PhytoHub: Showing entry for Cynaropicrin

Cynaropicrin

Identification

PhytoHub ID

PHUB001924

Name

Cynaropicrin

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

35730-78-0

Average Mass

346.379

Monoisotopic Mass

346.141638428

Chemical Formula

C₁₉H₂₂O₆

IUPAC Name

(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydroazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate

InChI Key

KHSCYOFDKADJDJ-NQLMQOPMSA-N

InChI Identifier

InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1

SMILES

[H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@H](CC2=C)OC(=O)C(=C)CO

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.60e+00 g/l
LogS (ALOGPS): -2.34
LogP (ALOGPS): 0.54
Hydrogen Acceptors: 4
Hydrogen Donors: 2
Rotatable Bond Count: 4
Polar Surface Area: 93.06000000000002
Refractivity: 88.98859999999999
Polarizability: 35.53983495260057
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.844123071929464
pKa (strongest acidic): 14.42236521753816
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Prenol lipids
Super-class: Lipids and lipid-like molecules
Sub-class: Terpene lactones
Direct Parent Name: Guaianolides and derivatives
Alternative Parent Names: ["Beta hydroxy acids and derivatives", "Carbonyl compounds", "Cyclic alcohols and derivatives", "Dicarboxylic acids and derivatives", "Enoate esters", "Gamma butyrolactones", "Guaianes", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Primary alcohols", "Secondary alcohols", "Tetrahydrofurans"]
External Descriptor Annotations: ["Guaianolide", "sesquiterpene lactone"]
Substituent Names: ["Alcohol", "Aliphatic heteropolycyclic compound", "Alpha,beta-unsaturated carboxylic ester", "Beta-hydroxy acid", "Carbonyl group", "Carboxylic acid derivative", "Carboxylic acid ester", "Cyclic alcohol", "Dicarboxylic acid or derivatives", "Enoate ester", "Gamma butyrolactone", "Guaiane sesquiterpenoid", "Guaianolide-skeleton", "Hydrocarbon derivative", "Hydroxy acid", "Lactone", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Primary alcohol", "Secondary alcohol", "Sesquiterpenoid", "Tetrahydrofuran"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(57.03324,0.03206466);(58.994786,0.00483708);(59.0125,0.20551002);(60.015933,0.00159008);(60.974015,0.05395414);(61.969318,0.00608747);(61.987017,0.1096006);(63.943452,0.00615346);(63.961103,0.0701929);(64.951195,0.04789968);(64.968922,0.00074412);(65.002053,0.00171394);(65.956925,0.00192864);(66.947002,0.00413117);(69.033264,0.00850317);(71.012527,0.01065783);(72.991795,0.01466383);(73.028172,0.010045);(74.023457,0.01428412);(74.960575,0.00124582);(74.989705,0.00429542);(75.00744,0.01020909);(76.951207,0.06588974);(76.968889,0.00154053);(77.005326,0.00081113);(78.946995,0.00454662);(78.957733,0.01274872);(78.966877,0.05874899);(78.984627,0.34635335);(79.053979,0.00125462);(79.938221,0.00067017);(79.956063,0.82503457);(79.96935,0.00089461);(79.983938,0.00154435);(79.988004,0.00335452);(80.963885,1.0);(80.977503,0.00096093);(80.980416,0.02105388);(81.033254,0.00225325);(81.951842,0.04021458);(81.960364,0.00380823);(81.963232,0.0096455);(82.959672,0.05304034);(82.968066,0.00593);(83.01252,0.0018383);(83.048927,0.02677462);(85.028225,0.01420087);(87.007459,0.00793202);(87.043897,0.00119961);(87.923976,0.00159719);(89.023135,0.01261248);(90.966877,0.00700887);(90.984574,0.0108394);(92.926752,0.00576235);(92.946193,0.05396958);(92.982621,0.02338957);(93.000313,0.01519902);(93.033345,0.00614153);(93.995545,0.00331546);(94.923757,0.00176045);(94.941962,0.00663903);(94.979564,0.79031119);(95.048986,0.00496565);(95.915518,0.02240407);(95.933262,0.00178856);(95.951011,0.00216272);(95.979081,0.00288936);(95.982939,0.00508778);(96.923379,0.00958207);(96.941047,0.00351002);(96.958874,0.25332568);(96.97538,0.02541362);(96.983657,0.0008275);(97.028278,0.00343063);(97.064606,0.00316279);(98.954659,0.01011935);(99.007501,0.00826723);(99.04387,0.00634779);(99.924577,0.00342747);(100.986807,0.00960844);(101.023175,0.19363985);(101.059578,0.00216393);(101.979644,0.01295349);(101.994591,0.00161008);(102.026521,0.00669037);(102.945959,0.00352763);(102.984601,0.00219028);(103.002482,0.023067);(103.919034,0.02668556);(104.034043,0.00259873);(104.926836,0.01289697);(105.069904,0.00110985);(106.961988,0.00113115);(106.979583,0.00652423);(107.015994,0.00096858);(107.049047,0.0035981);(108.9234,0.04993945);(108.977562,0.08568413);(108.995322,0.00948899);(109.028332,0.00329242);(109.064669,0.00671486);(109.957775,0.00097315);(109.980866,0.00067825);(110.919147,0.00296736);(110.939166,0.02610906);(110.956838,0.16371246);(110.97455,0.30170939);(111.007603,0.00632114);(111.043994,0.00608405);(111.08032,0.00202067);(111.928244,0.06465476);(111.946028,0.0014777);(111.956149,0.00271819);(112.936099,0.5427593);(112.952618,0.02154715);(112.970285,0.0012722);(113.02322,0.00310663);(113.92403,0.00591327);(113.935544,0.0041594);(114.931938,0.03246396);(115.019724,0.000963);(115.919564,0.00180531);(117.018341,0.000904);(117.033412,0.0045053);(117.946435,0.00091785);(118.936417,0.00137856);(118.940863,0.01234807);(119.049011,0.0008048);(119.085475,0.00192017);(119.945816,0.00529434);(121.028387,0.01860405);(121.06474,0.00729798);(121.942554,0.00073241);(121.99059,0.00187707);(122.956826,0.00123722);(122.974517,0.00128142);(123.007464,0.00140264);(123.043892,0.00373994);(123.080412,0.00146047);(123.945281,0.00228258);(124.93612,0.05387668);(124.954735,0.03081291);(124.972534,0.04283851);(124.98649,0.00211629);(124.990709,0.00174147);(125.023205,0.00326879);(125.059526,0.001141);(125.095965,0.00330892);(125.872088,0.02983231);(125.944028,0.00543929);(125.953742,0.0007802);(126.93194,0.00173414);(126.951759,0.39169417);(126.968327,0.00158037);(127.039037,0.00143075);(127.869102,0.01482577);(127.923189,0.03537023);(127.950848,0.00308914);(127.955561,0.00149168);(128.034199,0.00352209);(128.913409,0.00087944);(128.947524,0.02249564);(132.047715,0.00161061);(133.064773,0.00609794);(134.918081,0.29163098);(134.972224,0.11341045);(135.044036,0.00435421);(135.080378,0.00345158);(136.913875,0.00916136);(136.972432,0.00231401);(137.022967,0.00091638);(137.05966,0.00194215);(138.922791,0.01572742);(138.951826,0.06190849);(139.00274,0.00173853);(139.03854,0.00082439);(139.955315,0.00067018);(140.919608,0.00141656);(140.947657,0.01801319);(140.967444,0.04797513);(141.015871,0.0031169);(142.874858,0.00132045);(142.911193,0.00362693);(142.92883,0.0008022);(142.938559,0.004879);(142.963165,0.00446252);(143.085528,0.00357363);(143.900431,0.10498953);(144.908293,0.02907339);(145.049553,0.00799324);(145.064849,0.00189388);(145.896149,0.00411669);(147.044228,0.00092566);(147.080445,0.00569255);(148.987976,0.00592057);(149.059751,0.00415064);(149.096046,0.00110079);(150.016274,0.00385732);(151.03911,0.00140464);(151.075493,0.00125704);(152.916417,0.0014149);(152.938467,0.00787063);(152.967481,0.00147538);(152.982115,0.00420657);(154.94636,0.00129151);(154.997567,0.0054126);(155.034139,0.00369177);(155.88277,0.01625845);(155.978498,0.00415543);(156.893667,0.00266788);(156.908398,0.12244758);(156.944672,0.04613498);(156.962494,0.01945683);(157.064885,0.00214824);(157.862105,0.0350278);(157.879767,0.00579834);(157.916104,0.00194644);(157.933737,0.00359606);(158.845614,0.00893932);(158.892336,0.0010479);(158.904203,0.01280237);(158.923943,0.00717885);(158.93354,0.00101809);(158.94072,0.007899);(158.961262,0.00268886);(159.044176,0.00195219);(159.080567,0.00337362);(159.859098,0.01718021);(160.841089,0.14021966);(160.904854,0.00163579);(160.987884,0.00272537);(161.059772,0.00255928);(161.09622,0.00143037);(162.83826,0.01197601);(162.949638,0.00156044);(163.038928,0.00110163);(163.075339,0.00201544);(164.83499,0.00075835);(164.928747,0.00135471);(165.09088,0.00091623);(165.94193,0.0266805);(165.989829,0.00204172);(166.907996,0.00081102);(166.944539,0.00418456);(166.997483,0.00153054);(168.888874,0.00125596);(168.933433,0.00089646);(169.064936,0.00074722);(170.924045,0.01014818);(170.960407,0.0010963);(171.080528,0.00987226);(171.101911,0.01494916);(171.931792,0.00448404);(172.919787,0.00146347);(172.939709,0.01080649);(172.956803,0.00372902);(173.059924,0.00234323);(173.096128,0.00924139);(173.911233,0.1022386);(174.067633,0.00166763);(174.919093,0.01550382);(174.93551,0.00199467);(175.075437,0.00488386);(175.872675,0.01201409);(175.906861,0.00994423);(176.899826,0.00107324);(177.05503,0.00129974);(177.091282,0.00153594);(178.932464,0.00096117);(178.944524,0.00615444);(178.962391,0.01656248);(179.957574,0.00293378);(180.032657,0.00282084);(180.960314,0.00134108);(181.101341,0.00297532);(181.896873,0.00089304);(181.90643,0.0011344);(182.903091,0.00069709);(183.029101,0.01425011);(183.08076,0.00123363);(184.875811,0.0042442);(184.918943,0.02598381);(184.939751,0.00264644);(185.00824,0.01235868);(185.06003,0.0011123);(185.09654,0.00202963);(185.891783,0.00100393);(186.935854,0.00097567);(186.955371,0.00389157);(187.075583,0.00311051);(187.096889,0.00190396);(187.924004,0.00181973);(187.950864,0.00131166);(188.880559,0.01154354);(189.091201,0.00482102);(189.8887,0.11693568);(190.876649,0.00079924);(190.896165,0.00712583);(191.107072,0.00100096);(191.884213,0.01050684);(193.013413,0.00067552);(193.159059,0.00375228);(194.922191,0.00145582);(194.927408,0.00103675);(194.93941,0.00074439);(196.901222,0.00141107);(196.918747,0.01104491);(197.096318,0.00191206);(198.880703,0.01660214);(198.93478,0.25048993);(199.075749,0.0042924);(199.11234,0.04016722);(200.115313,0.00510781);(200.926622,0.00380263);(200.944119,0.00422073);(201.091235,0.00625846);(201.112369,0.00213611);(201.127787,0.00074335);(202.002699,0.00088948);(202.047925,0.0008294);(202.886775,0.00299443);(202.896457,0.00141597);(202.932841,0.00471958);(202.950535,0.00156663);(203.034108,0.0009812);(203.070839,0.00114742);(203.107257,0.00215725);(203.959428,0.00077753);(204.921273,0.00494703);(204.929573,0.00148425);(206.900952,0.01944587);(209.078846,0.00241929);(210.934918,0.06377018);(211.111883,0.0017843);(211.13309,0.00205078);(211.929849,0.00521217);(212.005228,0.00148095);(212.024678,0.00288186);(212.914128,0.00210492);(212.931327,0.00119256);(212.950436,0.04699016);(214.804463,0.00591921);(214.812268,0.00380549);(214.820569,0.00415004);(214.912134,0.00127629);(214.92954,0.01320382);(215.107419,0.00258042);(215.164314,0.00328719);(216.948546,0.00201436);(216.966232,0.00271921);(217.049649,0.00091014);(217.122814,0.00236993);(218.891551,0.00187011);(218.927465,0.00232396);(218.944286,0.00741003);(218.961827,0.00192251);(219.101717,0.00226384);(219.844755,0.00100175);(220.887256,0.00210813);(221.133315,0.00074352);(221.154039,0.00120119);(222.874956,0.00412137);(223.169874,0.00423458);(225.149168,0.00185094);(226.912151,0.12770792);(226.975556,0.00247439);(227.035238,0.00259141);(227.143341,0.00101789);(227.983259,0.00991669);(228.881217,0.01235097);(228.892758,0.00642755);(228.907097,0.00406878);(228.92793,0.00104893);(228.945331,0.00946934);(228.965479,0.00594298);(229.122766,0.00155636);(230.906756,0.00712041);(231.988862,0.00068115);(232.874088,0.01574041);(232.924305,0.00614567);(233.860529,0.00124107);(234.869151,0.00067451);(239.106916,0.00077242);(239.143398,0.00293855);(242.175954,0.01111179);(242.863548,0.00781987);(242.907152,0.06408325);(243.102034,0.00193397);(244.842666,0.00350791);(244.878182,0.02558579);(245.994214,0.01243391);(246.93997,0.0094776);(247.838539,0.00721055);(248.867027,0.00103745);(250.884198,0.00288657);(250.927655,0.04747764);(250.947779,0.00294352);(252.88913,0.04709918);(252.905489,0.00149906);(252.921982,0.00189585);(252.943118,0.00226737);(253.122374,0.00134506);(254.868677,0.0180271);(254.882563,0.0010951);(255.017416,0.0007415);(255.232367,0.00613742);(256.015195,0.01505098);(256.235687,0.00084223);(257.006578,0.00068366);(258.006879,0.00246594);(258.858635,0.000724);(258.883653,0.00631095);(260.874211,0.02956272);(262.869021,0.00304883);(262.960445,0.00153902);(264.159629,0.04100306);(264.832036,0.00215126);(264.889202,0.00147743);(264.935051,0.00252849);(264.962483,0.00106564);(265.148045,0.07176572);(265.163138,0.00735621);(268.095974,0.00104873);(268.110159,0.00165154);(274.880616,0.01136261);(275.853774,0.03194988);(276.853097,0.00239613);(277.850294,0.0174975);(281.852829,0.00066067);(283.133921,0.00293647);(283.264257,0.05131455);(284.267275,0.01048023);(284.973483,0.00450726);(285.038984,0.00119231);(287.019403,0.00242779);(289.913763,0.03343454);(290.912704,0.00598802);(291.876193,0.00332309);(291.892534,0.0104347);(291.910459,0.00802551);(292.891491,0.01311158);(293.179505,0.0007583);(293.863683,0.00070238);(294.917044,0.00887519);(299.01977,0.00144938);(300.004943,0.01462308);(301.11055,0.0056756);(302.006499,0.00402641);(303.06954,0.00279293);(303.127476,0.00102621);(306.943367,0.00650998);(307.880013,0.03570285);(307.942972,0.00160744);(308.87995,0.00300712);(309.15261,0.00121084);(309.859117,0.00290227);(309.876806,0.01957051);(313.035303,0.00305579);(314.006041,0.0009498);(314.903351,0.00073114);(315.014957,0.03177517);(316.017699,0.00289098);(330.002376,0.00109064);(330.038386,0.06002425);(330.991037,0.01240463);(331.04112,0.01044013);(331.999123,0.018922);(342.960822,0.00197014);(343.156242,0.00227928);(343.20133,0.00657985);(343.248202,0.00536642);(343.284776,0.00891111);(343.961832,0.02548981);(344.117268,0.06118877);(344.15683,0.00073759);(344.179013,0.00065828);(344.248913,0.00087107);(344.287486,0.0024091);(344.939996,0.03807425);(344.960096,0.01209595);(345.063867,0.02782435);(345.099713,0.00493744);(345.119738,0.00746422);(345.180984,0.00286961);(345.206912,0.00084827);(345.227247,0.00074206);(345.279441,0.01188212);(345.94033,0.01070643);(346.067035,0.00238329);(346.187545,0.01534398);(346.282837,0.00087175);(346.69072,0.00834925);(346.919528,0.02130254);(346.939584,0.00352775);(347.022829,0.00065827);(347.078712,0.00107924);(347.112621,0.02755023);(347.132193,0.00707142);(347.186435,0.00336034);(347.224327,0.00548812)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.066292,0.00050867);(51.858586,0.0005044);(51.943594,0.00048459);(55.006645,0.00045564);(55.017587,0.00060669);(55.28191,0.00046772);(56.979107,0.00037676);(57.033239,0.03216533);(58.255775,0.00043681);(58.994789,0.01065038);(59.012493,0.16770693);(59.234989,0.00047939);(60.015876,0.00132228);(60.97403,0.04739657);(61.969312,0.00364646);(61.985199,0.00074677);(61.987013,0.10897541);(63.943405,0.00819721);(63.959204,0.00042192);(63.961101,0.11537204);(64.951175,0.06291886);(65.001997,0.00374552);(65.956938,0.0033324);(66.94703,0.00493201);(67.868416,0.00030071);(68.99704,0.00061155);(69.033288,0.00813224);(69.11852,0.00031537);(71.012511,0.00942024);(71.048787,0.0003631);(72.56487,0.0004209);(72.991785,0.0116329);(73.028154,0.00559245);(74.023421,0.01388826);(74.960628,0.00159491);(74.989671,0.00549295);(75.007452,0.00543114);(76.95121,0.08439851);(76.953659,0.00035847);(76.968955,0.00147657);(77.005396,0.00245183);(78.947053,0.00407908);(78.957774,0.01043022);(78.966888,0.06646242);(78.971761,0.00048271);(78.984624,0.33311435);(78.997685,0.0006294);(79.053946,0.00156679);(79.938361,0.00137709);(79.942895,0.00132543);(79.956051,0.94199271);(79.969535,0.00290246);(79.987943,0.00155898);(80.63037,0.0005392);(80.950247,0.00062968);(80.963873,1.0);(80.977499,0.00225007);(80.98041,0.01805532);(80.988999,0.00031607);(81.03323,0.00512259);(81.951839,0.04433661);(81.960315,0.00448786);(81.963256,0.00625235);(82.959702,0.0465661);(82.968115,0.00347505);(83.012552,0.00187066);(83.048918,0.02778094);(84.740804,0.00043162);(85.028204,0.01215358);(87.00748,0.00407567);(87.924155,0.00059797);(89.023178,0.01000875);(89.924675,0.00030332);(90.966949,0.00642443);(90.984694,0.00977477);(92.926787,0.00256832);(92.946204,0.04329215);(92.962785,0.0013982);(92.982649,0.02152789);(92.997338,0.0003401);(93.000231,0.02714356);(93.03335,0.00704431);(93.971688,0.00155898);(93.985986,0.00067491);(93.995495,0.00199963);(94.923901,0.00036336);(94.941994,0.00351136);(94.962577,0.0014064);(94.979583,0.83735856);(95.012742,0.0006854);(95.048983,0.00497166);(95.91552,0.03044268);(95.933275,0.00380152);(95.951061,0.0027486);(95.974933,0.00113741);(95.978985,0.00095113);(95.982962,0.00370848);(96.226372,0.00044956);(96.923355,0.00579504);(96.941145,0.00252853);(96.958864,0.28534716);(96.975334,0.02385983);(96.983631,0.00039997);(97.028244,0.00265234);(97.064701,0.00229666);(98.95465,0.00570488);(99.00756,0.0063788);(99.043905,0.00336147);(99.080509,0.0006969);(99.924531,0.0032891);(100.98678,0.00089196);(101.023181,0.1094002);(101.059593,0.0026223);(101.920786,0.00049434);(101.979692,0.01578252);(102.026794,0.00068077);(102.728143,0.00030402);(102.945964,0.01448686);(102.984617,0.00066425);(103.002427,0.00818997);(103.054143,0.00031152);(103.919029,0.02199774);(104.001222,0.00033137);(104.03408,0.00078677);(104.926828,0.01665304);(105.069843,0.00278853);(106.962262,0.00036352);(106.979671,0.01047662);(107.012073,0.0006363);(107.015992,0.00041432);(107.049,0.00454182);(108.923388,0.04445064);(108.958963,0.0003419);(108.977535,0.06561397);(108.995269,0.00903465);(109.028374,0.00497205);(109.064668,0.00561139);(109.400127,0.00045183);(109.999648,0.00051044);(110.035865,0.00029913);(110.531369,0.0003617);(110.919351,0.00113166);(110.939127,0.02021207);(110.9568,0.12441069);(110.974549,0.2244301);(111.007628,0.00489729);(111.043943,0.00412143);(111.080534,0.0007547);(111.92823,0.08404871);(111.956063,0.00096787);(112.914476,0.00047086);(112.936069,0.46885515);(112.95262,0.01287942);(112.958048,0.00058965);(112.970589,0.00036012);(113.02314,0.00040728);(113.924046,0.00438278);(113.935377,0.00208499);(114.931885,0.02456618);(114.966794,0.00043672);(115.919587,0.00329193);(116.528925,0.00045968);(117.033456,0.00725963);(118.940828,0.04028591);(119.049045,0.00104357);(119.085339,0.0012169);(119.945896,0.00154824);(121.028334,0.01765589);(121.064682,0.00566427);(121.990528,0.00221593);(122.036313,0.00033933);(122.893248,0.00065065);(122.974742,0.00091253);(123.007605,0.00478107);(123.043994,0.00234323);(123.080351,0.0003809);(123.945267,0.00205036);(124.936086,0.02831778);(124.954745,0.01800144);(124.972487,0.02323234);(124.986704,0.00244886);(125.023193,0.00073913);(125.096052,0.00333494);(125.872052,0.03729029);(125.943911,0.00123025);(126.931954,0.00212681);(126.951745,0.3319133);(127.002708,0.00062965);(127.869123,0.01688155);(127.923271,0.02515315);(127.951233,0.00038666);(127.955332,0.00033586);(128.034178,0.00184544);(128.947596,0.01660064);(130.943514,0.0002959);(132.047716,0.00351591);(133.064878,0.00516567);(134.918058,0.33715485);(134.972246,0.12810035);(135.044066,0.00563288);(135.080501,0.00291595);(135.917569,0.0007367);(136.91381,0.0101735);(136.951074,0.00061725);(136.972556,0.00165392);(137.023245,0.00042581);(137.059915,0.00117292);(138.922711,0.00677784);(138.951831,0.04673975);(139.002468,0.002741);(139.039169,0.00030903);(139.111195,0.0005623);(139.955857,0.00030317);(140.919771,0.00118829);(140.94795,0.00795306);(140.967508,0.03086275);(141.016107,0.00045461);(142.875234,0.00069744);(142.938597,0.01224646);(143.048974,0.000827);(143.085576,0.0033656);(143.900429,0.07343811);(144.908453,0.00857269);(145.049698,0.00133585);(145.064951,0.0021779);(145.101339,0.00042598);(145.89645,0.00189855);(147.043811,0.00045742);(147.08065,0.00295486);(148.812599,0.00032619);(148.987839,0.00370797);(149.023404,0.00093393);(149.059868,0.00040762);(150.016227,0.00188954);(152.916682,0.00310432);(152.938368,0.00050722);(152.982125,0.00112628);(153.05454,0.00032138);(154.946463,0.00124439);(154.982853,0.00030581);(154.99747,0.00187842);(155.034322,0.00080862);(155.085409,0.00035636);(155.882822,0.00157826);(155.978733,0.0017374);(156.89383,0.00153984);(156.908364,0.06122191);(156.944642,0.01566883);(156.962513,0.00762151);(157.02808,0.00043212);(157.065192,0.00148099);(157.08659,0.00033755);(157.862158,0.05379286);(157.916383,0.00075067);(157.933728,0.00064414);(158.845726,0.00482826);(158.862943,0.00037583);(158.904411,0.00323358);(158.912699,0.00131902);(158.923773,0.00045477);(158.933374,0.00067749);(158.960885,0.00036045);(159.043929,0.00062975);(159.080477,0.00240158);(159.85912,0.02685385);(160.841134,0.10827466);(160.904696,0.00036646);(160.934227,0.00135479);(161.060036,0.00307938);(161.096498,0.00099065);(162.838133,0.00984223);(162.949591,0.00489286);(163.039321,0.00047729);(164.591184,0.00031497);(164.835315,0.00078373);(164.928643,0.00342692);(164.98272,0.00060738);(165.054696,0.00038836);(165.941765,0.00612177);(165.990085,0.00291215);(166.891948,0.00058393);(166.908592,0.00035488);(166.944354,0.00039472);(166.997627,0.00203554);(168.888851,0.00077123);(169.417332,0.00045478);(170.889246,0.00073266);(170.924513,0.00038845);(170.983834,0.00033143);(171.08068,0.00700747);(171.101847,0.00964471);(171.116627,0.00054896);(171.932902,0.00030076);(172.05183,0.00030182);(172.940354,0.00059752);(172.956864,0.00067898);(173.05994,0.00198198);(173.096436,0.00450423);(173.869101,0.00035517);(173.911308,0.02778043);(174.068154,0.00086676);(174.870323,0.00033896);(174.918998,0.00030201);(175.07592,0.00059023);(175.87271,0.00065799);(176.928566,0.000305);(178.050052,0.00039278);(178.798552,0.00061538);(178.932582,0.00144876);(178.944646,0.02037784);(178.962492,0.01821319);(179.034464,0.00029976);(180.032781,0.00068292);(180.906241,0.00081274);(181.102077,0.00159801);(181.158901,0.00118582);(181.897273,0.00117981);(181.907136,0.00030063);(182.902099,0.00035285);(182.970367,0.00036423);(183.029321,0.00367647);(183.080854,0.00243684);(184.000949,0.002136);(184.876054,0.00531489);(184.918844,0.01322689);(184.940515,0.00059909);(185.008537,0.00132278);(185.096368,0.00068165);(185.420199,0.00032423);(185.892348,0.00149092);(186.872725,0.00031377);(186.955016,0.00040608);(187.039304,0.0003451);(187.075723,0.0013191);(188.879781,0.00039747);(189.888641,0.03792752);(190.988882,0.00031955);(191.884403,0.00115612);(192.196083,0.00062619);(193.159122,0.00604251);(194.927686,0.00069576);(196.918912,0.00870639);(197.097171,0.00029556);(198.879902,0.00066929);(198.924594,0.00040384);(198.934702,0.06024021);(199.006454,0.0012148);(199.039136,0.00062577);(199.075529,0.00066383);(199.112256,0.02229086);(200.114971,0.0007165);(200.927117,0.00032372);(200.943778,0.00032709);(201.091586,0.00198795);(202.886825,0.00220919);(203.959316,0.00276605);(204.883272,0.00030845);(204.921776,0.00165998);(206.900821,0.00560602);(209.079143,0.00110118);(209.204126,0.00046181);(210.934843,0.08557593);(210.954748,0.00169693);(211.076121,0.00031659);(211.133752,0.00085313);(212.024547,0.0014083);(212.913848,0.00176718);(212.930468,0.00337527);(212.950272,0.0075084);(214.803691,0.00697151);(214.812478,0.00825421);(214.816094,0.00730109);(214.913483,0.00158195);(215.035006,0.0003814);(217.051397,0.00034521);(218.033206,0.0003178);(218.891903,0.0004879);(219.84552,0.00079969);(221.84228,0.00032274);(223.170115,0.0011614);(224.972617,0.0003258);(225.149664,0.00061066);(226.911949,0.02366012);(226.975784,0.00739182);(227.035441,0.00104373);(227.983992,0.00097447);(228.848332,0.00121983);(228.882497,0.01214615);(228.929527,0.00129534);(228.965295,0.00072608);(229.014921,0.00031409);(230.021391,0.00035636);(230.425987,0.00032051);(232.874074,0.01245387);(232.924615,0.00208254);(233.027203,0.0002939);(233.928847,0.0005094);(240.884371,0.00158549);(241.217108,0.00061998);(242.175603,0.00099799);(242.863804,0.02202295);(242.907299,0.04297334);(243.029159,0.00167373);(243.441256,0.00072914);(244.843085,0.00663392);(244.861334,0.00188606);(244.878144,0.01776017);(245.994156,0.00365654);(246.873123,0.00038729);(246.940221,0.00379602);(247.838854,0.00544889);(250.887614,0.00032962);(250.927526,0.00959366);(250.947522,0.00187233);(252.888353,0.0011727);(254.856107,0.00105618);(255.233417,0.00087109);(256.015653,0.00069605);(256.878755,0.00079815);(256.991217,0.00075863);(257.887836,0.00031482);(258.007516,0.02339229);(258.858535,0.00835587);(258.894869,0.00290241);(259.014868,0.00079257);(260.857341,0.00070806);(260.873639,0.0224349);(262.85473,0.00037111);(262.868792,0.00067676);(264.159584,0.03078395);(264.832014,0.00117102);(264.963582,0.00066062);(265.147942,0.04036999);(265.162685,0.0038769);(268.095321,0.006202);(268.597919,0.00047527);(268.943116,0.0020251);(270.922376,0.00583463);(272.900787,0.00206901);(274.880971,0.01625664);(275.103541,0.0008585);(275.853473,0.01269822);(276.871988,0.00033965);(277.850638,0.00349779);(278.84876,0.00125116);(279.855209,0.00079349);(281.102867,0.0003942);(282.110747,0.00168531);(282.438381,0.00030441);(282.612726,0.00043052);(282.992484,0.00035583);(283.264192,0.02704282);(284.267427,0.00567571);(284.900635,0.00052929);(284.973344,0.00134147);(285.65882,0.00030251);(285.972847,0.00031082);(287.019495,0.00695816);(289.053643,0.00034443);(289.913726,0.00960011);(290.91486,0.00029875);(291.004806,0.00033159);(291.893128,0.00186753);(291.911043,0.00088758);(294.733913,0.00029772);(297.03584,0.00035937);(299.019568,0.00110725);(300.47618,0.00032614);(302.00752,0.00032882);(303.068982,0.00046123);(306.943768,0.00190421);(307.880173,0.00041109);(313.035599,0.00076607);(314.904195,0.00034187);(315.014678,0.04634022);(316.017461,0.00448905);(318.86053,0.00032685);(329.984689,0.0003365);(330.037836,0.01515364);(330.990945,0.0013173);(331.04144,0.00100409);(331.999564,0.00408632);(339.938365,0.00029529);(342.962201,0.00159334);(343.201636,0.00188788);(343.285065,0.00072443);(343.96184,0.01968071);(344.117403,0.02829007);(344.939986,0.02171234);(344.960323,0.0084613);(345.063933,0.00521454);(345.102242,0.00034403);(345.120375,0.00085242);(345.27998,0.00429201);(345.940092,0.00379931);(346.189811,0.00045108);(346.919831,0.01111377);(347.112895,0.00397143);(347.133283,0.00057822);(347.224103,0.00035377)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.166709,0.00015124);(50.225965,0.00028391);(50.396348,0.00015194);(50.575556,0.00014311);(50.889649,0.00014856);(51.77065,0.00016621);(51.789647,0.00017889);(51.819408,0.00016664);(52.061008,0.00017711);(52.334491,0.00025294);(52.689541,0.00031435);(53.74146,0.00015345);(55.01769,0.00162551);(55.782361,0.00031486);(55.850108,0.0001772);(55.915784,0.00014105);(56.979199,0.00060807);(57.03323,0.01777316);(57.163034,0.00023928);(58.004736,0.00019561);(58.02878,0.00017224);(58.100234,0.00019289);(58.994778,0.01266108);(59.012497,0.09101321);(59.966071,0.00017285);(60.015923,0.00022331);(60.039778,0.00014476);(60.278783,0.00029953);(60.974022,0.03314564);(61.01042,0.00186002);(61.729876,0.00015891);(61.969364,0.00194266);(61.987013,0.08715341);(62.118128,0.00014046);(62.56075,0.00028241);(62.969879,0.00029243);(63.943348,0.0164341);(63.951212,0.00015876);(63.961105,0.18483068);(63.970104,0.00015472);(64.066367,0.0001433);(64.394327,0.0001537);(64.455487,0.00015745);(64.553384,0.00029795);(64.951182,0.05094254);(64.968932,0.00232381);(65.001958,0.01261717);(65.038417,0.0004971);(65.456593,0.00015983);(65.939202,0.00103832);(65.950502,0.00023263);(65.956959,0.00983823);(66.175302,0.00015889);(66.660275,0.00029511);(66.946998,0.00668688);(67.017619,0.00154176);(67.44047,0.00014584);(68.228739,0.00024653);(68.996898,0.00282682);(69.033292,0.00600492);(69.43822,0.00037914);(70.370475,0.00015214);(71.012529,0.00600297);(71.048854,0.00049711);(72.007699,0.00022007);(72.94629,0.00026068);(72.99181,0.00615359);(73.010578,0.00015491);(73.028233,0.002856);(73.209697,0.00014186);(73.333236,0.00025127);(74.023443,0.00679927);(74.156341,0.00014828);(74.220515,0.00033116);(74.273947,0.00046633);(74.27568,0.00021452);(74.960592,0.00460923);(74.989611,0.01310711);(75.00747,0.00148735);(75.25482,0.00015797);(75.960876,0.00130303);(76.951207,0.07698727);(76.968918,0.00756537);(77.00535,0.00784839);(77.950476,0.00037982);(77.964171,0.00157347);(78.12879,0.00013981);(78.917582,0.00019329);(78.947011,0.0030931);(78.957771,0.00965599);(78.966894,0.05214967);(78.984629,0.19247666);(79.054012,0.00317837);(79.278501,0.00016749);(79.767259,0.00023866);(79.938307,0.00619255);(79.942432,0.00437567);(79.956054,1.0);(79.968605,0.00206802);(79.969698,0.00240571);(79.979699,0.00017368);(79.983938,0.00045121);(79.988033,0.00077097);(80.157325,0.00015412);(80.851207,0.00015484);(80.950106,0.00188258);(80.955425,0.00287365);(80.96387,0.73793391);(80.977548,0.00175717);(80.980403,0.01080541);(81.033246,0.00831921);(81.164237,0.00030799);(81.951848,0.0442868);(81.960287,0.0057245);(81.963259,0.00451878);(82.028526,0.0001777);(82.959681,0.03154153);(82.96811,0.00176846);(83.012513,0.0039577);(83.04891,0.01311147);(84.052303,0.0003697);(85.028181,0.00469631);(85.488085,0.00016552);(86.281027,0.00030007);(86.523175,0.00052369);(87.00753,0.0014319);(87.38662,0.00014464);(87.658031,0.0005707);(87.660611,0.00131179);(87.664537,0.00030829);(87.73323,0.00029085);(87.923949,0.00112176);(89.023084,0.00262576);(89.958969,0.0005784);(90.115761,0.00015333);(90.93218,0.00054389);(90.966901,0.00355504);(90.98467,0.00506674);(91.054004,0.00032692);(92.92684,0.00081047);(92.946164,0.01878213);(92.962849,0.00020768);(92.982541,0.00804207);(92.997085,0.00241896);(93.000194,0.03854737);(93.033339,0.00862636);(93.069855,0.00018533);(93.968276,0.00015578);(93.971762,0.00408446);(93.995574,0.00102354);(93.999961,0.00015082);(94.003636,0.00017708);(94.923709,0.00017027);(94.942019,0.00082704);(94.96202,0.00161401);(94.979559,0.66311316);(94.996247,0.00167812);(95.012568,0.0009977);(95.048995,0.00347637);(95.665098,0.00026974);(95.915498,0.02702715);(95.933277,0.01480061);(95.951003,0.00794367);(95.97503,0.00209126);(95.978966,0.00161681);(95.982887,0.00175579);(96.92327,0.00145242);(96.941154,0.00143024);(96.958869,0.22819426);(96.975363,0.01557127);(96.983673,0.00078451);(96.99183,0.00173862);(97.000278,0.00014565);(97.028229,0.00089919);(97.064612,0.00173228);(97.910821,0.00015505);(97.92954,0.00014936);(97.958193,0.00014033);(98.200194,0.00029701);(98.954645,0.0060173);(99.007572,0.00173894);(99.288464,0.00016141);(99.924624,0.00683968);(101.023188,0.02050508);(101.979684,0.00387202);(102.945886,0.02968025);(103.054327,0.00035039);(103.919036,0.01239482);(104.034669,0.00020779);(104.926846,0.00477261);(105.069859,0.003035);(105.200039,0.00017356);(105.634565,0.00017325);(105.825069,0.00015339);(106.040638,0.00017754);(106.746464,0.00015335);(106.979619,0.02147943);(107.016212,0.00024992);(107.049018,0.00442495);(108.020392,0.00181355);(108.923405,0.02215209);(108.977578,0.01621128);(108.995301,0.00688092);(109.0283,0.00333478);(109.064549,0.00130555);(109.999795,0.00338482);(110.036118,0.00019599);(110.919256,0.00028588);(110.939079,0.0040322);(110.956823,0.06334227);(110.97454,0.08549126);(111.007592,0.00403493);(111.043979,0.0006533);(111.08035,0.00020858);(111.351111,0.00016298);(111.928248,0.07465767);(111.945866,0.00018517);(112.936098,0.19378016);(112.952539,0.00293377);(113.923952,0.0046768);(113.935462,0.00059974);(114.864512,0.00014283);(114.931955,0.01053764);(115.919562,0.00277726);(116.927292,0.00017527);(117.033447,0.01358009);(117.070049,0.00028702);(117.447484,0.00018092);(118.940886,0.07971529);(119.04907,0.00266467);(119.085421,0.00058416);(120.936826,0.00100668);(120.956483,0.00512083);(121.028401,0.00729977);(121.064749,0.00368168);(121.990602,0.00268761);(122.893135,0.0012045);(122.956676,0.00023762);(123.007631,0.00777722);(123.044359,0.00044921);(123.080514,0.00019094);(123.134443,0.00019171);(123.945307,0.00208905);(124.519481,0.00027467);(124.936112,0.00416169);(124.954944,0.00076011);(124.972485,0.00393258);(124.986753,0.00105258);(125.023194,0.00102569);(125.096147,0.00024538);(125.872087,0.01948282);(125.961676,0.00022447);(126.951783,0.13113739);(126.957198,0.0017432);(126.968238,0.00026855);(127.869167,0.00991345);(127.923237,0.00337328);(127.951037,0.00024796);(128.034118,0.00031358);(128.947583,0.00563261);(130.580398,0.00015265);(131.033278,0.00019962);(131.085841,0.00015627);(132.047767,0.00317595);(133.028333,0.00129598);(133.064718,0.0032238);(134.918071,0.18569572);(134.972225,0.02311984);(135.044026,0.00484278);(135.080418,0.00102686);(135.348553,0.00015959);(135.917541,0.00078911);(136.913836,0.0058748);(136.921559,0.00193073);(136.93897,0.00040782);(136.951494,0.00462026);(136.972668,0.00026441);(136.986851,0.00183633);(137.023155,0.00055857);(137.059333,0.00015611);(137.994501,0.0003834);(138.645071,0.00014386);(138.922219,0.00017788);(138.951867,0.01642045);(138.968496,0.00021431);(139.002567,0.0031328);(140.947779,0.00152644);(140.967342,0.00505057);(141.000181,0.00023728);(141.958491,0.00324032);(142.938648,0.00776711);(143.049265,0.00167674);(143.085351,0.00095468);(143.864164,0.00018602);(143.889373,0.00018817);(143.900505,0.01314896);(145.028365,0.00140202);(145.064867,0.00131817);(145.234152,0.00017978);(145.722235,0.00016016);(147.044059,0.00043636);(147.080445,0.00088229);(148.015315,0.0001917);(148.571691,0.00032465);(148.96638,0.00016838);(149.009471,0.00017122);(149.023328,0.00808231);(149.059728,0.00059488);(150.016353,0.00056277);(150.243722,0.00017898);(150.832606,0.00016323);(151.002068,0.0001867);(151.038418,0.00025415);(152.787593,0.00015879);(152.893652,0.00048169);(152.916618,0.01403369);(152.967047,0.00068016);(153.019173,0.0001644);(154.912419,0.00020681);(154.946292,0.00112508);(155.085786,0.00020275);(156.494097,0.00014862);(156.893827,0.00118445);(156.908355,0.00786759);(157.029155,0.00015823);(157.064953,0.00202817);(157.862088,0.03574889);(158.845502,0.00054321);(158.862664,0.00019451);(158.891973,0.00027298);(158.912351,0.00039652);(158.933551,0.0001801);(159.044133,0.00443808);(159.0802,0.000357);(159.560107,0.00014752);(159.859133,0.01566615);(159.892707,0.00020486);(159.969287,0.00093817);(160.841112,0.03291259);(160.933893,0.00086071);(161.023296,0.00122721);(161.059935,0.00020774);(161.096133,0.00022146);(162.838069,0.00349498);(162.892393,0.00017686);(162.949725,0.00729622);(163.001779,0.00017895);(163.039327,0.00057638);(164.929012,0.00043014);(164.946742,0.00048412);(164.981973,0.0012889);(165.001037,0.00068336);(165.989949,0.00226201);(166.085129,0.00018148);(168.88932,0.0007625);(168.909543,0.00033789);(168.969465,0.0003705);(169.02829,0.00020791);(169.064761,0.00019023);(170.889316,0.00069893);(171.044335,0.00135525);(171.08058,0.0008567);(171.101388,0.00016295);(171.637893,0.00017093);(171.887407,0.00022143);(173.059881,0.00069149);(173.095991,0.00019616);(175.631508,0.00034584);(176.062186,0.00018248);(177.018327,0.00017771);(178.034408,0.00016958);(178.050236,0.014087);(178.302656,0.00019529);(178.94449,0.0132763);(178.952769,0.00022596);(178.962274,0.00251381);(180.941717,0.00075575);(181.101291,0.00043118);(181.897041,0.00121481);(181.907334,0.00014697);(182.705201,0.00025077);(182.903273,0.00146159);(182.985801,0.00040284);(183.011232,0.00235513);(183.080658,0.00240767);(184.001152,0.00132948);(184.875461,0.00597435);(185.00635,0.0007617);(185.023528,0.00062953);(185.8919,0.00507318);(186.031149,0.00018528);(186.872721,0.00054226);(187.039083,0.00120372);(189.792098,0.00020521);(190.987289,0.00018522);(192.065972,0.00021003);(196.918905,0.00061106);(197.00891,0.0005073);(197.025141,0.00020588);(197.060517,0.00034821);(197.774782,0.00031736);(199.006174,0.00098471);(199.039867,0.00022842);(199.074492,0.00019885);(199.112016,0.00060014);(201.001135,0.00018083);(202.886433,0.0025164);(203.145709,0.00018389);(203.959552,0.00057567);(204.016764,0.00469428);(206.750422,0.00018666);(208.722338,0.00017189);(208.975595,0.00128084);(210.934902,0.03618323);(210.954822,0.00445598);(211.140106,0.00019164);(212.914,0.00058617);(212.932003,0.0012806);(213.020648,0.0005265);(214.913525,0.00783864);(215.001157,0.00019416);(215.034548,0.00154046);(215.912821,0.00034864);(216.910053,0.00020182);(216.972406,0.00053833);(220.131509,0.00184512);(220.140045,0.00075992);(224.971502,0.00031124);(226.975676,0.00139782);(227.10885,0.00016306);(228.84757,0.00038018);(228.883298,0.0007018);(228.929385,0.00273655);(230.02111,0.00022037);(232.874289,0.00068025);(239.081681,0.00018504);(240.873066,0.00038857);(240.88461,0.02093129);(241.014169,0.00017676);(241.884638,0.00053146);(242.848236,0.00272728);(242.863602,0.0099845);(242.881164,0.00355492);(242.906821,0.00190372);(243.435255,0.00014949);(243.863165,0.00022978);(243.991841,0.00044503);(244.843107,0.00833791);(244.859684,0.00023014);(244.877714,0.00172595);(246.839745,0.00189115);(247.714783,0.00019268);(247.839257,0.00037087);(249.849784,0.00016925);(250.947421,0.00205193);(251.016318,0.00018246);(254.735973,0.00016735);(254.856426,0.00045621);(254.926213,0.0001779);(256.880248,0.00079426);(257.887782,0.00019096);(258.007674,0.03006657);(258.858996,0.00161366);(258.876718,0.00014793);(258.895218,0.01027955);(259.010736,0.00127902);(259.024927,0.00218079);(259.893385,0.0003537);(260.829533,0.00059831);(260.87286,0.00072948);(260.892367,0.00139751);(262.581025,0.00016684);(262.826674,0.00041383);(264.160355,0.0007237);(265.147299,0.00039982);(265.564005,0.00015708);(268.096177,0.00018474);(268.596934,0.00028711);(268.94334,0.01219281);(269.942898,0.00626055);(270.922356,0.01690143);(270.938711,0.0026177);(271.921898,0.00295343);(272.024257,0.0001965);(272.901469,0.00877842);(272.918514,0.00114364);(274.881113,0.01158451);(284.66422,0.00018737);(287.019383,0.00433231);(289.053784,0.00435396);(293.904482,0.00016362);(308.368415,0.00017827);(314.99439,0.00026693);(315.014602,0.0014249);(318.730743,0.00032278);(328.407594,0.00016751);(330.201237,0.00018645);(344.692311,0.00014966);(344.93867,0.00039382);(346.918646,0.00020978)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(53.039414,0.00071274);(55.01863,0.0648157);(55.055017,0.0125023);(56.021939,0.00108136);(56.050252,0.00496396);(57.034279,0.02234091);(57.070661,0.04452757);(58.065908,0.2330665);(58.074024,0.00154317);(59.049917,0.01506865);(59.069231,0.00589299);(60.045157,0.00549263);(61.011381,0.00879008);(62.019222,0.002233);(62.98246,0.00269679);(63.027022,0.00067162);(63.998469,0.00324893);(67.054958,0.0181731);(69.034207,0.00899936);(69.070584,0.01756011);(70.065832,0.00667924);(71.049843,0.00736828);(71.086209,0.01828323);(72.045107,0.00169225);(72.081454,0.00286245);(73.029043,0.00127265);(73.065445,0.00134115);(74.060716,0.00684632);(74.097126,0.00392108);(75.044703,0.00454916);(76.039966,0.00123415);(79.021858,0.08716461);(79.054834,0.02316041);(80.025177,0.00156544);(81.017571,0.00595379);(81.034061,0.00177976);(81.070468,0.03383278);(82.073887,0.00090656);(83.013325,0.00407214);(83.049722,0.00714205);(83.086115,0.01344523);(84.044933,0.00091224);(84.081331,0.0016238);(85.028996,0.04844111);(85.040271,0.00273137);(85.065302,0.00632852);(85.101817,0.0101962);(86.032269,0.00180616);(86.060599,0.00231532);(86.096992,0.00872202);(87.044628,0.01682716);(88.022098,0.00435068);(88.048014,0.00105604);(88.076225,0.00997866);(89.060241,0.16864559);(90.063591,0.04837109);(90.066672,0.00135241);(91.054738,0.04934949);(91.064424,0.006669);(92.058114,0.00210306);(92.983221,0.00141912);(93.034099,0.00061289);(93.037367,0.00446814);(93.070351,0.03336264);(94.073699,0.00199586);(95.049631,0.01265404);(95.086032,0.0287237);(96.089361,0.0011697);(97.028808,0.00315171);(97.065251,0.01022927);(97.101629,0.00766408);(98.060493,0.00216126);(98.096896,0.00283975);(98.984536,0.0009739);(99.044477,0.00558374);(99.080889,0.00607827);(100.076179,0.01515621);(101.003611,0.02010657);(101.023817,0.00434619);(101.060058,0.00586626);(102.055347,0.0026165);(103.039329,0.00615397);(103.054644,0.00186082);(105.033866,0.00297608);(105.070264,0.04242381);(106.073513,0.00204056);(106.086617,0.00192207);(107.049523,0.01261147);(107.070595,0.00731585);(107.08591,0.02392962);(108.074076,0.00110965);(108.089095,0.00050784);(109.028741,0.00167636);(109.06521,0.01007058);(109.101522,0.01590057);(110.060325,0.00114906);(111.04435,0.00807272);(111.080745,0.00617875);(111.117072,0.00163641);(112.076128,0.00072741);(112.09984,0.01072903);(113.060031,0.15061379);(113.096203,0.001021);(114.055319,0.00047164);(114.063324,0.00892231);(115.039218,0.00169572);(115.054636,0.00604063);(115.075678,0.00634592);(116.053154,0.01746375);(116.062366,0.00051622);(116.070872,0.00191808);(116.107286,0.00140272);(116.977459,0.00077145);(117.070144,0.03514613);(118.073525,0.00157826);(118.08652,0.08803187);(119.049377,0.00684778);(119.085754,0.04630828);(119.08991,0.00321097);(120.089033,0.00367402);(121.02857,0.0128464);(121.064977,0.01137565);(121.086078,0.0019434);(121.10143,0.01420119);(122.081329,0.00567859);(123.044214,0.00599627);(123.080513,0.00487227);(123.116981,0.00696269);(124.039415,0.00231305);(124.075867,0.00072266);(125.059787,0.00321209);(125.096287,0.00547551);(125.935927,0.00067506);(127.075442,0.00123852);(127.112104,0.00047557);(128.06229,0.00663834);(128.070784,0.00061862);(128.143288,0.00068361);(129.054773,0.00328441);(129.06998,0.06737189);(130.07322,0.00521009);(130.078051,0.00213181);(130.08617,0.00045921);(130.159164,0.03642108);(131.049224,0.00284765);(131.070525,0.00044397);(131.085659,0.11752464);(132.088901,0.0094827);(133.064857,0.02754717);(133.085988,0.0498536);(133.101301,0.0187682);(134.068062,0.00153228);(134.08929,0.02591015);(135.044184,0.00981689);(135.08059,0.01158387);(135.090354,0.00269107);(135.116921,0.01687662);(136.06176,0.00185588);(136.112002,0.00147939);(137.059687,0.01109918);(137.096006,0.00422982);(137.132547,0.00269261);(139.075532,0.00253094);(139.11154,0.00081797);(140.959196,0.00123115);(141.054527,0.00122751);(141.069844,0.03240073);(142.078042,0.01785401);(143.033898,0.0045723);(143.071172,0.00078427);(143.085601,0.07455762);(144.088867,0.00769443);(144.101918,0.00724381);(145.028456,0.01126126);(145.064783,0.00881645);(145.101191,0.04492844);(146.081275,0.00157691);(146.104489,0.00440439);(146.974296,0.0044722);(147.044014,0.00583786);(147.080452,0.02588897);(147.116725,0.00784797);(148.083699,0.00531197);(149.059744,0.00871181);(149.096235,0.00893511);(149.132613,0.00358416);(150.040661,0.00290188);(151.038877,0.00156199);(151.075502,0.00270908);(151.09642,0.0019084);(151.111801,0.00264603);(153.054518,0.00096464);(153.069888,0.02368809);(153.090939,0.00097378);(153.12742,0.00252307);(154.077794,0.00703073);(155.070438,0.00098529);(155.085514,0.08278636);(156.088271,0.00485826);(156.093654,0.00873577);(156.138225,0.00574747);(156.92681,0.0004964);(157.049873,0.00047099);(157.064793,0.0172124);(157.10125,0.04268172);(158.072889,0.00262754);(158.104479,0.00471088);(159.044173,0.00168369);(159.080576,0.01022624);(159.116983,0.00998847);(160.990081,0.00261892);(161.059664,0.00795284);(161.096113,0.00627633);(161.132549,0.00307088);(163.038956,0.01501891);(163.073919,0.00516735);(163.111809,0.00206501);(163.148025,0.00080454);(163.985024,0.00045234);(164.920269,0.00342219);(165.054647,0.00202312);(165.069867,0.02329917);(165.090858,0.0016183);(165.127193,0.00127377);(166.077863,0.07219016);(166.085854,0.00062466);(167.033813,0.0004974);(167.070228,0.00058026);(167.080294,0.00445035);(167.085955,0.00669531);(167.10699,0.00064393);(167.143399,0.00116229);(168.093625,0.02398773);(169.06472,0.00509765);(169.101383,0.03198892);(170.104571,0.00579162);(171.029089,0.00093502);(171.080465,0.02745504);(171.11679,0.11983433);(172.083626,0.00136944);(172.120223,0.01540145);(173.059708,0.00587831);(173.096153,0.01460457);(173.132588,0.00778305);(174.099518,0.00053033);(174.148925,0.00244073);(174.934879,0.00669603);(175.075193,0.01038993);(175.111768,0.00395071);(175.147896,0.000712);(176.948119,0.00049929);(177.054704,0.00412176);(177.08971,0.00202728);(177.112119,0.00277107);(177.127343,0.00115771);(178.115178,0.00240836);(179.070723,0.00086915);(179.085575,0.00909129);(179.106775,0.0004735);(179.14281,0.00066702);(180.894375,0.00047026);(181.064926,0.00398394);(181.101166,0.24940767);(182.104238,0.03206109);(183.080494,0.00940925);(183.116958,0.03127123);(184.088552,0.01215691);(184.120505,0.00292462);(185.059741,0.00990555);(185.096432,0.01362392);(185.132437,0.00217561);(186.936651,0.00046814);(187.038925,0.00595573);(187.075311,0.00502948);(187.111709,0.00709813);(187.147908,0.0009848);(188.93759,0.00309326);(189.054499,0.00091248);(189.091005,0.00944228);(189.127347,0.00505667);(190.107473,0.01974094);(191.000688,0.00046998);(191.085387,0.00152135);(192.945444,0.03050823);(194.072465,0.0017128);(194.924528,0.0023851);(194.940936,0.00053439);(195.080254,0.00054382);(197.059816,0.00213673);(197.096159,0.02086948);(198.099545,0.00432231);(199.07551,0.02422);(199.1118,0.10800161);(200.078891,0.00183901);(200.115117,0.01524961);(201.054935,0.00176327);(201.091079,0.00785651);(201.127573,0.01202252);(203.070332,0.00246485);(203.106632,0.00387114);(203.142996,0.00507168);(205.122458,0.00152552);(206.961401,0.00091053);(206.977589,0.00430009);(209.059542,0.00114949);(209.09611,0.03500242);(210.099531,0.00537886);(210.956007,0.00391404);(211.023588,0.0028597);(211.075407,0.00137161);(211.111521,0.00047104);(211.205669,0.00570489);(212.082912,0.00118506);(212.237283,0.00914256);(212.935452,0.00153459);(213.090667,0.00183296);(214.253042,0.00125833);(214.760849,0.00241957);(214.774657,0.00201944);(215.018703,0.00078525);(215.070053,0.00141295);(215.106842,0.01269766);(215.126077,0.00398509);(216.110492,0.00081526);(217.027106,0.00075308);(217.049219,0.00069141);(217.085932,0.00143389);(217.122333,0.02040338);(218.125618,0.00199666);(219.174345,0.51311784);(220.177777,0.01810902);(221.062959,0.00283008);(225.055136,0.00050613);(225.090906,0.00633429);(226.216554,0.01707191);(227.070447,0.00352605);(227.106664,0.06679609);(227.164239,0.00440773);(227.200344,0.00585982);(227.219845,0.00192777);(228.110139,0.01093713);(229.049429,0.00171987);(229.085929,0.00128437);(229.104302,0.00050652);(229.122477,0.00195869);(229.143446,0.00751929);(231.028216,0.00056022);(231.065543,0.00066651);(231.137909,0.00047961);(233.043185,0.00213878);(233.117107,0.00288968);(233.891578,0.00053823);(238.967304,0.00058875);(240.232092,0.00445277);(240.268409,0.00050397);(241.04969,0.00057383);(241.085246,0.0006251);(241.195299,0.00062668);(241.2355,0.00682803);(242.238587,0.01196114);(243.065147,0.00176611);(243.101376,0.00657486);(243.121033,0.00075264);(243.211508,0.00045756);(244.105323,0.00086605);(245.080572,0.00051149);(245.117313,0.00393244);(247.058801,0.00156213);(247.907042,0.00076442);(250.894234,0.00099224);(252.94921,0.00161322);(254.247837,0.00651623);(254.927965,0.00361574);(255.029317,0.00059289);(255.231513,0.00144906);(256.235355,0.00742057);(256.263356,0.00530282);(257.044379,0.00863823);(257.080838,0.00043873);(259.060375,0.00049827);(259.078087,0.00054895);(259.115014,0.00048462);(261.075728,0.00075341);(261.111719,0.00254502);(268.978353,0.00339483);(269.080494,0.00180888);(269.978391,0.00047559);(271.043101,0.0006203);(271.05989,0.02144929);(273.039096,0.12497484);(273.167308,0.00581145);(274.04264,0.01776052);(274.17014,0.00056893);(274.893758,0.00381742);(284.152872,0.00205549);(285.039443,0.0024976);(286.009657,0.00189092);(286.215397,0.00052201);(287.006433,0.00065437);(287.054809,0.01898892);(287.072878,0.00379054);(287.147122,0.0006923);(288.05758,0.00381525);(288.122769,0.00096968);(289.07061,0.00474376);(289.088415,0.00256688);(291.140727,0.00057972);(292.926764,0.00045677);(294.905843,0.00164447);(298.047518,0.00117237);(298.310285,0.01639074);(299.054897,0.00873008);(299.313916,0.00253402);(301.03447,0.00209865);(301.070715,0.0008534);(302.163464,0.00078654);(303.047326,0.00059322);(303.06749,0.00101095);(303.085902,0.00087032);(305.157537,0.00065792);(306.851671,0.00152346);(310.843081,0.002223);(312.83863,0.00675092);(313.070536,0.00200368);(314.073892,0.00113639);(315.049827,0.01472571);(315.067886,0.00102991);(315.177213,0.01925282);(316.055765,0.00185644);(316.176375,0.02910831);(316.904263,0.00311608);(317.065454,0.00183628);(317.083809,0.00317702);(317.12011,0.00205969);(317.178434,0.00111341);(327.826094,0.00126662);(327.966368,0.0016422);(328.227058,0.00182402);(328.262789,0.00235847);(328.833257,0.00061805);(328.962872,0.00106969);(329.065391,0.00585738);(329.192963,0.00910901);(329.223785,0.00053606);(330.20654,0.00623827);(330.242925,0.00109276);(330.278996,0.01108896);(330.315072,0.00114615);(331.062695,0.00992414);(331.154095,0.00194124);(331.261353,0.00169842);(332.052019,0.01423056);(333.058636,0.00206034);(334.843273,0.00282145);(336.838661,0.00710635);(342.833535,0.00062936);(344.828951,0.00136084);(345.05976,0.00105408);(345.151463,0.00336677);(345.187853,0.01957534);(345.224195,0.01726355);(345.251595,0.00143624);(345.294915,0.00854568);(345.334753,0.00102213);(345.976388,0.06908355);(346.063466,0.00536783);(346.135371,0.00048857);(346.16595,0.00119498);(346.195297,0.00570325);(346.221272,0.06543035);(346.274323,0.01316666);(346.311887,0.03101768);(346.330136,0.01217031);(346.349131,0.02241227);(346.973895,0.04627869);(347.075555,0.01261255);(347.094429,0.00351951);(347.129722,0.00528651);(347.147665,0.00406514);(347.167794,0.02807186);(347.203535,0.06448896);(347.227736,0.01652903);(347.271538,0.00480413);(347.305699,0.04120135);(347.351419,0.00534186);(347.95605,0.00075015);(347.974456,0.01024345);(348.090654,0.00049431);(348.170874,0.00362278);(348.201614,0.02748185);(348.253474,0.0046776);(348.289515,0.01970777);(348.307253,0.00296274);(348.327907,0.02120971);(348.361276,0.00116125);(348.933633,0.00051688);(348.972833,0.00094865);(349.075061,0.00942504);(349.183039,1.0);(350.947512,0.0012092)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(51.062776,0.00063483);(51.940683,0.00070092);(53.002976,0.00330915);(53.039358,0.0075108);(55.018629,0.20372846);(55.05501,0.04683361);(56.021949,0.00494444);(56.050232,0.02012084);(56.965562,0.00228536);(57.034283,0.05250911);(57.070654,0.11180302);(58.065906,0.52562319);(58.067264,0.00514259);(58.074017,0.00170554);(59.049903,0.03751995);(59.069196,0.01285583);(59.990998,0.00154301);(60.045135,0.01411598);(60.053185,0.00063247);(61.011431,0.03108979);(62.019232,0.00963358);(62.605696,0.00062686);(62.982428,0.00508409);(62.990697,0.00131579);(63.007251,0.00073282);(63.027111,0.00118091);(63.998457,0.01076991);(65.039315,0.00313846);(67.054978,0.06730869);(68.997848,0.00719394);(69.034175,0.0230218);(69.070588,0.0515391);(70.06582,0.02195376);(71.049834,0.01971019);(71.086199,0.04177468);(72.045035,0.00609819);(72.081418,0.01019477);(73.029054,0.00473861);(73.065418,0.00304635);(74.060679,0.0161741);(74.097016,0.00603057);(75.044653,0.0141786);(77.03956,0.00063685);(78.01403,0.00241509);(78.956231,0.00131509);(79.021858,0.16906913);(79.054839,0.08226638);(80.025156,0.00196375);(80.050007,0.00294282);(80.058181,0.00134383);(81.017605,0.00723948);(81.034057,0.00839537);(81.070476,0.09430473);(82.065775,0.00118444);(82.0738,0.00228474);(82.585597,0.00062101);(83.013336,0.01149318);(83.04971,0.02065889);(83.086114,0.02848004);(84.044851,0.00251302);(84.081297,0.00654623);(85.029003,0.09091136);(85.04014,0.00160255);(85.065307,0.01240529);(85.101698,0.01746282);(86.032384,0.0028941);(86.060558,0.00479269);(86.096947,0.0209848);(87.044624,0.03087169);(87.100287,0.00133953);(88.022088,0.02527957);(88.039569,0.00116782);(88.076192,0.04055088);(89.06025,0.22138255);(89.063218,0.00125705);(89.079541,0.00062623);(90.063581,0.06070915);(91.054736,0.20122948);(91.057879,0.0020247);(91.064348,0.00453045);(92.057982,0.01184104);(92.983287,0.00150881);(92.997558,0.00724173);(93.037281,0.00728779);(93.070359,0.09376804);(94.065452,0.00238305);(94.073662,0.00391726);(95.04966,0.04027533);(95.086008,0.07267945);(96.081266,0.00145043);(96.089296,0.0035067);(97.028753,0.00634028);(97.040036,0.00070729);(97.065198,0.02332894);(97.076548,0.0008252);(97.101606,0.02037811);(98.060434,0.0037875);(98.096807,0.01180485);(98.984632,0.00079906);(99.044371,0.00741816);(99.08085,0.00599131);(99.092105,0.00118992);(100.076071,0.02214549);(101.00356,0.01948627);(101.023823,0.00412914);(101.060132,0.01097069);(102.055431,0.00340415);(102.09161,0.00065263);(103.039347,0.007646);(103.054665,0.01289429);(105.033807,0.00735468);(105.07025,0.12969108);(106.065781,0.00108536);(106.073545,0.00971351);(106.086621,0.00239144);(107.049506,0.03259271);(107.070609,0.0041705);(107.085864,0.06221953);(108.089091,0.00151143);(109.028613,0.00241336);(109.065124,0.02699601);(109.10149,0.03336741);(110.060286,0.00284305);(111.044378,0.01794474);(111.080679,0.01139043);(111.11704,0.00079683);(112.099796,0.02512703);(113.060038,0.16645315);(114.055466,0.001485);(114.063234,0.00949814);(115.039146,0.00435518);(115.054484,0.02907599);(115.07578,0.00438818);(116.053148,0.0492974);(116.057389,0.00080846);(116.062394,0.01193111);(116.070859,0.00761423);(116.107312,0.00255352);(117.070127,0.1069987);(117.215604,0.00066008);(117.979711,0.00063336);(118.073475,0.00613721);(118.086523,0.11355239);(119.016402,0.00144842);(119.049302,0.02248998);(119.085759,0.11690479);(119.090247,0.00343949);(120.081046,0.00176312);(120.089051,0.01459203);(121.028607,0.05787353);(121.03969,0.00061358);(121.065029,0.03172093);(121.101477,0.03406635);(122.031897,0.0029098);(122.081324,0.00118896);(123.044203,0.01131672);(123.080551,0.01277473);(123.116969,0.0091904);(124.039424,0.00773811);(124.075914,0.00149994);(125.023393,0.00396501);(125.059733,0.0055597);(125.096291,0.00658293);(127.075441,0.00140455);(128.062244,0.04849285);(128.963741,0.00068989);(129.054864,0.00342724);(129.069995,0.19714023);(129.075872,0.00197307);(130.065196,0.0027907);(130.073177,0.02050248);(130.07789,0.01384473);(130.086687,0.00075111);(130.159147,0.05386793);(130.952515,0.00067645);(130.97946,0.00485365);(131.049077,0.02099124);(131.085658,0.22654287);(131.162164,0.00068011);(132.088885,0.02053313);(132.093734,0.00211159);(133.064852,0.06257286);(133.085933,0.0225565);(133.101294,0.03947929);(134.068023,0.00232064);(134.089321,0.00872078);(134.104026,0.0006299);(135.044061,0.01918366);(135.080558,0.02154009);(135.110969,0.00066896);(135.116885,0.02770784);(136.061758,0.00338743);(136.075564,0.00063518);(137.059603,0.01632734);(137.096172,0.00436031);(137.132456,0.00231319);(139.075178,0.00400972);(139.111866,0.00138486);(140.958893,0.00158409);(141.06984,0.10070482);(141.090672,0.00082628);(142.077963,0.07373647);(142.157707,0.00066099);(143.033861,0.01308154);(143.049197,0.00083988);(143.085618,0.21482264);(144.088814,0.0187052);(144.101895,0.00964193);(145.028425,0.03448147);(145.064958,0.02706591);(145.101205,0.09879966);(146.10443,0.00650716);(146.974349,0.01986467);(147.043999,0.01325948);(147.080443,0.03625575);(147.116712,0.01540873);(148.083705,0.00433598);(149.059718,0.01870854);(149.096077,0.0128549);(149.132498,0.00366356);(150.040538,0.00873774);(151.038593,0.00071882);(151.075384,0.00292309);(151.111511,0.00161066);(152.061985,0.01017019);(152.106686,0.00063643);(152.142909,0.00076165);(152.989443,0.00240139);(153.069904,0.10239141);(154.07212,0.00170821);(154.078535,0.02863785);(154.083963,0.00060866);(154.969009,0.00066835);(155.085529,0.17587919);(156.064099,0.0006522);(156.087529,0.00419103);(156.094039,0.03839493);(156.138151,0.00185485);(156.905053,0.00062342);(157.049126,0.00062612);(157.064816,0.04643817);(157.10134,0.0838589);(158.07305,0.00616737);(158.104468,0.00437137);(159.043633,0.00241873);(159.080531,0.02267311);(159.116868,0.02260405);(159.969551,0.00122614);(160.989724,0.00164784);(161.024325,0.00066602);(161.059616,0.01239403);(161.096049,0.01398549);(161.132268,0.00591543);(163.038941,0.10991776);(163.074166,0.00620802);(163.111474,0.00310791);(163.147973,0.00082804);(164.042333,0.00694772);(164.92041,0.00692761);(165.069926,0.14394127);(166.077899,0.2748881);(166.086048,0.00194558);(167.033869,0.00216937);(167.080362,0.01832469);(167.086008,0.02207024);(167.143055,0.00084984);(168.093701,0.04634081);(169.012836,0.00413728);(169.064773,0.01514667);(169.101365,0.06412501);(170.07273,0.00282903);(170.104312,0.0059187);(170.291598,0.0006287);(171.02866,0.00741832);(171.044693,0.00066532);(171.080505,0.06381016);(171.116776,0.1660389);(172.083703,0.00101312);(172.12007,0.0222097);(173.059744,0.01263312);(173.096182,0.02663252);(173.132681,0.01078594);(174.136656,0.00072442);(174.148744,0.00481511);(174.934775,0.00584567);(175.075431,0.01533576);(175.111679,0.00373942);(177.054696,0.00894158);(177.089264,0.00386169);(177.127016,0.00144166);(177.964777,0.00064487);(178.078469,0.00131605);(179.085736,0.02789419);(180.093492,0.00330211);(181.064838,0.01077933);(181.101157,0.34874636);(182.07288,0.00380142);(182.104146,0.04717163);(183.044117,0.00076774);(183.080521,0.01885631);(183.117027,0.03399178);(184.08846,0.02810974);(185.059739,0.01520713);(185.096136,0.01830318);(185.132849,0.00298745);(186.669549,0.00066327);(187.039028,0.04229423);(187.075387,0.01121426);(187.111819,0.01304834);(188.937216,0.00200588);(189.054447,0.00295761);(189.091135,0.00566053);(189.126905,0.0026);(190.10737,0.11137634);(191.069921,0.00075598);(191.085805,0.00218144);(191.110361,0.0040993);(192.945458,0.03735619);(194.072595,0.00961743);(194.92476,0.00648927);(195.080197,0.00069644);(195.117326,0.0007924);(196.088256,0.00069377);(197.059828,0.00525632);(197.096208,0.02707715);(198.065745,0.00074188);(198.099756,0.00366967);(199.023714,0.00309451);(199.038897,0.00097367);(199.075469,0.02909204);(199.111737,0.10018385);(200.078885,0.00078168);(200.114975,0.01077996);(201.054568,0.00222603);(201.091147,0.00759754);(201.12716,0.00357076);(203.070153,0.00088449);(203.143066,0.09044741);(203.950627,0.00069339);(205.086212,0.00070692);(206.960884,0.00067095);(206.977884,0.00737429);(207.977918,0.00061307);(208.087822,0.00062283);(209.059865,0.0033578);(209.096089,0.03535452);(210.066737,0.00075171);(210.099149,0.00233527);(210.956092,0.00219235);(211.075473,0.00265997);(211.205732,0.0008364);(212.083875,0.00071878);(212.237385,0.00876335);(212.93533,0.00267784);(213.054177,0.00139757);(213.091307,0.00123233);(214.098884,0.00063352);(214.759552,0.01204559);(215.018514,0.01099124);(215.070298,0.00257018);(215.106864,0.01051497);(215.125628,0.00431676);(217.026775,0.00163774);(217.049298,0.00062621);(217.10443,0.00067304);(217.122378,0.00631321);(219.06485,0.00138823);(219.174337,1.0);(220.177833,0.03269327);(221.062567,0.00334127);(221.481963,0.00064205);(222.899289,0.00069235);(225.054297,0.00218347);(225.090752,0.00583675);(226.216522,0.02937374);(227.070374,0.00414514);(227.106733,0.02876717);(227.20064,0.0059012);(227.219619,0.00352343);(228.110368,0.00197129);(229.033757,0.00073103);(229.049494,0.00692237);(229.085472,0.00078267);(229.122535,0.00065069);(229.143354,0.00481534);(231.028786,0.01079056);(231.065031,0.00082518);(233.042804,0.00070336);(233.11724,0.00068568);(233.891237,0.00430499);(238.913652,0.00061975);(238.968162,0.00191664);(239.03398,0.00519823);(240.232007,0.00158301);(240.909061,0.00245516);(241.049268,0.00063904);(241.086271,0.00092162);(241.195969,0.00064828);(241.235165,0.00477059);(242.238501,0.00969867);(243.065235,0.0006555);(243.085326,0.00068297);(243.101447,0.00158624);(247.906916,0.00071327);(250.894026,0.0018173);(254.247877,0.00639454);(255.028487,0.00489605);(255.231571,0.00211885);(256.235205,0.007272);(256.263174,0.00422178);(257.029487,0.00115571);(257.044151,0.02686482);(257.082516,0.0007052);(264.910012,0.00063262);(268.978435,0.00602274);(269.04442,0.0013401);(269.080301,0.00071416);(269.977818,0.00062043);(271.043617,0.00084135);(271.059875,0.02654513);(273.039175,0.13672248);(273.167037,0.01100352);(274.042773,0.02113975);(274.170236,0.00062187);(274.893136,0.00151141);(275.110197,0.00088616);(282.920305,0.0007859);(284.152954,0.00264076);(285.038602,0.00073311);(286.009469,0.00421531);(286.21655,0.00083777);(287.006702,0.00332988);(287.055325,0.0043658);(287.073195,0.00345728);(288.180662,0.00152395);(288.232427,0.00071304);(289.070692,0.00068451);(291.142354,0.00176385);(294.905963,0.00372051);(298.046839,0.00176517);(298.310175,0.03501393);(299.05316,0.00517063);(299.313154,0.00524835);(301.033653,0.00364148);(302.163747,0.00205384);(303.048674,0.00070694);(306.808035,0.00061073);(310.844017,0.00356538);(312.83899,0.00874693);(315.049866,0.01147903);(315.067566,0.0006609);(315.17786,0.02283682);(316.176216,0.04795044);(317.029647,0.00146968);(325.831072,0.00176314);(327.826154,0.01423559);(327.965591,0.00566114);(328.226091,0.00066201);(328.263112,0.00464611);(329.192957,0.00885722);(330.205841,0.01615291);(330.27874,0.06114364);(330.31446,0.00114157);(331.063377,0.00715434);(331.153024,0.00100412);(331.281257,0.01085214);(332.052369,0.04012675);(333.056167,0.00534112);(342.83336,0.00293373);(344.091478,0.00062593);(344.827901,0.00353371);(345.153107,0.00072561);(345.188237,0.00693942);(345.224011,0.00671752);(345.293336,0.00454673);(345.332089,0.0008015);(345.976307,0.1322142);(346.194201,0.00160751);(346.220945,0.03542176);(346.273722,0.01401379);(346.311168,0.02445346);(346.346871,0.05996222);(346.97393,0.09058698);(347.128871,0.00096111);(347.168093,0.01594719);(347.203712,0.04875216);(347.226228,0.00578595);(347.27212,0.00362849);(347.30588,0.03528844);(347.349317,0.01367964);(347.974669,0.01759296);(348.205682,0.01104367);(348.250007,0.00083112);(348.289192,0.012212);(348.308515,0.00224555);(348.3277,0.00249166);(348.934105,0.0013326);(348.97158,0.00217396);(349.07323,0.00150724);(349.183092,0.80196262)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(51.209841,0.00092355);(51.275773,0.00095149);(51.856718,0.00096598);(51.940755,0.00691703);(52.691237,0.00092617);(53.002965,0.03685334);(53.039367,0.06474892);(53.690532,0.00103919);(55.018624,0.48163204);(55.053586,0.00122249);(55.055008,0.19813402);(55.902294,0.00121005);(55.93514,0.00895114);(56.021963,0.00963858);(56.050255,0.05054191);(56.058332,0.00282276);(56.965549,0.03372338);(57.034293,0.0968631);(57.069153,0.00121932);(57.07065,0.21568265);(58.0659,1.0);(58.074016,0.00782118);(58.186785,0.00097448);(58.984258,0.00098717);(59.049921,0.05861987);(59.069225,0.02877522);(59.99098,0.04299475);(60.045156,0.01664958);(60.280372,0.00093635);(60.360596,0.00091943);(61.011398,0.0793063);(61.029076,0.00115687);(61.172712,0.00092866);(61.905361,0.00091016);(62.01919,0.02950606);(62.982464,0.00495409);(62.990648,0.02098035);(63.998419,0.04708249);(65.039318,0.05540051);(66.047252,0.00092436);(67.018574,0.00601537);(67.054954,0.21250293);(68.050168,0.0032699);(68.058263,0.00538206);(68.943349,0.0038916);(68.997813,0.17654299);(69.034203,0.05908976);(69.07057,0.1184058);(69.854081,0.00089783);(70.001127,0.00104734);(70.029462,0.00351259);(70.065839,0.06736306);(70.073996,0.00111005);(70.706775,0.00093924);(71.012903,0.00097931);(71.03104,0.00092249);(71.049809,0.0399786);(71.086206,0.0495166);(72.045068,0.02450073);(72.081426,0.02138954);(72.928442,0.00121475);(72.93773,0.00531999);(73.029119,0.02385346);(73.065391,0.00339108);(73.477029,0.00089251);(73.716682,0.00104815);(74.060654,0.02902264);(74.097026,0.01887561);(75.044671,0.03621397);(76.440124,0.0010749);(76.712261,0.00089225);(77.005973,0.0009228);(77.039247,0.00391342);(78.014011,0.00696081);(78.770797,0.00096068);(78.967694,0.00406754);(79.021843,0.24886681);(79.054827,0.28973383);(79.3778,0.00089423);(80.021253,0.00096055);(80.025171,0.0057101);(80.050077,0.01594812);(80.058182,0.01427107);(80.629132,0.00095437);(81.017571,0.01948237);(81.034062,0.03281352);(81.070459,0.2169499);(82.065697,0.00990896);(82.073853,0.00714014);(83.013282,0.02779922);(83.049736,0.06140823);(83.086104,0.04729828);(83.836634,0.00101497);(84.044982,0.01415843);(84.08139,0.0187056);(84.300188,0.00115093);(85.029008,0.10239545);(85.040169,0.00537473);(85.065329,0.01564428);(85.101801,0.00933407);(86.060573,0.00586321);(86.097006,0.04123518);(86.349796,0.00096062);(87.044543,0.03141467);(88.02209,0.10592182);(88.039682,0.00147097);(88.076225,0.10909191);(89.060238,0.10658259);(89.838953,0.00116064);(90.0636,0.03360785);(90.948157,0.00488274);(91.054729,0.79485006);(92.050001,0.00210162);(92.058056,0.05144271);(92.402806,0.00121746);(92.983109,0.00372138);(92.997556,0.07153166);(93.034058,0.00613584);(93.037382,0.00577919);(93.057715,0.00486851);(93.070333,0.20076064);(93.805866,0.00107295);(94.065547,0.0123852);(94.073694,0.00573806);(94.962234,0.00117258);(95.046498,0.00285186);(95.049615,0.14724658);(95.06086,0.00105075);(95.086006,0.12846259);(96.044877,0.00417522);(96.052931,0.00379859);(96.081171,0.00605321);(96.089272,0.00541444);(97.028748,0.00728091);(97.040055,0.00366787);(97.065218,0.03794331);(97.076406,0.01128296);(97.101565,0.00908074);(97.593009,0.00094516);(98.060549,0.01018124);(98.096837,0.0147658);(98.984381,0.0024678);(99.008124,0.00110014);(99.044461,0.01380771);(99.728394,0.00099036);(100.076053,0.0195899);(100.112489,0.00311422);(101.00366,0.00113077);(101.023574,0.00126672);(101.060052,0.00256091);(101.783574,0.00110399);(102.046827,0.00139697);(102.342478,0.00097497);(102.948726,0.00222601);(103.039368,0.0024342);(103.054602,0.08380139);(104.058065,0.00297517);(104.062464,0.0030526);(104.995548,0.0009905);(105.03383,0.01769824);(105.045115,0.01929889);(105.070243,0.38509843);(106.06548,0.05453745);(106.073588,0.03204172);(107.049529,0.06844353);(107.073235,0.03061997);(107.085917,0.11047342);(107.950708,0.00104651);(108.080869,0.00471851);(108.958347,0.00192833);(109.028632,0.00788555);(109.065122,0.0558064);(109.076368,0.00095594);(109.101463,0.03950891);(110.060302,0.01193381);(111.044341,0.01879013);(111.080632,0.00804833);(111.092121,0.00244656);(111.816351,0.00101259);(112.076122,0.00112769);(112.099802,0.02440651);(113.023902,0.00352852);(113.060066,0.05875631);(113.697601,0.00146561);(114.055336,0.00098936);(115.039234,0.01351825);(115.054547,0.22880337);(116.053278,0.04770381);(116.05778,0.01724581);(116.062239,0.08634111);(116.0709,0.02184548);(116.107302,0.00181463);(116.160457,0.00115693);(117.065557,0.00814311);(117.070117,0.23807452);(117.979942,0.00520177);(118.041584,0.01479184);(118.06525,0.00712408);(118.073389,0.01271227);(118.077993,0.00271229);(118.086497,0.06077966);(118.94334,0.00117219);(119.033961,0.00116249);(119.045074,0.00556714);(119.049277,0.04921296);(119.073171,0.00231445);(119.085756,0.24549084);(119.090361,0.0033095);(119.951107,0.00109052);(120.045055,0.00097531);(120.081068,0.06439085);(120.088988,0.01792281);(121.028617,0.18977575);(121.039732,0.00162259);(121.064995,0.04809065);(121.08875,0.0164212);(121.1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0117167);(215.10675,0.00102587);(216.958075,0.00113548);(218.190287,0.00649038);(219.174304,0.58036316);(219.66519,0.0010235);(220.086687,0.00497513);(220.098328,0.00352684);(220.178174,0.01153805);(221.062194,0.00359638);(222.898489,0.01207921);(225.054333,0.00151744);(225.532661,0.00105533);(226.216465,0.00615295);(227.082565,0.0010628);(229.031775,0.0014354);(231.02883,0.01267337);(232.20572,0.0058541);(234.363516,0.00111056);(236.915415,0.00121449);(237.635936,0.00098239);(238.913847,0.01191094);(239.033137,0.00117657);(239.069163,0.00125365);(240.909219,0.04804077);(241.085151,0.0011756);(254.096348,0.00350105);(257.044235,0.00769134);(261.040051,0.00126115);(262.238232,0.00111445);(267.086118,0.00095545);(268.604225,0.00107309);(268.978472,0.00340872);(269.978292,0.01580287);(270.956947,0.00252112);(270.97543,0.00530023);(271.059388,0.0012335);(273.038361,0.00268678);(285.815767,0.00564329);(288.042633,0.00114437);(288.968505,0.00109694);(289.03332,0.00481196);(291.364754,0.00111006);(300.822784,0.0085243);(301.033408,0.00105091);(301.544236,0.00094763);(302.283944,0.01262);(302.81825,0.00274375);(310.844159,0.00123269);(314.17727,0.00100969);(315.928928,0.00422327);(316.194548,0.00129951);(317.027647,0.00097707);(323.00602,0.00097878);(325.830906,0.00227104);(327.825768,0.01129509);(327.96572,0.00572914);(330.206379,0.00495225);(330.279164,0.03222073);(331.281347,0.00238103);(333.939563,0.01217709);(334.936365,0.0033319);(342.834141,0.00138434);(345.976227,0.20029147);(346.309919,0.00250564);(346.346556,0.02898945);(346.974029,0.12676343);(347.153503,0.00237697);(347.348584,0.00153578);(347.974395,0.02115083);(348.933523,0.00104752);(348.972911,0.00307066);(349.182928,0.00146308);(351.950666,0.00488327)

Food Sources

	Name	Group
	Globe artichoke	Vegetables, Other vegetables	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Cynaropicrin