853798,0.00042166);(203.867456,0.00078792);(203.882152,0.00015);(204.888813,0.00284303);(204.958695,0.0004919);(205.860735,0.00610459);(205.878212,0.00017202);(206.793855,0.00015005);(206.974739,0.00016448);(208.854538,0.00021509);(209.85514,0.00502231);(210.863045,0.00716912);(210.88316,0.00173148);(210.917211,0.00144487);(211.870835,0.00848238);(212.011486,0.00036731);(212.143496,0.00020627);(212.878389,0.03915211);(212.896305,0.00016998);(214.8744,0.00081018);(215.034696,0.00035841);(215.845666,0.00291774);(216.888409,0.00014001);(216.908659,0.000146);(217.896952,0.00035353);(218.90459,0.00404941);(219.390973,0.00014325);(219.875773,0.00061762);(220.273,0.00016635);(220.859114,0.00013823);(220.871975,0.0010047);(220.883815,0.00710498);(220.901203,0.00039819);(220.913825,0.00047599);(220.934131,0.00083958);(220.952056,0.00027263);(220.96186,0.00044843);(220.977362,0.00060375);(220.986499,0.00077337);(221.003388,0.0013756);(221.018287,0.0009239);(221.03452,0.00069105);(221.03878,0.00074405);(221.078975,0.00030905);(222.879862,0.0002346);(223.027942,0.00115111);(223.992817,0.00016579);(227.034533,0.0001729);(232.224701,0.00015532);(232.884283,0.00014446);(232.9421,0.00015044);(234.86336,0.00143347);(235.277187,0.00017137);(235.871254,0.0005965);(235.891804,0.00035344);(235.907309,0.00497208);(236.823313,0.00015489);(236.878911,0.00794661);(237.05539,0.00176701);(237.11875,0.00018979);(237.886798,0.01110625);(238.875786,0.00139114);(239.002245,0.00018811);(239.882452,0.00022003);(240.662004,0.00016368);(242.835413,0.00016405);(243.24398,0.00014791);(245.774904,0.00014079);(246.583144,0.00024379);(246.912933,0.00016748);(249.358383,0.00016526);(249.66622,0.00022197);(250.76949,0.00014587);(250.802951,0.00163102);(251.81122,0.00576901);(252.873773,0.00014259);(256.001154,0.00053361);(256.036953,0.00018779);(256.714417,0.00014209);(256.851356,0.001811);(258.830673,0.00123984);(260.915422,0.00095364);(261.779212,0.00017005);(263.774702,0.00502232);(263.798157,0.00018248);(265.810989,0.00151683);(265.82698,0.00076076);(265.879934,0.00022673);(266.818675,0.00805902);(266.833568,0.00031338);(267.806005,0.01866608);(268.81401,0.05080243);(268.942927,0.00027557);(269.768922,0.00022532);(269.81594,0.00037594);(269.840171,0.0001555);(270.81082,0.00074838);(271.024619,0.00165678);(271.836912,0.00018356);(275.157879,0.000144);(277.791186,0.00016748);(279.769916,0.00692365);(279.898543,0.00036266);(280.797982,0.0026861);(280.851529,0.00019933);(281.786991,0.00395566);(281.805744,0.02400305);(282.793087,0.03197228);(282.847053,0.00017837);(283.024743,0.0001717);(283.801127,0.13793232);(283.99634,0.00248956);(284.032314,0.00023512);(284.803391,0.00487523);(284.999308,0.0001727);(285.800904,0.00077523);(285.816987,0.00613742);(287.021152,0.00015141);(288.568204,0.00015717);(289.514303,0.0001904);(293.808924,0.00016107);(297.780014,0.00040218);(298.786001,0.00016958);(299.020373,0.00376127);(299.81749,0.00039209);(300.763327,0.00014916);(301.811768,0.00652884);(309.914701,0.00023134);(310.824975,0.00387112);(311.991396,0.00214005);(313.811461,0.00014214);(316.107315,0.00016059);(327.014482,0.0005239);(334.092851,0.00016331);(344.102759,0.00024551);(348.148133,0.00018634);(350.039243,0.00014598);(350.976165,0.00014235);(351.506759,0.0001556);(386.483754,0.00013935);(393.340633,0.00014499);(397.634648,0.00014619)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(51.940793,0.00088727);(55.055028,0.00087658);(55.935242,0.00258728);(57.070666,0.06423731);(57.935566,0.00165962);(61.011432,0.82597103);(62.010761,0.00203991);(62.014769,0.01145046);(62.01923,0.34061604);(62.929816,0.00146997);(63.007193,0.03319853);(63.022588,0.00197828);(63.027074,0.00117527);(63.998478,0.01994868);(64.015035,0.01033267);(67.054967,0.00067189);(69.070538,0.0025788);(70.958579,0.02544417);(71.086221,0.05789545);(72.937858,0.01582184);(79.021868,0.26495554);(80.025198,0.00104133);(81.017628,0.0054537);(81.070462,0.00142897);(83.086229,0.00086429);(85.101763,0.00164014);(88.969095,0.00153712);(89.940473,0.00061931);(90.948279,0.00627591);(91.054819,0.0005729);(93.070382,0.00108026);(95.086061,0.00152875);(97.10184,0.00080713);(98.975873,0.00680128);(102.948587,0.00067668);(105.033966,0.00056021);(109.101457,0.00069813);(114.948433,0.00430527);(116.98615,0.00273574);(120.940747,0.008266);(121.028619,0.00109393);(121.065066,0.02152359);(121.101377,0.00064553);(122.941077,0.01791322);(124.936507,0.00375387);(125.005724,0.00333124);(128.963898,0.0104954);(130.979525,0.00072608);(131.961342,0.00223856);(131.974294,0.00081142);(132.958317,0.0486452);(133.064848,0.00073972);(133.948465,0.00688925);(134.956224,0.02552216);(135.044212,0.08339333);(136.047566,0.00180941);(136.956667,0.00110942);(137.928103,0.00055896);(138.951378,0.00366897);(144.958702,0.0137484);(145.064837,0.00457105);(145.966674,0.00565864);(146.956778,0.0021692);(146.974863,0.05283002);(147.080625,0.0016773);(147.974857,0.00750599);(148.971926,0.54474236);(149.023456,0.44290172);(149.972299,0.00819213);(150.026752,0.03091216);(150.951124,0.0977356);(150.96819,0.05871091);(151.959119,0.00103503);(152.951626,0.04585317);(152.967086,0.0177122);(153.959416,0.05355129);(154.946946,0.01862412);(155.954692,0.01885331);(158.95358,0.02071977);(158.974313,0.00101542);(159.044153,0.00083442);(160.951702,0.00670017);(160.989985,0.00213125);(162.951314,0.01575094);(163.97706,0.00778014);(164.951545,0.0059292);(164.967149,0.00077198);(164.987193,0.00137776);(165.054638,0.00079664);(165.9384,0.0006171);(166.946933,0.00089151);(166.982518,0.09340991);(167.034044,0.00071178);(168.961717,0.03040208);(168.982908,0.02112225);(170.962185,0.00558468);(170.978268,0.00713606);(172.95762,0.00180078);(176.967103,0.00357138);(177.938256,0.02585269);(178.946276,0.0011865);(179.954242,0.00160504);(180.174645,0.00107186);(180.888061,0.00626329);(180.961627,0.01926823);(182.888767,0.00261472);(182.962162,0.01058305);(183.028705,0.0012805);(184.957459,0.00128492);(185.949377,0.00533259);(185.961513,0.01153422);(186.87839,0.01375433);(187.886243,0.00090536);(187.977156,0.00323806);(188.967159,0.00390378);(190.966348,0.04781687);(191.880888,0.00588199);(191.964556,0.01748127);(192.961737,0.85273911);(193.964181,0.03909648);(194.962387,0.04672);(194.977076,0.00093943);(195.948885,0.02427767);(196.957458,0.02513374);(197.04466,0.00201343);(198.021763,0.00096925);(199.891429,0.00560358);(203.881127,0.00069554);(204.888226,0.03028052);(204.962308,0.03747731);(204.983065,0.00061082);(205.04876,0.00071096);(205.963014,0.00141866);(205.987772,0.03851662);(206.867887,0.00256592);(206.888477,0.00404407);(206.977993,0.09947225);(206.987546,0.00189321);(207.875811,0.024429);(207.978121,0.00526524);(208.883749,0.01709533);(208.976742,0.02615671);(209.891565,0.01140009);(209.97537,0.0101955);(210.972251,0.46764772);(211.023843,0.00689256);(211.9747,0.02329262);(212.067935,0.00116192);(212.890301,0.00200401);(212.972989,0.10448469);(214.805444,0.00182541);(214.81714,0.0016196);(214.828663,0.00443316);(214.841315,0.00300649);(214.851709,0.00413649);(214.86266,0.00223604);(214.878069,0.00534516);(214.897673,0.00697785);(214.916899,0.00435851);(214.930928,0.00568005);(214.945659,0.00596031);(214.954397,0.01144894);(214.968012,0.04049473);(216.888787,0.00381457);(216.965301,0.00102988);(217.902219,0.00149186);(218.888395,0.0005897);(220.903425,0.06771479);(221.902105,0.01960553);(222.898656,0.54103293);(223.900112,0.02852745);(224.878775,0.00387748);(224.899055,0.10773308);(225.040391,0.00058521);(225.886366,0.03181656);(226.0473,0.00613419);(226.894512,0.0401686);(227.900784,0.00442215);(228.889329,0.02356533);(229.896227,0.09179501);(230.867959,0.00124303);(230.887994,0.00065044);(231.896629,0.01411039);(232.883654,0.03202179);(232.904265,0.002504);(233.891483,0.09589396);(234.021695,0.00539552);(234.899319,0.27728756);(235.899491,0.02791227);(236.898182,0.00526835);(237.906435,0.00282099);(237.921795,0.00523574);(238.893344,0.00395361);(238.914039,0.10050039);(238.967581,0.00217911);(239.886625,0.01050158);(239.901116,0.04568589);(239.912909,0.02095034);(240.896129,0.01957473);(240.909228,0.83370255);(241.070571,0.01616125);(241.881687,0.00073431);(241.910865,0.04829357);(242.889603,0.00635733);(242.9096,0.26310748);(243.910577,0.00575249);(244.884002,0.05384361);(244.90476,0.09796258);(245.891249,0.00567679);(245.908583,0.00255534);(246.883818,0.00150693);(246.900085,0.03021976);(247.906548,0.0622308);(248.878302,0.09591012);(248.899424,0.0180938);(249.884361,0.00298951);(249.907236,0.02153708);(250.880801,0.00142862);(250.894057,0.12748379);(251.894668,0.00469653);(251.901877,0.00326546);(252.893403,0.02409199);(252.909588,0.00819116);(253.902486,0.00493814);(253.917373,0.01153548);(254.890248,0.00353355);(254.902796,0.00091452);(255.89715,0.00227762);(257.895442,0.00342053);(258.89978,0.03543391);(259.899858,0.0010153);(260.899996,0.00480751);(261.906173,0.01143754);(262.894695,0.05934163);(262.913549,0.04281364);(263.900977,0.14984925);(264.909313,0.36401982);(265.085147,0.00059365);(265.911731,0.02362764);(265.991294,0.00124047);(266.12002,0.0030617);(266.889491,0.03020139);(266.909562,0.13360828);(266.924864,0.01008618);(267.889864,0.00054796);(267.910808,0.00278411);(268.885367,0.00847386);(268.905758,0.0662009);(269.080866,0.00153447);(269.891602,0.00266634);(269.907092,0.00098599);(270.901475,0.05339001);(271.900968,0.00212131);(272.900243,0.00796453);(273.886309,0.00234759);(273.906634,0.00727531);(274.893931,0.01966835);(274.914139,0.00531197);(275.810904,0.00061622);(275.901825,0.12482032);(276.909978,0.26754804);(277.914891,0.02501184);(278.818262,0.0008016);(278.908513,0.00339465);(278.925145,0.00829519);(279.825836,0.0018977);(279.898315,0.01440325);(279.916275,0.12926255);(280.813495,0.0137383);(280.903696,0.01217362);(280.923641,0.02082298);(281.080909,0.00498695);(281.821681,0.0015737);(281.911785,1.0);(282.901876,0.02729019);(282.919404,0.27164199);(283.09639,0.00054868);(283.89303,0.00340414);(283.912621,0.04324084);(284.067885,0.00311889);(284.130896,0.00095297);(284.902275,0.01734088);(284.919978,0.14265421);(285.815788,0.00160339);(285.906968,0.00706192);(285.922943,0.0022463);(286.894712,0.05691979);(286.916234,0.06006963);(287.895089,0.00701812);(287.916782,0.00055585);(288.893716,0.00085411);(288.911422,0.02738962);(289.917535,0.00100282);(290.91019,0.00226897);(290.925767,0.00628647);(291.806047,0.00116699);(291.89671,0.02758878);(292.813486,0.0013393);(292.902739,0.00120306);(293.080577,0.00102528);(293.819216,0.00068127);(293.912905,0.00109639);(293.932668,0.00114565);(294.829431,0.00151714);(294.902633,0.00710334);(295.096269,0.00085072);(295.821587,0.00070132);(295.928017,0.08274452);(296.067619,0.00652847);(296.929573,0.00635228);(297.075071,0.00629762);(297.816148,0.01275829);(297.835942,0.00362347);(297.907526,0.00184437);(297.928239,0.00416306);(298.082497,0.00062198);(299.055321,0.00268315);(299.09097,0.00434663);(300.876169,0.00431492);(300.910704,0.00665241);(301.825359,0.00113344);(302.832649,0.00099195);(302.875288,0.0006129);(302.91135,0.00141442);(304.83199,0.00071239);(304.905401,0.01469541);(304.925052,0.00828463);(305.821031,0.00141269);(305.922911,0.00140407);(306.829201,0.00283);(306.920023,0.09432963);(306.939943,0.00245217);(307.921883,0.00341503);(308.808896,0.00129731);(308.919724,0.00572337);(308.936668,0.0581641);(309.07572,0.00800165);(309.816011,0.00136958);(309.936919,0.01010193);(310.08152,0.00103564);(310.109963,0.0046291);(310.823629,0.00206818);(310.843961,0.00339536);(310.915179,0.00243084);(311.054644,0.00143885);(311.091087,0.02084054);(311.831263,0.0094821);(312.062333,0.00142546);(312.095695,0.00169947);(312.820477,0.00110083);(312.839143,0.04646436);(313.070522,0.00354435);(313.10687,0.00297265);(314.077428,0.00251573);(314.839313,0.01518129);(315.826225,0.00069951);(316.814447,0.00118809);(316.835714,0.00688849);(316.904507,0.00755807);(317.821557,0.01418424);(317.840953,0.00592488);(318.829043,0.01845894);(318.920125,0.01385355);(319.836294,0.08705464);(320.830706,0.00373357);(321.817551,0.00061126);(321.836536,0.0358893);(322.82348,0.03500072);(322.914633,0.00977902);(323.091198,0.00135577);(323.831868,0.04382475);(324.837076,0.00088505);(324.93022,0.01022886);(325.070727,0.00101816);(325.831311,0.00791637);(326.817717,0.00384477);(326.836594,0.0008517);(326.947432,0.00114422);(327.086032,0.05663492);(327.826258,0.0353871);(328.090708,0.00962909);(328.120594,0.00298991);(328.833748,0.02517389);(329.065828,0.01362219);(329.101521,0.01438094);(329.82523,0.02002312);(330.072032,0.00259629);(330.83294,0.01960367);(330.920894,0.00143567);(331.82182,0.00201659);(332.829319,0.00229965);(332.935943,0.0021193);(333.815716,0.00610496);(333.836276,0.0010384);(334.823743,0.00422498);(334.844025,0.01916867);(335.830623,0.02726128);(336.838876,0.13371529);(337.846735,0.05676361);(338.818631,0.00083087);(338.839862,0.01685095);(339.086489,0.01051105);(339.825983,0.00327668);(339.847181,0.01219078);(340.835665,0.00350348);(341.010638,0.01391059);(341.065377,0.01160315);(341.101669,0.01378317);(341.844403,0.00483276);(342.013774,0.00133779);(342.072102,0.00249669);(342.105546,0.0006102);(342.832337,0.00981841);(343.080867,0.00510911);(343.11753,0.01361424);(344.121603,0.0007873);(344.828574,0.03378059);(345.096497,0.00227561);(345.832011,0.00070369);(346.824412,0.00205557);(347.834903,0.00617285);(348.840273,0.01046448);(348.952619,0.00091157);(349.847989,0.00326515);(350.946833,0.05675916);(351.825542,0.00131825);(351.846928,0.00936539);(351.947747,0.01177038);(352.948082,0.00059576);(353.842024,0.08525283);(354.848287,0.01870601);(354.989851,0.00465501);(355.080997,0.01935255);(355.117588,0.00570326);(355.843421,0.00554056);(356.085385,0.00122725);(356.84949,0.00816243);(357.096676,0.05560614);(358.013362,0.00161216);(358.068412,0.00497534);(358.100217,0.00616369);(358.822686,0.00184194);(358.844071,0.05217802);(358.98455,0.02460556);(359.021169,0.01409551);(359.075709,0.05673424);(359.843102,0.00443711);(359.988679,0.00275565);(360.02478,0.00101433);(360.079345,0.00445066);(360.838968,0.27406205);(361.840892,0.03583783);(362.839524,0.0582739);(363.825258,0.00094495);(363.844101,0.00057301);(364.834664,0.03743965);(365.062786,0.03375937);(365.839916,0.0063043);(366.066694,0.00220401);(366.832742,0.00080037);(366.850455,0.00073931);(367.839759,0.0035347);(367.860364,0.0018495);(369.096542,0.00266026);(369.836608,0.08085967);(370.039341,0.00055877);(370.840014,0.0080926);(371.836265,0.04827296);(372.120094,0.00083924);(372.839122,0.00595356);(373.091459,0.16526796);(373.832647,0.01668633);(374.094972,0.03359913);(374.855668,0.00132292);(375.09833,0.00079002);(375.828423,0.00531082);(376.832281,0.00441251);(376.855348,0.00638506);(376.995127,0.00590704);(377.852875,0.00366797);(378.849738,0.07704095);(379.852275,0.00839873);(380.849814,0.05173336);(381.836445,0.01031864);(382.845898,0.02455792);(383.851174,0.00146495);(384.840111,0.00609116);(384.862216,0.00344116);(387.847239,0.01432024);(388.833761,0.00885575);(389.083278,0.00084465);(389.847257,0.01223717);(390.849611,0.00364332);(391.84381,0.00208837);(400.834617,0.00869255);(401.83588,0.00059125);(402.8505,0.00453646);(404.849378,0.00547428);(406.844602,0.0658638);(407.846292,0.00711365)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(51.940763,0.02638332);(52.940878,0.00092699);(53.03932,0.00084076);(54.938268,0.00198181);(55.018599,0.00039479);(55.055004,0.00199619);(55.935197,0.04118763);(56.94298,0.0033594);(57.070648,0.01618486);(57.935577,0.04437451);(59.930991,0.01632234);(61.01143,0.45605422);(62.010783,0.00107727);(62.01477,0.006111);(62.019229,0.1638839);(62.929806,0.01089046);(63.007175,0.01914973);(63.022508,0.0013164);(63.027027,0.01039594);(63.99848,0.02200034);(64.014989,0.00544002);(64.927968,0.00409948);(65.039295,0.004525);(67.054923,0.00115347);(67.935575,0.00097574);(68.943397,0.00670758);(68.963228,0.00360176);(68.997822,0.00104367);(69.034178,0.00076914);(69.070532,0.00136685);(69.96168,0.00163399);(70.942488,0.00162871);(70.958562,0.12160852);(71.086187,0.00514629);(71.929968,0.00469084);(72.937815,0.08549906);(73.945715,0.00046316);(75.945992,0.00558426);(77.941421,0.0004895);(79.021877,0.08595582);(79.05484,0.00186582);(81.017582,0.0010368);(81.034152,0.00048812);(81.070463,0.00138039);(83.930409,0.00076426);(84.938186,0.00399144);(85.945978,0.00145178);(87.907046,0.003474);(88.914855,0.00089923);(88.952958,0.0004203);(88.969015,0.02747403);(89.940378,0.00614341);(90.94827,0.04310359);(91.054745,0.00337066);(93.034019,0.00044651);(93.07043,0.00060482);(93.956404,0.00175123);(95.049584,0.00398567);(95.085968,0.00067012);(95.951966,0.00047438);(97.011086,0.00039413);(98.975787,0.00914764);(102.915118,0.00109735);(102.930377,0.00210378);(102.948429,0.0098384);(104.930724,0.00142864);(104.963763,0.00190441);(105.033882,0.00074243);(105.045042,0.00043646);(105.917431,0.00827688);(106.925808,0.00050062);(107.950834,0.0015336);(108.958625,0.00255107);(114.94834,0.00075131);(115.054616,0.00050177);(116.963915,0.00059203);(116.986145,0.00348193);(117.917245,0.00298074);(118.925129,0.00566325);(118.94315,0.00115251);(119.95117,0.00052786);(120.940748,0.03592357);(121.028642,0.02159794);(121.039879,0.00139434);(121.06504,0.01280742);(122.941133,0.0242895);(124.936479,0.00890708);(125.005702,0.00108349);(125.0599,0.00186313);(127.039086,0.00393073);(128.963928,0.02481713);(129.963802,0.00048367);(130.963008,0.00356936);(130.979356,0.00116218);(131.961457,0.00950041);(131.974382,0.000803);(132.056972,0.0008708);(132.958366,0.11037209);(133.064887,0.0024271);(133.948423,0.02164543);(133.959349,0.00049559);(134.956239,0.02308394);(134.996531,0.00047486);(135.044121,0.05227033);(135.055325,0.00085626);(135.927608,0.0100164);(135.966488,0.00115451);(136.047322,0.00189311);(136.935588,0.00155218);(136.956312,0.00046593);(137.023283,0.0006514);(137.92804,0.00806846);(138.951193,0.01511792);(139.923369,0.00142115);(143.929954,0.00073934);(144.958718,0.01732826);(144.980059,0.0011103);(145.064783,0.00175334);(145.875529,0.00058826);(145.960037,0.00040244);(145.966613,0.01340205);(146.956759,0.00121453);(146.974509,0.09207539);(147.974673,0.01346998);(148.971936,0.37040962);(149.02336,0.12679979);(149.961105,0.00985494);(149.97184,0.01544609);(150.026654,0.00740662);(150.951146,0.03664808);(150.968742,0.12493473);(151.95887,0.01484078);(151.97029,0.00110419);(152.951588,0.02959239);(152.967233,0.01940164);(153.069653,0.00054554);(153.938208,0.0028304);(153.95938,0.06927402);(153.992342,0.0004862);(154.946925,0.01105265);(154.964502,0.00185065);(155.033651,0.00051509);(155.954764,0.02869079);(156.945825,0.00046163);(157.951882,0.00123292);(158.953648,0.00902763);(159.044135,0.0008575);(160.951765,0.00375558);(162.877674,0.00187729);(162.951275,0.00046186);(163.075355,0.00339595);(163.977091,0.01683656);(164.967153,0.00064373);(164.986947,0.00084803);(165.018173,0.00049988);(165.054635,0.00588897);(165.885796,0.00143912);(165.938214,0.00747218);(166.982446,0.0658619);(167.886184,0.00070068);(167.971626,0.00230452);(168.961648,0.00703252);(168.9828,0.00325403);(169.013118,0.00835169);(169.064693,0.00099159);(169.881484,0.00065042);(170.962033,0.0064938);(170.978453,0.00131402);(172.957719,0.00147151);(177.938226,0.02990694);(178.892828,0.01811388);(178.908568,0.00119293);(179.891462,0.0011102);(179.954527,0.00052046);(180.888149,0.15850143);(180.908848,0.00387843);(180.961742,0.00064751);(181.064815,0.00082137);(181.888578,0.00415902);(182.888614,0.0227792);(182.904945,0.00044629);(183.02889,0.02597086);(183.896465,0.00077541);(183.948748,0.0006908);(184.883954,0.00699956);(185.059747,0.00116168);(185.94923,0.01192935);(186.877992,0.00600596);(186.935346,0.00038248);(187.944671,0.00304073);(188.857289,0.00048904);(188.967869,0.00047067);(189.885951,0.00055526);(190.873049,0.0024121);(190.966477,0.00113846);(191.880761,0.02859343);(192.881166,0.00043138);(192.888916,0.01179276);(192.961721,0.06481052);(193.880142,0.00058435);(193.964139,0.00052335);(195.080471,0.0005273);(195.8755,0.00251229);(195.948852,0.03211711);(196.903359,0.00041672);(197.008122,0.00414763);(197.044374,0.00231178);(197.059753,0.00118316);(197.875686,0.01405971);(197.890907,0.01185953);(198.067634,0.00147965);(198.898895,0.02542304);(199.871107,0.00267281);(199.891158,0.00452542);(200.899199,0.00185471);(201.88674,0.00069127);(202.873451,0.00050275);(202.89367,0.00255859);(203.881391,0.00499858);(204.888319,0.03412113);(205.880529,0.00080134);(205.987748,0.0040486);(206.867973,0.04087988);(206.888513,0.00478265);(206.977879,0.01233315);(207.876199,0.04873807);(207.896413,0.00112139);(208.884104,0.03430244);(208.975818,0.00048888);(209.875399,0.00492269);(209.891557,0.04057009);(210.8998,0.01466689);(210.972277,0.03582958);(211.02374,0.01429411);(211.075452,0.00286877);(211.871732,0.00078177);(211.890804,0.00086357);(212.083116,0.00169626);(212.878846,0.00042635);(212.972383,0.00255407);(213.05465,0.00309674);(213.885999,0.00439241);(214.893725,0.00345436);(215.018814,0.00111062);(215.070201,0.00128985);(215.886204,0.00162554);(215.901568,0.00635087);(216.888916,0.00219724);(217.901878,0.00156236);(218.868461,0.00628411);(218.906105,0.00094612);(219.876677,0.00097209);(220.88436,0.00945098);(220.903298,0.083652);(220.919668,0.0004004);(220.994203,0.00063118);(221.012722,0.00055847);(221.024012,0.00043103);(221.035708,0.00091649);(221.891307,0.00082334);(221.902026,0.02522206);(222.898704,0.65486587);(223.900202,0.03818885);(224.083199,0.00081631);(224.878935,0.04356377);(224.898807,0.07927522);(225.054846,0.00049316);(225.886715,0.06237508);(225.898461,0.00153884);(226.062133,0.000839);(226.894818,0.03448736);(227.070184,0.0009233);(227.900189,0.00079704);(228.891221,0.00687207);(229.034193,0.00174881);(229.896145,0.03588473);(230.86821,0.00090841);(231.065036,0.00057043);(231.896578,0.00271821);(232.883623,0.0083915);(232.9045,0.00214989);(233.8915,0.03055305);(234.899253,0.13302627);(235.898984,0.0120321);(236.898105,0.00161185);(236.918043,0.00121672);(237.886546,0.00079107);(237.906104,0.00171968);(237.921531,0.00144149);(238.893303,0.0036507);(238.914047,0.12645324);(239.070059,0.00045238);(239.886402,0.01348842);(239.90091,0.03336441);(239.912881,0.02848483);(240.077983,0.00063746);(240.909271,1.0);(241.049752,0.00041199);(241.881753,0.00276522);(241.910595,0.06429109);(242.909591,0.19858967);(243.065324,0.0005708);(243.910359,0.00566562);(244.883973,0.02177268);(244.904869,0.07001036);(245.88368,0.00078434);(245.907237,0.00166115);(246.88336,0.00126193);(246.904086,0.01696838);(247.9064,0.02522788);(248.878357,0.06502068);(248.900799,0.00498892);(249.878913,0.00365152);(249.907111,0.00323353);(250.879599,0.00053568);(250.894095,0.02849232);(252.89432,0.00049114);(252.909611,0.00310063);(253.085356,0.00044815);(253.902645,0.00189578);(253.917578,0.01471455);(254.889005,0.00040235);(255.064833,0.00608104);(255.896786,0.00209133);(255.917679,0.00070605);(256.072207,0.00122571);(257.896567,0.00889936);(257.911972,0.00043376);(258.052267,0.00144178);(258.86582,0.00051717);(259.059805,0.00093074);(259.892354,0.00125011);(260.899743,0.00061359);(262.894702,0.02521443);(262.911801,0.00064992);(263.900969,0.00380737);(263.925359,0.00058228);(264.909292,0.01478798);(266.889088,0.02399533);(266.908893,0.00157463);(266.925463,0.00771221);(267.064982,0.00117283);(267.889175,0.00067968);(268.072759,0.00398349);(268.905036,0.00081953);(269.044467,0.0015536);(269.080553,0.00177129);(269.820365,0.0036319);(271.060331,0.00322878);(272.828337,0.00049389);(275.811256,0.00215336);(275.90213,0.00309092);(276.81883,0.00488924);(276.909659,0.00149853);(277.825738,0.00046513);(277.917222,0.00041016);(278.818287,0.00215093);(279.805108,0.00046811);(279.825963,0.00383793);(279.896859,0.00249591);(279.916348,0.00304758);(280.81317,0.03023852);(281.080424,0.0019621);(281.82105,0.01124853);(281.896709,0.00398154);(281.912039,0.04511422);(282.812728,0.00104063);(282.919315,0.01037736);(283.059907,0.00162924);(283.82097,0.00221143);(284.067626,0.00733613);(284.80771,0.00869193);(284.920011,0.00107287);(285.074071,0.00169167);(285.815854,0.01425298);(285.834816,0.00073585);(286.822745,0.00115274);(287.814825,0.0088711);(287.831473,0.01865853);(288.83921,0.0022714);(289.812497,0.00150764);(289.831533,0.00232801);(290.839388,0.00167948);(291.806288,0.00497144);(291.896919,0.00051597);(292.813318,0.00944053);(294.81207,0.00069123);(294.829015,0.00422892);(295.059989,0.00295563);(295.820178,0.00088534);(295.83756,0.001569);(295.857127,0.00108507);(295.928178,0.00437654);(296.067722,0.00619075);(296.808421,0.0147094);(296.82731,0.00092867);(297.074452,0.00212854);(297.816327,0.02455537);(297.836046,0.0039672);(297.992388,0.00112442);(299.054879,0.00802683);(299.815867,0.00431513);(299.834319,0.00159799);(300.822665,0.00377541);(300.875561,0.00117618);(301.070604,0.00443144);(301.811018,0.00314522);(302.818255,0.02775281);(304.81762,0.00502117);(305.82396,0.00142192);(306.812794,0.00063568);(306.829723,0.00245296);(308.808527,0.00546819);(308.936303,0.00272264);(309.075822,0.00067857);(309.81642,0.00491547);(310.824007,0.0022252);(310.843624,0.00766506);(311.054911,0.00112448);(311.091065,0.00080749);(311.814592,0.00057167);(311.831072,0.00610072);(311.971609,0.00088006);(312.062635,0.00116084);(312.820785,0.00330069);(312.838983,0.06377809);(313.070416,0.00845153);(313.811098,0.00296935);(313.840251,0.00218937);(314.075463,0.00073154);(314.819441,0.0008358);(314.839135,0.01391314);(315.049738,0.00091233);(316.002903,0.00136658);(316.814585,0.00132038);(316.836138,0.00459697);(317.821824,0.00234437);(317.841411,0.00284282);(318.830144,0.00408028);(319.836515,0.03505255);(320.834475,0.00106653);(321.836545,0.00544085);(322.823858,0.01097048);(323.83164,0.01445776);(324.823146,0.00070186);(324.839627,0.00041785);(325.830609,0.00606483);(326.817933,0.01693165);(327.085992,0.00155239);(327.826014,0.05176239);(328.833324,0.00667001);(329.06551,0.00349181);(329.825115,0.01399368);(330.072242,0.00195591);(330.832607,0.00259853);(331.82276,0.00494148);(332.828869,0.0007195);(332.849964,0.00066652);(333.817298,0.00270419);(334.823946,0.0027006);(334.845706,0.00049499);(335.851569,0.00112883);(336.83925,0.00828679);(337.846912,0.02067246);(338.818643,0.00187948);(339.826054,0.00038182);(339.847802,0.0006434);(341.010434,0.00157243);(342.833015,0.00921706);(343.83412,0.00039591);(344.828707,0.06148146);(345.832675,0.00293494);(346.827971,0.00132965);(347.835497,0.0061031);(349.832559,0.00068669);(351.826511,0.00077192);(353.842001,0.00066774);(358.984651,0.00698655);(359.021462,0.00163542);(360.839193,0.00397809);(364.834755,0.00121158);(365.841957,0.00197135);(367.840832,0.0028336);(369.746087,0.00134192);(369.836773,0.03161249);(370.838799,0.00149013);(371.836933,0.00662661);(373.091674,0.00130735);(373.832651,0.00117644);(376.995348,0.00182015);(383.724808,0.00120219);(383.852426,0.00039824);(385.739138,0.00070482);(387.756442,0.0019157);(387.847597,0.00445328);(389.755052,0.00106445);(389.847778,0.00078931);(391.752024,0.00233737);(392.758875,0.00097213);(406.845058,0.00186064)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(373.09,0.064);(388.114,0.038);(403.137,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(327.086,0.031);(342.109,0.027);(355.08,0.054);(358.069,0.012);(359.109,0.012);(373.091,0.745);(388.115,0.255);(403.138,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(127.039,0.038);(137.026,0.014);(162.066,0.014);(163.074,0.059);(165.047,0.075);(168.005,0.022);(169.012,0.018);(183.028,0.197);(193.012,0.03);(211.023,0.189);(231.065,0.016);(244.072,0.025);(257.079,0.013);(258.052,0.052);(259.06,0.073);(273.074,0.011);(274.082,0.015);(284.068,0.021);(285.073,0.01);(286.083,0.01);(299.089,0.044);(301.07,0.181);(311.057,0.013);(312.063,0.055);(313.069,0.087);(315.051,0.076);(325.045,0.014);(327.086,0.177);(329.067,0.09);(330.073,0.2);(339.051,0.014);(343.056,0.038);(344.075,0.013);(345.096,0.088);(353.063,0.012);(355.081,0.064);(357.062,0.051);(358.068,0.166);(373.091,1.0);(387.106,0.012)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(51.0234751,0.0000947442);(57.03403978,0.1154930028);(59.04968984,0.0075942537);(81.03403978,0.0082470773);(83.04968984,0.0032223358);(87.04460446,0.0012563876);(113.0602545,0.1491901923);(125.023869,0.0000434498);(163.0759046,0.0004231314);(181.0500838,0.0032919521);(193.0864693,0.0190577193);(211.0606485,0.5874578966);(259.0606485,0.0000902263);(261.0762985,0.0012413116);(287.0919486,0.0001934243);(287.0919486,0.0007039163);(291.0868632,0.1382947509);(315.0868632,0.053457721);(317.1025133,0.0241362017);(317.1025133,0.02611703);(317.1025133,0.0006384148);(331.0817778,0.0009527323);(343.1181633,0.0314269974);(343.1181633,0.0031937657);(345.0974279,0.3328439338);(347.1130779,0.2169802436);(347.1130779,0.159984082);(373.128728,2.761179019);(373.128728,1.255774411);(377.1236426,0.2996329806);(403.1392927,93.79778669)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(27.0234751,0.0045603583);(51.0234751,0.0377962328);(57.03403978,0.3234606553);(59.04968984,0.2048882473);(81.03403978,0.0611950723);(83.04968984,0.0041746573);(87.04460446,0.0022190699);(113.0602545,0.1125756573);(163.0759046,0.0049853788);(181.0500838,0.0305106497);(193.0864693,0.3820743112);(211.0606485,1.464338964);(259.0606485,0.0040944607);(261.0762985,0.017757719);(287.0919486,0.0186634505);(287.0919486,0.0122687905);(291.0868632,0.5599668691);(315.0868632,0.2888773742);(317.1025133,0.3221319954);(317.1025133,0.5026704699);(317.1025133,0.0083963805);(331.0817778,0.003793425);(343.1181633,0.3667305631);(343.1181633,0.0320042244);(345.0974279,1.323719418);(347.1130779,0.3439169703);(347.1130779,0.4180061662);(373.128728,5.683485216);(373.128728,2.595295247);(377.1236426,0.5587236876);(403.1392927,84.30671832)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,1.477780696);(57.03403978,1.078654874);(81.03403978,2.716832008);(83.04968984,0.7708164864);(87.04460446,0.2757416571);(113.0602545,1.174917749);(125.023869,1.982010359);(163.0759046,1.693122688);(181.0500838,12.19508146);(193.0864693,0.6275593523);(211.0606485,19.05877477);(231.0657338,0.3695494687);(259.0606485,0.3430619167);(261.0762985,1.337119431);(287.0919486,2.901329315);(287.0919486,3.581983818);(291.0868632,2.040675384);(315.0868632,5.20762315);(317.1025133,1.811034942);(317.1025133,4.612880972);(317.1025133,0.3985536059);(331.0817778,0.6328524297);(343.1181633,6.92550491);(343.1181633,0.8804692722);(345.0974279,2.076844933);(347.1130779,2.745907116);(347.1130779,2.422670171);(373.128728,9.691055184);(373.128728,5.558280433);(377.1236426,1.057459114);(403.1392927,2.353852335)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.0003590139);(41.00273965,0.0005849062);(55.01838972,0.1201729828);(57.03403978,0.0308046365);(79.01838972,0.0008039086);(85.0289544,0.0014019669);(111.0446045,0.056226283);(123.008219,0.0001881324);(135.0446045,0.0004602526);(161.0602545,0.0085782876);(165.0551691,0.0023712157);(179.0344337,0.0015651724);(191.0708192,0.7760361584);(209.0449984,0.4822662385);(265.0712131,0.0003827529);(285.0762985,0.001861385);(289.0712131,0.000388122);(289.0712131,0.005671997);(313.0712131,0.0034096901);(313.0712131,0.0002583359);(315.0868632,0.1124892072);(315.0868632,0.0205361113);(329.0661278,0.0006064574);(341.1025133,0.0658791956);(341.1025133,0.0133930677);(343.0817778,0.0169315274);(345.0974279,0.1303196806);(371.1130779,1.511586503);(371.1130779,0.8826403978);(375.1079926,0.6561659292);(401.1236426,95.09566048)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(31.01838972,0.0881179703);(55.01838972,0.2618960893);(57.03403978,0.2803676396);(79.01838972,0.0291058443);(85.0289544,0.0670724587);(111.0446045,0.4961656678);(133.0289544,0.1291013072);(135.0446045,0.1474657203);(161.0602545,0.1747032582);(179.0344337,0.042227934);(191.0708192,2.88910715);(209.0449984,1.40890099);(257.0449984,0.1336636212);(259.0606485,0.1063499855);(265.0712131,0.063711969);(285.0762985,0.1551516178);(289.0712131,0.3102436736);(313.0712131,1.697007494);(313.0712131,0.1776801198);(315.0868632,0.6505289693);(315.0868632,2.898136276);(329.0661278,0.6362141165);(329.0661278,0.1945566516);(341.1025133,1.664603742);(341.1025133,0.2075131137);(343.0817778,14.01469977);(345.0974279,6.654761846);(371.1130779,7.205840806);(371.1130779,3.496181494);(375.1079926,1.194313804);(401.1236426,52.5246089)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(55.01838972,4.372455397);(79.01838972,2.309695715);(105.0340398,1.706509951);(111.0446045,0.6189594901);(123.008219,2.331626757);(133.0289544,1.810486444);(135.0446045,4.579384729);(161.0602545,4.771733229);(165.0551691,1.044362947);(179.0344337,0.6731079169);(191.0708192,14.58277081);(203.0344337,1.283536717);(209.0449984,2.239919882);(229.0500838,2.546161701);(257.0449984,5.491189557);(259.0606485,10.69849613);(265.0712131,0.5505359744);(285.0762985,8.141377341);(289.0712131,0.7931595613);(289.0712131,2.37334176);(313.0712131,4.406133964);(313.0712131,1.340243081);(315.0868632,4.368697129);(315.0868632,3.968177158);(329.0661278,1.841109813);(329.0661278,0.5568917166);(341.1025133,3.969910578);(343.0817778,1.74643519);(345.0974279,1.838039578);(371.1130779,2.200590664);(371.1130779,0.8449591166)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(209.04554,5.0);(401.12418,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(135.04514,5.0);(209.04554,39.0);(327.0874,17.0);(373.12927,4.0);(401.12418,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(65.00328,71.0);(122.03732,71.0);(135.04514,39.0);(137.06079,57.0);(157.06588,54.0);(185.06079,61.0);(191.07136,57.0);(195.06627,79.0);(209.04554,100.0);(269.08192,50.0);(327.0874,68.0);(357.09797,39.0);(401.12418,50.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(403.13874,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(211.06009,3.0);(257.08083,3.0);(359.11252,3.0);(403.13874,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(68.9971,32.0);(197.08083,26.0);(197.08083,26.0);(211.06009,100.0);(239.0914,25.0);(359.11252,20.0);(403.13874,52.0)

Food Sources

No food source information available

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

Back

Showing entry for 3-Methoxysinensetin