PhytoHub: Showing entry for Sesamin

Sesamin

Identification

PhytoHub ID

PHUB001732

Name

Sesamin

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

354.358

Monoisotopic Mass

354.1103383

Chemical Formula

C₂₀H₁₈O₆

IUPAC Name

5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole

InChI Key

PEYUIKBAABKQKQ-AFHBHXEDSA-N

InChI Identifier

InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1

SMILES

[H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2C1=CC2=C(OCO2)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.24e-02 g/l
LogS (ALOGPS): -4.20
LogP (ALOGPS): 2.25
Hydrogen Acceptors: 6
Hydrogen Donors: 0
Rotatable Bond Count: 2
Polar Surface Area: 55.38000000000001
Refractivity: 89.7458
Polarizability: 36.57010665178175
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -3.7750497381707224
pKa (strongest acidic): Not Available
Number of Rings: 6
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: Polyphenols
Class: Lignans
Sub-class: Not Available

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.16893,0.00019211);(50.170652,0.00005978);(50.35204,0.00023808);(50.887313,0.00007458);(50.902628,0.00006672);(50.97818,0.00007763);(52.431893,0.00009474);(52.947506,0.00008963);(54.26727,0.00026736);(55.279821,0.00026586);(55.678672,0.00006996);(56.355694,0.00007727);(56.624443,0.00007981);(57.0332,0.00016013);(57.049365,0.00006131);(57.277191,0.0002438);(58.22011,0.00012707);(58.962263,0.00006035);(58.981648,0.00023092);(59.012401,0.05012903);(59.617748,0.00026896);(59.747862,0.00006985);(60.015803,0.00022504);(61.236948,0.00023021);(61.510853,0.00009261);(61.986905,0.05869613);(62.407591,0.00021691);(62.496057,0.00008971);(62.633287,0.00005673);(62.966633,0.00025154);(63.810854,0.00022639);(63.960998,0.0025291);(64.133417,0.00020289);(64.714774,0.0002328);(65.337111,0.00009025);(65.784146,0.00021659);(66.322154,0.00012133);(66.696456,0.00022215);(67.005146,0.00008447);(67.683059,0.00022225);(67.909519,0.00009526);(68.99666,0.00009226);(69.032964,0.00014088);(69.185694,0.00021229);(70.224451,0.00008754);(70.454045,0.00023026);(70.488486,0.00018843);(70.685026,0.00026418);(70.981501,0.00006251);(71.0124,0.00087149);(71.229332,0.00025216);(71.292394,0.00024714);(71.89848,0.00024232);(72.744104,0.00021965);(72.991705,0.00105595);(73.02791,0.00022168);(73.233066,0.00014221);(74.023345,0.00337598);(74.041397,0.00031196);(74.491258,0.00019768);(74.766339,0.00025849);(74.899396,0.00007165);(74.955515,0.00013134);(75.007295,0.00199585);(75.931117,0.0002518);(75.933945,0.00026062);(76.951046,0.00240271);(78.015307,0.00026766);(78.957529,0.00020456);(78.984462,0.01152923);(79.863081,0.00016997);(79.955906,0.01971692);(80.96372,0.02472006);(80.980116,0.00011199);(82.140469,0.00025708);(83.012506,0.00009457);(83.048764,0.0012696);(83.417304,0.00023923);(85.028188,0.00031847);(85.899895,0.00012775);(86.02353,0.00025729);(87.007271,0.00235152);(87.837413,0.00025003);(88.038881,0.00735647);(89.022998,0.02402538);(90.026384,0.00048014);(92.024743,0.00017119);(92.926564,0.03015449);(93.044441,0.00019685);(93.111431,0.00023383);(93.241804,0.00026583);(93.266513,0.0001275);(93.953091,0.00022178);(94.920219,0.00015166);(94.923604,0.01441069);(94.979412,0.07938358);(96.055969,0.00023314);(96.760306,0.00023164);(96.942432,0.00008672);(96.958681,0.18534654);(96.975112,0.00021391);(97.028007,0.00024093);(97.79545,0.00028882);(97.957931,0.00022577);(98.95445,0.00755719);(98.962895,0.00030806);(99.007425,0.00038454);(99.901391,0.00018395);(101.023219,0.00010653);(101.177063,0.00009394);(101.979569,0.00006501);(103.025246,0.00024809);(103.712782,0.00021291);(104.033913,0.00397604);(104.54891,0.00019128);(105.852778,0.00026116);(106.332526,0.00024274);(108.995247,0.00025395);(109.957536,0.00052221);(110.956636,0.003057);(110.974398,0.00335657);(111.044168,0.00008779);(112.935941,0.00222019);(113.022923,0.00019553);(113.434352,0.00024929);(113.688897,0.0002548);(114.022933,0.00091352);(114.054684,0.00087967);(114.265632,0.00007138);(114.477168,0.00025673);(115.019534,0.00613784);(116.070397,0.00193096);(116.373123,0.00009809);(116.971158,0.00086646);(117.195507,0.00026438);(117.373219,0.00012349);(117.648694,0.00010323);(118.065533,0.0000743);(118.940452,0.00014812);(119.044473,0.00084919);(119.048858,0.05929584);(119.94561,0.01875975);(120.052217,0.00316194);(120.125437,0.00019783);(120.292917,0.00021895);(121.028107,0.00071832);(121.332452,0.00006579);(121.619397,0.00012792);(121.942692,0.00105469);(121.990388,0.0201643);(122.974397,0.01089506);(123.986284,0.00064632);(124.935261,0.00010394);(125.871861,0.00065988);(126.889065,0.00011463);(126.951534,0.00244376);(127.038508,0.00026079);(127.050009,0.0002131);(127.868721,0.00026183);(128.033988,0.00979553);(129.054386,0.00008184);(129.341692,0.00021846);(130.024309,0.00008062);(130.086018,0.00203174);(131.081303,0.00018978);(133.064721,0.00141754);(134.917932,0.00932984);(135.04385,0.00172733);(136.200145,0.00007468);(136.913869,0.00026973);(136.943256,0.00010379);(137.023298,0.00006673);(137.034366,0.00163333);(138.95169,0.00161734);(139.038746,0.00006284);(140.363424,0.0001437);(145.028325,0.00084194);(147.85114,0.00022117);(148.530476,0.00012975);(148.933536,0.0012001);(149.001348,0.00093997);(150.016199,0.00011848);(150.885354,0.00026966);(150.892136,0.00009544);(151.958005,0.0000662);(151.96819,0.00059259);(152.938156,0.010315);(154.061783,0.00011135);(154.934981,0.00148711);(154.946522,0.0000755);(155.081265,0.00141321);(156.908078,0.00509207);(157.096927,0.00176418);(159.016135,0.00006929);(160.840779,0.00023397);(162.837597,0.00017029);(162.948994,0.00027033);(165.09099,0.00337879);(167.033191,0.00084936);(168.026981,0.00016136);(170.983485,0.00221793);(171.026495,0.00041746);(171.101592,0.00063358);(172.132764,0.00041384);(172.95698,0.00040798);(172.979466,0.00159896);(173.044285,0.00025982);(174.991682,0.00007779);(175.97516,0.00008026);(176.899524,0.02171858);(177.018714,0.00010101);(178.896668,0.00464415);(179.033747,0.00259075);(179.957545,0.00061766);(180.90595,0.00121929);(183.011571,0.00852417);(184.019334,0.00082779);(186.955385,0.00195801);(188.04368,0.00018105);(188.110456,0.00007972);(189.091045,0.00195652);(189.766639,0.00023975);(189.805648,0.00018339);(189.978562,0.00021492);(190.062372,0.00109885);(190.980553,0.0003838);(190.998828,0.00020216);(191.055201,0.01956124);(193.159286,0.00008255);(194.117942,0.0002562);(194.92769,0.00009669);(194.938966,0.00023147);(194.952723,0.00007084);(195.138171,0.00058257);(196.141209,0.00013256);(197.026781,0.01106153);(197.153576,0.00014633);(198.02201,0.00007903);(198.0346,0.00592087);(199.006783,0.00008054);(199.169103,0.00010636);(200.943973,0.00053972);(202.047931,0.00014253);(204.929857,0.00055069);(205.051171,0.00007517);(205.893316,0.00013327);(207.10185,0.00016315);(207.729874,0.00021646);(207.967072,0.00012585);(208.976844,0.00035432);(209.891953,0.00008157);(210.805595,0.00026726);(210.900095,0.00013513);(210.916804,0.00102791);(210.934507,0.00371869);(211.043405,0.00057158);(211.953368,0.00272413);(212.950039,0.0004955);(214.649604,0.00543909);(215.963053,0.00061302);(218.057955,0.00514802);(221.026468,0.00055042);(221.153914,0.00046693);(221.991236,0.00015711);(223.027828,0.00114105);(223.83917,0.00014635);(223.997051,0.00036948);(224.027319,0.0001402);(224.995746,0.00056676);(225.006977,0.05013036);(225.221943,0.00007674);(226.007043,0.00570703);(226.893742,0.00092419);(226.911781,0.01791153);(226.986252,0.00891985);(227.003718,0.00094754);(227.200729,0.00043303);(228.007245,0.00007214);(228.907446,0.00030034);(228.965485,0.01541867);(230.024263,0.00027671);(233.081334,0.02784794);(234.085234,0.00155858);(234.858699,0.0086769);(236.09534,0.00937725);(236.855598,0.00884717);(236.911543,0.00732833);(236.985521,0.00123063);(242.175108,0.00011928);(242.906683,0.00009327);(243.017536,0.00111193);(244.015559,0.00007333);(247.097217,0.00057341);(250.942087,0.00104293);(251.092398,0.00040251);(251.130994,0.00052624);(251.846433,0.00024034);(252.072958,0.00019434);(253.217043,0.00059053);(254.220455,0.00009051);(254.906245,0.00014047);(255.105725,0.00021653);(255.23262,0.06211402);(256.236013,0.00977048);(258.819005,0.00008073);(260.909647,0.00007474);(263.001355,0.06578134);(264.004211,0.00401475);(264.157837,0.00032973);(264.998223,0.02122748);(265.015518,0.00415987);(265.147289,0.00013424);(266.150879,0.00912492);(266.951871,0.00926512);(266.997278,0.0014208);(267.015159,0.00193916);(267.127571,0.00006829);(267.14265,0.00794189);(269.043967,0.00011551);(269.081734,0.00028538);(269.121451,0.0277902);(269.137604,0.00008925);(269.212488,0.00099756);(269.248415,0.01839123);(270.003295,0.00010027);(270.124994,0.00294402);(270.251707,0.00394852);(271.115558,0.0000813);(271.227391,0.00264866);(272.230662,0.00012592);(272.911559,0.00015694);(273.076282,0.00012646);(274.902799,0.00018383);(275.898345,0.00051463);(276.099087,0.00011853);(276.847098,0.00022453);(276.904616,0.00008101);(279.16315,0.0005619);(281.247785,0.00022981);(282.994748,0.03743483);(283.06129,0.00036523);(283.263892,0.02312596);(283.995088,0.00243922);(284.267207,0.00612977);(291.195097,0.00008645);(291.948509,0.00210594);(293.178923,0.05719864);(294.182126,0.01625579);(294.870613,0.00048341);(294.990405,0.00062112);(295.060765,0.00328976);(295.137348,0.00294877);(295.157273,0.00191431);(295.174471,0.00174309);(297.046398,0.00011467);(297.152515,0.09132947);(298.047577,0.00021483);(299.025925,0.10608264);(299.887376,0.00118205);(300.026259,0.0205507);(301.005124,0.00912554);(301.023781,0.00667112);(302.663431,0.00028028);(309.009068,0.00038097);(309.315377,0.00228673);(317.898011,0.00099197);(319.471793,0.00007725);(334.986347,0.00137553);(335.82785,0.00016824);(336.984574,0.00020083);(342.050002,0.00008746);(351.199234,0.02058045);(351.22054,0.18234341);(351.326245,0.00130195);(352.202457,0.00782436);(352.223994,0.06173639);(352.997465,0.00149715);(353.139175,0.00386884);(353.146456,0.00556227);(353.1966,0.1867746);(353.218184,1.0);(353.342015,0.13476197);(354.142467,0.00014909);(354.221137,0.21018473);(354.345286,0.02869994);(355.157676,0.0014059);(355.193046,0.01820117);(355.216046,0.01107331);(355.321168,0.00353896)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.658407,0.00049175);(50.692334,0.00069611);(50.726668,0.00045076);(51.065577,0.00016195);(52.040281,0.00011785);(52.168319,0.00050954);(52.214542,0.00015851);(52.321045,0.00015954);(52.849871,0.00042558);(53.194784,0.00043011);(53.41308,0.00049682);(53.443648,0.00035626);(53.46101,0.0001284);(54.058741,0.00039919);(54.207103,0.00044124);(54.331603,0.00047735);(55.239833,0.00035935);(55.409232,0.00041911);(56.480738,0.00016846);(56.572381,0.00014976);(56.793549,0.00039689);(56.928014,0.00016389);(57.03302,0.00046564);(57.310507,0.00043547);(58.687923,0.00051911);(59.012389,0.0589746);(59.014208,0.00006967);(59.129557,0.0001257);(59.182038,0.00039647);(59.851886,0.00014927);(60.015696,0.000129);(61.967928,0.0006035);(61.986905,0.0850532);(61.9889,0.00008793);(63.242779,0.00040207);(63.382197,0.0005711);(63.960984,0.00588475);(64.132254,0.00044631);(64.356868,0.00032429);(64.951,0.00015481);(64.968785,0.00107824);(65.285368,0.00011423);(65.311692,0.00047629);(65.511146,0.00062155);(65.627471,0.0005694);(66.730391,0.00012437);(67.556914,0.00015997);(68.78679,0.00059821);(68.918866,0.00012237);(69.40663,0.00058212);(70.077536,0.00012808);(71.012333,0.0017343);(71.193336,0.0001647);(72.99161,0.00098914);(73.810714,0.00054701);(74.023263,0.0106278);(75.00722,0.00188935);(75.568107,0.0005771);(76.36383,0.00059153);(76.446477,0.0001883);(76.950943,0.00483569);(76.971118,0.000367);(77.950533,0.00032305);(78.641972,0.0001802);(78.957503,0.00053368);(78.982061,0.00017508);(78.98446,0.01355672);(79.129844,0.00053199);(79.300603,0.00014195);(79.364695,0.00013435);(79.66676,0.00016866);(79.953318,0.00102532);(79.955884,0.08366794);(80.619066,0.00057599);(80.963743,0.04192668);(81.033022,0.00014757);(81.951671,0.00176247);(82.959471,0.00101764);(83.048846,0.00041574);(83.225454,0.00016092);(83.712149,0.00044883);(84.897756,0.00062112);(85.027936,0.00067667);(86.023223,0.00162468);(86.487607,0.00055815);(87.007245,0.00191618);(87.019195,0.00060941);(87.066711,0.00061646);(87.357236,0.00014044);(87.895034,0.00015724);(88.038883,0.01133246);(89.023004,0.02511852);(90.026299,0.00076161);(91.397657,0.00013657);(92.317269,0.00056779);(92.379405,0.00014201);(92.926608,0.03711599);(93.03304,0.00020663);(93.044303,0.0008885);(94.611595,0.00013187);(94.648749,0.00011811);(94.85237,0.00056345);(94.923648,0.01651206);(94.926822,0.00045858);(94.979443,0.11803892);(95.147717,0.00041185);(95.950847,0.00194982);(96.830404,0.00053883);(96.941107,0.00152832);(96.95867,0.72881397);(96.975405,0.00257974);(97.028062,0.0002331);(97.064695,0.00019775);(97.958163,0.00387322);(98.954478,0.0350013);(98.962931,0.00330779);(99.391522,0.00047113);(99.709183,0.00013562);(100.703862,0.00057604);(101.875023,0.00036071);(103.071809,0.00015666);(103.583791,0.00064757);(104.033904,0.00451088);(106.275514,0.00016941);(108.324013,0.00013814);(108.692471,0.00042684);(108.994954,0.00071396);(110.956582,0.00209843);(110.974447,0.0026811);(112.573921,0.00039375);(112.682318,0.00040879);(112.935901,0.00180796);(114.022766,0.00016177);(114.054678,0.00044227);(115.019431,0.00589975);(115.49405,0.00042448);(116.070546,0.00050487);(116.971658,0.00020769);(118.940753,0.003626);(119.048889,0.08342966);(119.945616,0.01513731);(120.05245,0.00245572);(121.028215,0.00022163);(121.990344,0.02958369);(122.512359,0.00019043);(122.974378,0.04597848);(123.943405,0.00058632);(123.986218,0.0017171);(124.829058,0.00046501);(126.77285,0.00044169);(126.951368,0.00158704);(128.034015,0.01469981);(129.672283,0.00060246);(130.086143,0.00156065);(130.942539,0.00025507);(131.081591,0.00045591);(131.320949,0.00061148);(133.064769,0.00229198);(133.326302,0.00055675);(134.360511,0.00057779);(134.917944,0.02793419);(135.043832,0.00331619);(137.02373,0.00032655);(138.951648,0.00075756);(140.794491,0.00014378);(147.544039,0.00037432);(148.933436,0.00074791);(149.797996,0.00036592);(149.952675,0.00286095);(150.015971,0.00060575);(150.987586,0.00293607);(151.292276,0.00059407);(151.968132,0.00060792);(152.938344,0.00660167);(154.011669,0.00018547);(154.061698,0.00035511);(154.935336,0.000276);(154.946529,0.00065249);(155.081647,0.01321551);(156.908628,0.00103889);(157.097313,0.00491034);(162.949231,0.00145098);(163.002517,0.00118342);(163.039,0.00012433);(165.091151,0.00285578);(166.086489,0.00015765);(166.371509,0.00037901);(167.033419,0.00078256);(168.635345,0.00043822);(170.003426,0.00378963);(170.983696,0.00493761);(171.10205,0.00016447);(172.979312,0.00245189);(173.269417,0.00034112);(175.002674,0.00364021);(176.899726,0.02283237);(177.018686,0.00015165);(177.331429,0.00060542);(177.348551,0.00042611);(178.261875,0.00036899);(178.702245,0.00056908);(178.896571,0.00689331);(178.946006,0.00016119);(179.034793,0.00050041);(179.299512,0.00015981);(179.7855,0.00061385);(183.011075,0.12092237);(184.01925,0.02055594);(185.006844,0.00019748);(186.550456,0.00016626);(186.955693,0.0002362);(188.043836,0.000178);(189.054906,0.00073772);(189.091521,0.00124526);(189.450562,0.00046579);(190.06305,0.00064836);(190.980483,0.00036295);(191.055062,0.01765054);(191.066051,0.00012973);(194.858888,0.00016557);(195.138342,0.00027575);(197.02683,0.13466809);(198.035053,0.06940415);(199.006271,0.00019637);(199.023635,0.00017141);(199.03853,0.00347982);(203.034122,0.00039424);(206.603506,0.00068516);(208.975817,0.01383933);(209.079432,0.00014328);(210.075569,0.00065426);(210.90075,0.00026939);(210.934503,0.00257692);(210.955449,0.00223214);(211.043084,0.01093368);(211.953923,0.00999711);(212.050575,0.00293512);(213.950688,0.00080975);(214.642873,0.00902104);(214.653534,0.00964373);(215.738243,0.00059676);(216.00957,0.00061258);(216.995525,0.00038475);(218.057938,0.00168755);(218.591474,0.00063865);(219.010621,0.00072776);(219.400187,0.00019526);(221.15456,0.00017012);(223.0281,0.00054413);(223.996202,0.0001888);(225.006959,0.06071963);(225.058623,0.00452659);(225.221966,0.00056239);(226.007543,0.00520266);(226.066132,0.00059402);(226.912443,0.00581659);(226.986665,0.00602381);(227.004486,0.00016999);(228.154989,0.0001942);(228.952495,0.00040168);(228.965773,0.01421385);(230.025178,0.01361982);(233.082027,0.00353951);(234.859486,0.00063048);(236.095528,0.00177668);(236.854601,0.00136513);(236.912183,0.00192599);(239.074433,0.00238036);(241.087473,0.00018272);(243.018296,0.00052045);(244.042168,0.00016691);(244.202304,0.00073118);(250.948674,0.00017925);(253.090408,0.00252977);(254.096875,0.00054528);(255.143971,0.00015137);(255.232613,0.04199877);(256.235877,0.00496599);(260.284965,0.00048235);(260.986162,0.00057005);(262.82822,0.00069738);(263.001324,0.04231054);(264.999047,0.01086636);(265.015381,0.00085347);(266.151852,0.00443225);(266.964833,0.00168548);(267.107248,0.00199912);(267.143911,0.0035945);(267.246748,0.00040544);(269.121489,0.03084657);(269.212845,0.00026153);(269.248546,0.0096221);(270.125465,0.00243199);(270.253252,0.00142393);(271.228629,0.00123377);(271.803516,0.00013879);(273.953476,0.00047873);(274.905415,0.00049544);(282.994682,0.06795778);(283.263896,0.01296115);(283.892242,0.0004459);(283.995093,0.00679317);(284.268213,0.00231307);(284.976032,0.00017236);(284.992584,0.00020626);(289.253994,0.00024842);(290.257729,0.00013878);(291.949755,0.0001921);(293.178805,0.04207381);(294.183024,0.00917126);(295.0619,0.00183652);(295.138367,0.00317236);(295.175069,0.00090762);(297.134929,0.00094554);(297.152703,0.10458314);(299.025923,0.03572925);(299.888168,0.00171303);(300.027362,0.00232459);(301.005594,0.00943785);(301.0241,0.00022904);(302.005797,0.0001576);(309.316627,0.00133188);(320.275262,0.00047554);(329.34854,0.00057463);(334.134449,0.00070248);(338.283714,0.0001795);(351.199691,0.01802005);(351.220834,0.10474483);(352.202921,0.00710617);(352.224484,0.03390709);(353.216856,1.0);(353.341832,0.05448922);(353.960499,0.00016398);(354.219959,0.21159384);(354.346444,0.00786945);(354.463719,0.0004969);(355.158746,0.00064124);(355.194045,0.00798679);(355.214883,0.01010277)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.705636,0.00042531);(52.320745,0.00012056);(52.617508,0.00060753);(52.727492,0.00045737);(53.31781,0.00034797);(53.346284,0.00013471);(53.923247,0.00011504);(53.968564,0.00046698);(55.686233,0.00035276);(55.722179,0.00011234);(56.010688,0.00051067);(56.711951,0.00051935);(57.033277,0.00029846);(57.288983,0.0006218);(57.473189,0.00054808);(57.643848,0.00012923);(59.012395,0.05292638);(59.717066,0.00039013);(59.937401,0.00010999);(60.015717,0.0001585);(60.277644,0.00041022);(61.166367,0.00054872);(61.9869,0.08919632);(63.276885,0.00013436);(63.451773,0.00014085);(63.960978,0.01605012);(64.392884,0.00048794);(64.951163,0.00042931);(64.96881,0.0056445);(65.001819,0.00198569);(65.956755,0.00048815);(66.004613,0.0003543);(67.203372,0.00059016);(67.416597,0.00034599);(67.675949,0.00044316);(68.996738,0.00024269);(69.033044,0.00051566);(69.289007,0.00013014);(70.939812,0.00042454);(71.012395,0.00345315);(71.277449,0.00018024);(71.314912,0.00041484);(71.555495,0.00032984);(72.007623,0.00051118);(72.66609,0.00034098);(72.905413,0.00240258);(72.969669,0.00035695);(72.991649,0.00089588);(73.335395,0.00048244);(73.339116,0.00047184);(73.66896,0.00039279);(73.996382,0.00038886);(74.023294,0.02353098);(74.124562,0.00055634);(74.500598,0.00016949);(74.989349,0.00133442);(75.007348,0.00103623);(75.538622,0.00041806);(76.673941,0.00055746);(76.939585,0.00011296);(76.951036,0.00827243);(76.968572,0.000167);(77.253541,0.00064031);(78.957684,0.00092026);(78.984468,0.00911453);(79.93823,0.00016145);(79.955915,0.29739418);(80.113098,0.00045939);(80.157478,0.00034508);(80.190607,0.00045718);(80.617582,0.00011484);(80.963747,0.05199984);(80.976743,0.0001681);(81.033148,0.00014029);(81.039373,0.00035908);(81.533869,0.00016554);(81.933713,0.00059441);(81.951682,0.01191872);(83.012357,0.00022931);(83.04886,0.00024462);(83.949172,0.00064123);(84.135784,0.00017353);(84.726322,0.00016074);(85.028072,0.00221654);(85.341036,0.00052846);(86.023243,0.00969724);(87.007388,0.00149664);(87.744316,0.00034368);(88.038897,0.01039119);(89.001668,0.00044668);(89.022999,0.015216);(89.588858,0.00038949);(91.919542,0.00057565);(92.727569,0.00061449);(92.926599,0.02313307);(92.999988,0.00086207);(93.033103,0.00214305);(93.04439,0.0015388);(94.019641,0.00059343);(94.09716,0.00044609);(94.923603,0.01297461);(94.979395,0.11862495);(95.012522,0.00031844);(95.932306,0.00041913);(95.950873,0.05220983);(96.086478,0.00060471);(96.551359,0.00066008);(96.940867,0.00265794);(96.958673,1.0);(96.975761,0.00242236);(97.943215,0.00012097);(97.946562,0.00014146);(97.958079,0.0054843);(97.963005,0.00018988);(98.954484,0.0551207);(98.962875,0.00729064);(100.038948,0.00220242);(100.520493,0.00033982);(100.99639,0.00044876);(101.201197,0.00053787);(102.940385,0.00012862);(102.945674,0.0017702);(103.179057,0.00035283);(104.033822,0.00094259);(106.053089,0.00034684);(106.979629,0.00015799);(107.135848,0.00015921);(108.020558,0.00020809);(109.028243,0.00021992);(109.356018,0.00038532);(110.867883,0.00032682);(110.956673,0.00073265);(110.974461,0.00179642);(112.572727,0.00017386);(112.935845,0.00063588);(113.50988,0.00017398);(114.054813,0.0003695);(114.651311,0.00017656);(114.740572,0.0001585);(114.815076,0.00018397);(115.019571,0.004949);(115.927577,0.00012674);(115.977647,0.00038226);(117.033294,0.00040146);(118.940794,0.00661874);(119.048852,0.08689965);(119.945556,0.00259694);(120.034341,0.00054963);(120.052223,0.00407901);(120.359623,0.00011772);(121.028186,0.00033816);(121.990395,0.02637021);(122.974449,0.02833383);(123.044071,0.00015739);(123.687242,0.00068796);(123.782843,0.00014636);(123.986256,0.0050643);(123.994322,0.00051888);(125.440524,0.00065659);(126.054704,0.00013683);(126.47457,0.0006559);(126.951672,0.00015271);(127.296409,0.00044219);(128.034035,0.00589254);(129.065523,0.00082495);(130.085909,0.00041951);(130.485496,0.00033923);(130.942577,0.00020145);(131.012139,0.00090262);(133.06467,0.01039462);(134.917885,0.03530773);(135.043805,0.00482963);(136.30917,0.00057647);(136.913555,0.00080764);(138.969394,0.00069822);(140.308769,0.00047156);(142.888507,0.00048609);(145.028587,0.00018027);(145.063381,0.00012423);(147.94511,0.00017986);(149.008247,0.00068702);(149.618227,0.00049704);(149.952658,0.00622357);(149.960517,0.0004076);(150.4261,0.00047963);(150.987578,0.01800125);(151.949752,0.00071268);(152.916471,0.00026944);(152.966964,0.00090447);(154.946224,0.00084515);(155.081298,0.00471177);(155.100361,0.00056424);(155.987527,0.00366703);(156.180436,0.00043482);(157.09656,0.00058395);(158.733267,0.00045034);(159.044009,0.00081359);(161.767728,0.0001631);(162.949213,0.00018054);(163.002244,0.00155484);(166.46758,0.00057019);(166.909672,0.00047808);(167.00064,0.00048757);(167.382219,0.00054913);(169.924382,0.00048629);(170.003388,0.02139926);(175.002616,0.00660884);(175.039048,0.00019888);(176.032501,0.00012315);(176.680913,0.00068175);(176.89957,0.00235694);(176.927351,0.00016797);(179.41347,0.00012211);(183.011037,0.52590688);(183.174158,0.00058554);(184.01839,0.02895422);(185.006892,0.0038985);(189.055272,0.00101832);(191.055212,0.00266113);(195.932682,0.00063777);(197.026842,0.77019053);(197.075778,0.00079766);(198.035401,0.10607704);(199.00605,0.00290757);(199.022555,0.0071201);(199.038236,0.0050361);(200.030439,0.00017425);(202.29654,0.00057619);(207.092192,0.00037298);(207.989946,0.00017374);(208.975582,0.05394497);(209.97526,0.00336306);(210.524859,0.00038396);(210.903296,0.00016097);(210.934236,0.00013201);(210.95471,0.01371127);(211.042661,0.04243185);(212.04779,0.00042338);(212.934006,0.0002062);(212.952764,0.00015608);(214.426943,0.00057584);(216.009046,0.00283779);(217.050079,0.00017217);(220.135601,0.00280808);(220.147089,0.00103288);(223.028403,0.00014938);(225.006903,0.01338443);(225.058419,0.0212905);(225.368027,0.00056914);(226.986504,0.00039246);(230.024808,0.02941192);(231.028312,0.00033035);(239.074251,0.01812509);(239.085822,0.00044312);(242.365279,0.00018509);(244.840905,0.00045059);(250.94698,0.00017479);(252.186256,0.00057518);(253.089954,0.02043181);(254.093632,0.00068402);(255.231261,0.00020351);(266.962976,0.01022742);(267.105684,0.01410599);(268.944256,0.00016402);(269.121402,0.0049131);(271.770042,0.0004844);(281.12077,0.00235314);(282.994863,0.01440152);(283.361659,0.00047082);(284.973987,0.00035207);(286.39237,0.00018336);(286.743109,0.00056644);(293.306865,0.00050207);(293.81897,0.00054025);(295.137387,0.00245453);(297.152859,0.02208582);(302.875161,0.0004205);(309.151077,0.00050025);(315.592659,0.00041142);(319.545087,0.00013595);(323.166958,0.0007758);(325.145814,0.00017982);(337.184188,0.00143342);(351.199613,0.00168469);(352.202059,0.00045016);(353.215535,0.07571293);(354.218598,0.01518165);(355.93358,0.00040515)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(55.018633,0.00099105);(55.054942,0.02881437);(56.050171,0.00394475);(57.03422,0.01291114);(57.070595,0.07785156);(58.02409,0.00137229);(58.065847,0.01032717);(58.07389,0.0024505);(59.049857,0.01707437);(59.061094,0.00115576);(60.045121,0.00323647);(61.011279,0.01647601);(61.040311,0.00094837);(62.019177,0.02202278);(62.060733,0.00169935);(62.982424,0.00857);(62.990398,0.00419241);(63.026992,0.0212804);(67.054887,0.04400176);(68.058253,0.0026188);(69.03419,0.00250267);(69.070527,0.07309741);(70.065743,0.01932168);(70.07385,0.00254067);(71.049799,0.01972908);(71.086156,0.05831069);(71.982677,0.00259147);(72.04503,0.00462001);(72.081394,0.0134479);(72.08951,0.00196083);(73.02897,0.00169456);(73.047402,0.15285905);(73.065397,0.00196117);(74.046985,0.00436897);(74.050755,0.00204645);(74.060698,0.00197032);(74.097054,0.00541747);(75.026693,0.007332);(75.04436,0.00161212);(76.039889,0.00385544);(78.956198,0.00081598);(79.021683,0.03961365);(79.054781,0.00906766);(80.948388,0.03088249);(81.000799,0.00883447);(81.034035,0.00116458);(81.070424,0.08375934);(82.065643,0.00120364);(82.073724,0.00686165);(82.945444,0.00649603);(83.022128,0.00126029);(83.04968,0.00559761);(83.086071,0.07383262);(84.044931,0.00198148);(84.081306,0.00648319);(84.089392,0.00459113);(85.028934,0.00218904);(85.04013,0.00777304);(85.065315,0.01278332);(85.101637,0.02414525);(86.060529,0.00371286);(86.096937,0.01179303);(87.044554,0.01708373);(88.039759,0.00108855);(88.07618,0.0020123);(89.060177,0.03203013);(90.055383,0.00135616);(90.063602,0.00129901);(90.091739,0.0022569);(91.057802,1.0);(92.057358,0.03932939);(92.06111,0.02548565);(93.037052,0.02539674);(93.054619,0.01464185);(93.070273,0.02233997);(94.073706,0.00117406);(95.016278,0.00460211);(95.049511,0.00537384);(95.060775,0.0036158);(95.085895,0.09712792);(96.081166,0.00110078);(96.089235,0.01063524);(96.922184,0.01425613);(96.99555,0.00178925);(97.040004,0.00217789);(97.065146,0.01236793);(97.101546,0.06520759);(98.060413,0.00351747);(98.096751,0.0059523);(98.104911,0.00333649);(98.919356,0.00345842);(99.044386,0.00703087);(99.08082,0.02023805);(99.09196,0.0034317);(100.076024,0.01436469);(100.112395,0.00345609);(101.003557,0.00763019);(101.060001,0.00824725);(101.09633,0.00138685);(102.055229,0.00369834);(103.039216,0.00223834);(103.075645,0.02506409);(104.107329,0.00153197);(104.992657,0.00221878);(105.033788,0.00575913);(105.070122,0.00611248);(105.073411,0.05167017);(106.072881,0.00069003);(107.049283,0.00587814);(107.052802,0.00783714);(107.070569,0.00549666);(107.085768,0.02425052);(107.967067,0.0026675);(108.089172,0.00113374);(109.068355,0.01671537);(109.10139,0.06193317);(110.060016,0.00073626);(110.071502,0.00918022);(110.096555,0.00202241);(110.104658,0.0066059);(111.044215,0.00283874);(111.055463,0.00107284);(111.080581,0.01049396);(111.116987,0.02545083);(112.075939,0.00792776);(112.112294,0.00081316);(112.120422,0.00067033);(112.896044,0.00385999);(113.059963,0.00310031);(113.096282,0.00691283);(114.055101,0.00334725);(114.073523,0.00266409);(114.091404,0.00211639);(114.893316,0.0007713);(115.075484,0.00230741);(115.086749,0.01243282);(116.053001,0.00492684);(116.070742,0.01332849);(116.107087,0.00583036);(116.986166,0.00079426);(118.086376,0.00075572);(119.085626,0.01418748);(120.003326,0.00123609);(121.039756,0.01153963);(121.06487,0.01830046);(121.10129,0.02491661);(122.096557,0.00070861);(122.104618,0.00216061);(123.080458,0.00658561);(123.116903,0.03567731);(123.940911,0.00133968);(124.120165,0.00314031);(124.964571,0.00175179);(125.096152,0.00967549);(125.132605,0.00388875);(126.055023,0.00110493);(126.09133,0.00102841);(127.038934,0.00129906);(127.075513,0.00115493);(127.111694,0.00866806);(128.070545,0.0024166);(128.107021,0.00140237);(128.143537,0.00198815);(129.054635,0.00383227);(129.091022,0.00099508);(130.04992,0.00269287);(130.085966,0.00066356);(130.159072,0.0052983);(131.085578,0.00206655);(132.987086,0.00070096);(133.085833,0.01009576);(133.101047,0.01667577);(134.104536,0.00074937);(134.978719,0.0040703);(134.996641,0.00232626);(135.002776,0.00759406);(135.043956,0.01824459);(135.080337,0.00324269);(135.116805,0.02076984);(136.047241,0.00346786);(136.075665,0.00225242);(136.120023,0.00121271);(137.059582,0.00100437);(137.096024,0.00798517);(137.132355,0.01440762);(138.091251,0.00123127);(138.127512,0.00163118);(139.050122,0.01397873);(139.075217,0.00253013);(139.111531,0.00707526);(140.106773,0.00100615);(140.959144,0.01672497);(141.101931,0.00123493);(141.127246,0.01235544);(142.122493,0.00302875);(142.158888,0.01078523);(142.938484,0.01660091);(143.081293,0.02730669);(143.106591,0.00102256);(144.080486,0.00169887);(145.049279,0.00430435);(145.101008,0.0042947);(147.080625,0.00083989);(147.116658,0.01439888);(148.119851,0.00136907);(148.925443,0.00123539);(149.022964,0.00148823);(149.095946,0.00171822);(149.107373,0.00127443);(149.132437,0.0137052);(150.013621,0.00196887);(150.135465,0.00102003);(151.075249,0.00085314);(151.111574,0.00679803);(151.147948,0.00733201);(151.943433,0.00216976);(152.106891,0.00086239);(152.989146,0.01452342);(153.090861,0.0078783);(153.101882,0.00115775);(153.127284,0.00463661);(154.094084,0.00244889);(154.122468,0.00467258);(154.96842,0.00281371);(155.142884,0.01151274);(156.07662,0.00757259);(156.138109,0.00481702);(156.93318,0.00222498);(156.95405,0.00112878);(157.096748,0.00297742);(159.116606,0.00438077);(160.060176,0.02405056);(161.095758,0.00148018);(161.132238,0.0112168);(162.95149,0.00093573);(163.038696,0.00166682);(163.111448,0.0008126);(163.147861,0.00944098);(164.046526,0.00230777);(164.920383,0.03179918);(164.928583,0.00091377);(165.090845,0.01167118);(165.127262,0.00376198);(165.16326,0.00265779);(166.086206,0.00078108);(167.117715,0.00383402);(167.142895,0.00119933);(168.138246,0.00379146);(169.158219,0.00177025);(169.954025,0.00429367);(170.117444,0.00112096);(170.953994,0.00134865);(170.999762,0.00134056);(173.078464,0.00096367);(173.132084,0.00124441);(175.111656,0.00109833);(175.147911,0.00802436);(177.061101,0.00075649);(177.127368,0.00068809);(177.163617,0.00231764);(179.033642,0.26042699);(179.106308,0.00091724);(179.142755,0.00162749);(179.179261,0.00087307);(179.954013,0.00435343);(179.970077,0.00193807);(180.036983,0.02268801);(180.894319,0.04492654);(180.903192,0.00210989);(181.158169,0.00131181);(185.026437,0.00104483);(185.114737,0.00709388);(185.128606,0.00410432);(187.094164,0.00732951);(188.965362,0.00184245);(189.163536,0.00458635);(189.951883,0.00090377);(192.961523,0.00733324);(193.158873,0.00108094);(196.868479,0.00485225);(196.961202,0.00506439);(197.015016,0.01275196);(197.0442,0.09744623);(197.165082,0.00127366);(198.047557,0.0076936);(198.956907,0.00069404);(201.086703,0.01661074);(202.996011,0.00138659);(203.139788,0.00088977);(203.179297,0.00068999);(204.912849,0.00548496);(204.961959,0.00827337);(204.994566,0.00149291);(205.96984,0.0068934);(206.977597,0.00630382);(209.025978,0.00086099);(210.972021,0.00734073);(211.059798,0.00370039);(212.12759,0.00086702);(212.842188,0.00247601);(212.992467,0.00266338);(213.968964,0.00114707);(214.006086,0.00103227);(214.595186,0.00657118);(214.610453,0.0046775);(214.621964,0.00080606);(214.971667,0.02854477);(214.989104,0.00336819);(215.025479,0.00592318);(215.886863,0.0006969);(215.946714,0.01351988);(215.990156,0.00296578);(216.967903,0.0160831);(216.98599,0.00499336);(217.038397,0.00075327);(217.942087,0.00360465);(218.126352,0.00374488);(219.174231,0.00719382);(220.945897,0.00098633);(221.985689,0.00113792);(222.89816,0.00191029);(223.075065,0.00152439);(223.980161,0.04834277);(224.980571,0.00145893);(226.216213,0.0010551);(227.127388,0.0030471);(229.082328,0.00144426);(232.981953,0.00442485);(232.999463,0.00219714);(233.957148,0.0006695);(234.000474,0.00271454);(234.037948,0.00105246);(234.912941,0.00126438);(234.978645,0.01476478);(234.996672,0.00404857);(235.048509,0.00136822);(235.094748,0.00098122);(235.105454,0.00152962);(235.241634,0.00140503);(236.985153,0.00393515);(239.17531,0.00266884);(240.231956,0.00255964);(240.909085,0.00659056);(241.085603,0.0277041);(241.990857,0.02048205);(245.226475,0.0021664);(246.967895,0.00116923);(247.092104,0.05098135);(248.095705,0.0018141);(248.96317,0.00388356);(249.193697,0.00067194);(250.177753,0.00329475);(250.196575,0.00488873);(251.000301,0.01128217);(251.125358,0.00093483);(252.047712,0.00082325);(252.194921,0.00098274);(252.996545,0.00116208);(253.252087,0.0010062);(254.136329,0.00118024);(254.211059,0.00186526);(255.101231,0.02299801);(256.860919,0.00079467);(257.08051,0.00455804);(259.095937,0.00274921);(262.938444,0.00836855);(263.173744,0.00095943);(263.236287,0.00144264);(264.908976,0.00579563);(265.015709,0.01608966);(266.027054,0.06327803);(266.998413,0.01508554);(267.013041,0.00417404);(267.029378,0.00142959);(267.913105,0.00114609);(267.999417,0.00155861);(268.978088,0.05477079);(269.135574,0.00186683);(269.905243,0.00175634);(269.977878,0.00996657);(270.974779,0.00185696);(271.078432,0.00177687);(273.111111,0.00116453);(276.971701,0.00589232);(278.158518,0.00149089);(279.156146,0.00166994);(280.94869,0.00582847);(281.171502,0.00070086);(281.911434,0.00103791);(282.919405,0.00675596);(284.294652,0.00174981);(285.009252,0.40248854);(286.009369,0.083796);(287.005765,0.03019062);(291.039331,0.00127321);(293.158275,0.00173478);(293.183245,0.00796525);(293.202584,0.01440871);(293.221509,0.00604395);(294.185825,0.00073544);(294.20461,0.0018518);(294.882858,0.00891354);(294.990031,0.03571674);(295.12596,0.00623367);(295.18071,0.00268559);(295.199437,0.00206369);(295.237796,0.00070103);(295.994953,0.00256325);(296.29439,0.03041489);(296.331047,0.00112408);(296.896354,0.00125801);(296.986783,0.01270311);(297.146558,0.01458301);(298.866315,0.00068983);(299.024731,0.00974468);(299.091163,0.01281812);(303.019868,0.09416341);(303.039493,0.00104906);(304.01997,0.02128482);(305.017276,0.00560369);(308.294036,0.00351263);(309.005476,0.0303954);(310.008963,0.00124698);(310.310141,0.00937976);(311.002376,0.0115959);(312.894192,0.00213307);(313.125492,0.00290228);(317.035473,0.00557123);(319.298633,0.00192178);(321.253171,0.01488421);(322.198616,0.00106373);(322.234948,0.00381056);(322.255516,0.00303202);(323.182067,0.00469828);(323.203002,0.00106331);(323.231976,0.00301081);(324.325657,0.08812739);(324.986185,0.0097091);(325.125305,0.00191148);(325.328967,0.01832177);(335.15937,0.00405569);(336.162414,0.00066285);(336.325453,0.00081716);(338.341102,0.01806633);(338.377462,0.0038389);(339.037841,0.00282649);(339.343864,0.00205931);(341.235954,0.0095456);(342.996657,0.04087961);(345.011991,0.00149354);(353.155958,0.00503977);(353.190417,0.00575302);(353.229219,0.01821537);(353.263745,0.0041556);(353.281063,0.00436492);(353.302542,0.00192276);(353.35189,0.07724724);(353.390666,0.00120955);(354.162905,0.0020462);(354.1879,0.01820968);(354.232096,0.00414152);(354.262519,0.00126045);(354.279481,0.00312079);(354.316567,0.02513384);(354.355041,0.0138201);(354.373476,0.03364671);(354.408856,0.05223805);(354.985831,0.00133753);(355.010985,0.02413441);(355.069437,0.02701036);(355.095669,0.00320837);(355.133189,0.00304942);(355.151723,0.00540082);(355.171136,0.00487626);(355.208477,0.01235063);(355.245614,0.02831826);(355.281469,0.57911201);(355.319394,0.00291981);(355.375769,0.00959977);(355.411602,0.0128304);(356.015197,0.00119764);(356.070024,0.00686938);(356.182214,0.00212762);(356.203593,0.02653551);(356.243822,0.00375017);(356.257991,0.01488119);(356.2841,0.11470625);(356.330235,0.025895);(356.352097,0.00769244);(356.387765,0.00647792);(357.011354,0.03436721);(357.067521,0.00080914);(357.092962,0.00140935);(357.117221,0.00186174);(357.147253,0.04747758);(357.169281,0.01084696);(357.20551,0.01795346);(357.260145,0.20428317);(359.027819,0.01239903);(359.245881,0.00288916)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.744311,0.00032188);(50.879715,0.0003719);(51.533946,0.00037069);(53.00298,0.00038138);(53.007992,0.00034783);(53.039347,0.0013977);(53.932691,0.00033715);(54.358372,0.0003455);(55.018591,0.00455988);(55.054952,0.04950986);(56.050202,0.01007303);(56.058282,0.00060589);(56.965486,0.00467514);(57.03423,0.01542957);(57.070605,0.10397363);(57.778912,0.00032683);(58.024088,0.00036944);(58.065841,0.01718772);(58.073915,0.00343302);(59.049854,0.02091582);(60.045114,0.00485309);(60.081442,0.00114918);(61.011297,0.02693156);(61.040307,0.00087284);(62.019176,0.03173905);(62.982457,0.0112054);(62.990395,0.00719122);(63.026989,0.03686027);(67.054895,0.0669574);(68.050146,0.00161576);(68.058226,0.00293381);(68.637937,0.00032099);(69.034152,0.00291459);(69.070536,0.08187284);(69.816552,0.00032842);(70.065747,0.03358521);(70.073804,0.00220824);(71.049769,0.02114825);(71.086152,0.07209844);(71.982708,0.00477776);(72.045,0.00660117);(72.081384,0.01556509);(72.089418,0.00250168);(73.02903,0.00227226);(73.047403,0.1671863);(74.04703,0.00360807);(74.050725,0.00196181);(74.060626,0.00406815);(74.097004,0.00588494);(74.975781,0.0003326);(75.026637,0.00644206);(75.044227,0.00066187);(75.143852,0.00032254);(76.039913,0.00132189);(77.042054,0.00042923);(77.616094,0.00059855);(78.823378,0.00038419);(78.956227,0.00038828);(79.021654,0.04817135);(79.054775,0.01967652);(80.050063,0.00221097);(80.94841,0.02456049);(81.000805,0.01375071);(81.034002,0.00198609);(81.070407,0.09298723);(82.065664,0.00441681);(82.073703,0.00798888);(82.945378,0.00467802);(83.022142,0.00227553);(83.049671,0.00861819);(83.086024,0.05964287);(84.04493,0.00515159);(84.068729,0.00162573);(84.081279,0.00849142);(84.089372,0.00133362);(85.028864,0.00351298);(85.040158,0.00875059);(85.065322,0.01300404);(85.084775,0.00035415);(85.101686,0.02798966);(86.060556,0.00553516);(86.096979,0.01395192);(86.515157,0.0003485);(87.044574,0.01344641);(88.022076,0.00180576);(88.039712,0.00148757);(88.076149,0.00384489);(89.060192,0.01759603);(89.277892,0.00032055);(90.055276,0.00044391);(90.063359,0.00047781);(90.091733,0.0005462);(90.497796,0.00034297);(91.057772,1.0);(92.057354,0.04148098);(92.061092,0.02362615);(92.718614,0.00034465);(93.033802,0.00054202);(93.037035,0.03025986);(93.054572,0.01195662);(93.0703,0.03389355);(94.036734,0.00034821);(94.065483,0.00174274);(94.07355,0.00078095);(95.016255,0.00876944);(95.035103,0.00034573);(95.049544,0.00812545);(95.060747,0.00680164);(95.085899,0.10567517);(96.04481,0.00103048);(96.081123,0.00151308);(96.08924,0.01013594);(96.883155,0.00033933);(96.922172,0.00995661);(96.995545,0.00451998);(97.040079,0.00536501);(97.065143,0.01230837);(97.076399,0.0025857);(97.101547,0.04349532);(98.06039,0.00734227);(98.084245,0.00412912);(98.096774,0.00534404);(98.104896,0.00215883);(98.919499,0.0004666);(98.97596,0.00047953);(99.04451,0.00566512);(99.080822,0.01175332);(99.092036,0.00769952);(100.075993,0.0113745);(100.112491,0.00843404);(100.504344,0.00032506);(101.003503,0.00221119);(101.060068,0.00478919);(101.096247,0.00047554);(102.055261,0.00651551);(102.931126,0.00038212);(103.039265,0.00113405);(103.075683,0.01048744);(104.107276,0.00090865);(104.992668,0.00077298);(105.03378,0.00488271);(105.070072,0.00928587);(105.073361,0.050654);(106.073117,0.0009268);(106.076602,0.0003569);(107.04929,0.0064462);(107.052788,0.01081649);(107.070454,0.0006572);(107.085765,0.02934266);(107.966939,0.00087101);(108.080943,0.00088642);(108.089258,0.00150178);(108.117166,0.00034326);(109.064696,0.00196672);(109.068347,0.01335029);(109.088712,0.00039532);(109.101432,0.05394826);(110.060283,0.00222463);(110.071526,0.0154092);(110.096581,0.00326712);(110.104706,0.00183784);(111.044132,0.00367992);(111.055537,0.00041709);(111.080656,0.00832226);(111.092133,0.00043825);(111.117071,0.00903292);(112.075959,0.00490448);(112.112162,0.00048817);(112.338805,0.00035579);(112.896006,0.00246221);(113.059902,0.0008694);(113.096364,0.00070278);(113.599919,0.00031938);(114.055226,0.00623923);(114.07355,0.0017255);(114.0916,0.00180047);(114.128,0.00048851);(114.894115,0.00032771);(115.075892,0.00050898);(115.086827,0.0076144);(116.053081,0.00370211);(116.070757,0.00999222);(116.107199,0.00406325);(116.986047,0.00200337);(117.070305,0.00057785);(119.085711,0.01483);(120.00333,0.00039795);(120.081033,0.00125255);(120.089084,0.00079155);(121.039734,0.01580734);(121.064915,0.01938075);(121.101329,0.02175115);(122.043044,0.00039312);(122.096381,0.0003916);(122.104634,0.00115796);(123.043922,0.00103351);(123.080472,0.0032569);(123.1169,0.02081323);(123.153296,0.00034653);(124.075771,0.00146197);(124.11196,0.00038936);(124.11994,0.00037456);(124.964466,0.00197708);(125.060088,0.00040775);(125.096181,0.00442698);(126.05497,0.00174586);(126.091348,0.00071747);(127.086659,0.0003924);(127.11176,0.0013672);(128.070557,0.00176448);(128.106944,0.00082586);(128.143408,0.00189122);(129.055085,0.00050201);(129.069653,0.0003868);(130.049885,0.00169807);(130.159008,0.00299957);(131.085473,0.00408);(131.594123,0.00032417);(132.065602,0.01112244);(132.987317,0.00034101);(133.06471,0.00096367);(133.085963,0.00062731);(133.10109,0.01367337);(134.096418,0.0003848);(134.103833,0.00037679);(134.97877,0.00426266);(134.996605,0.00442413);(135.002857,0.00502177);(135.044016,0.01569395);(135.080474,0.00248739);(135.116832,0.01213959);(136.047287,0.00138817);(136.075706,0.00213367);(136.112077,0.00041757);(136.12008,0.00117408);(136.957971,0.00285477);(137.011718,0.00880722);(137.05968,0.00142194);(137.096101,0.00392382);(137.132302,0.00553427);(138.05488,0.0009186);(138.091488,0.0007405);(138.127622,0.00137797);(139.050196,0.00998123);(139.075212,0.0008119);(139.111576,0.0027);(140.070665,0.00041516);(140.106944,0.00082135);(140.959241,0.00925918);(140.990822,0.00034784);(141.127204,0.00092961);(142.073695,0.00604837);(142.086403,0.00039092);(142.122602,0.00232215);(142.159059,0.00718087);(142.702707,0.00034919);(142.938519,0.00625842);(143.081249,0.0280682);(143.161864,0.00040862);(144.065208,0.00036348);(144.080478,0.00436373);(145.049683,0.00072162);(145.101125,0.00372523);(146.011653,0.00035929);(146.973354,0.00035026);(147.080466,0.00136638);(147.116687,0.00853465);(148.120144,0.00084266);(148.925677,0.00039233);(148.971827,0.00375905);(149.023311,0.00123087);(149.059958,0.00047381);(149.096055,0.001188);(149.107358,0.00330779);(149.132463,0.00428718);(149.943931,0.00033783);(150.091275,0.00163629);(151.148098,0.00164439);(151.943601,0.00407181);(152.070137,0.00041923);(152.078842,0.00035872);(152.107173,0.0014405);(152.989245,0.01590809);(153.007088,0.00051762);(153.054293,0.00033834);(153.091075,0.00343272);(153.102426,0.00081745);(153.938999,0.00056612);(154.086215,0.00045404);(154.093769,0.00112481);(154.122618,0.00278741);(154.93128,0.00038637);(154.968455,0.01244468);(155.022142,0.00272369);(155.08127,0.00118588);(155.143411,0.00042014);(156.07668,0.00112417);(156.138569,0.00141407);(157.097032,0.00670088);(159.116955,0.0034744);(160.0603,0.04781523);(160.075853,0.00042388);(161.06409,0.00074299);(161.132441,0.0043341);(162.874633,0.00036795);(163.038571,0.00054563);(163.148124,0.00126872);(164.047036,0.00088868);(164.920506,0.02936802);(165.091027,0.00200619);(166.086293,0.00036252);(166.123081,0.00035659);(166.921873,0.00035339);(166.966811,0.00032683);(167.117987,0.0014713);(168.138169,0.00140195);(169.954191,0.00827842);(170.116975,0.00045724);(170.955206,0.00049677);(170.962892,0.00074284);(170.999879,0.00109266);(171.116479,0.00035197);(171.949579,0.00124495);(172.978945,0.00095565);(173.132655,0.00119202);(175.111762,0.0009359);(175.120706,0.00045098);(175.14841,0.00114927);(175.333378,0.00032802);(175.952603,0.00033534);(176.107845,0.00033295);(177.061029,0.00038123);(178.000968,0.00039284);(178.122155,0.00045369);(179.033705,0.22366606);(179.954058,0.00202368);(180.037015,0.0183197);(180.894404,0.02893207);(180.902982,0.00121549);(181.992812,0.00035153);(182.154545,0.0004154);(185.02685,0.00036321);(185.114913,0.0039085);(185.128481,0.00478411);(187.07011,0.00123475);(187.094245,0.00656152);(187.959731,0.00039924);(188.079864,0.00081987);(188.942866,0.00085827);(188.965812,0.00126316);(188.974119,0.00083272);(189.065994,0.00034662);(189.164025,0.00039557);(189.992193,0.00033977);(192.02708,0.00360291);(192.961748,0.00173655);(194.512691,0.00035521);(195.150041,0.00034517);(196.868143,0.00211188);(196.96137,0.00278924);(197.015337,0.01336922);(197.044311,0.09343718);(198.015894,0.00039462);(198.047785,0.00729257);(198.976465,0.00114266);(201.086815,0.02497371);(202.935595,0.00046471);(202.996699,0.00034608);(204.138888,0.0003577);(204.91309,0.00256378);(204.995065,0.00274153);(206.97788,0.00592036);(208.003068,0.00035552);(208.083843,0.00034694);(208.821772,0.00033064);(210.955673,0.00033557);(210.972243,0.00043093);(211.059917,0.00314236);(214.603716,0.00928351);(214.971912,0.0172862);(214.989004,0.00187351);(215.025563,0.0040017);(215.947028,0.00205454);(215.990219,0.00217979);(216.906651,0.00043461);(216.967927,0.00884378);(216.98629,0.00433556);(217.943561,0.00034046);(218.126537,0.00191349);(219.174333,0.00432416);(220.946227,0.00374416);(222.89865,0.005357);(223.075135,0.00633074);(223.98028,0.01602337);(224.11259,0.00032784);(226.216665,0.00037647);(227.055952,0.00036357);(229.082601,0.00081096);(232.983066,0.00036485);(233.000081,0.00140366);(234.000537,0.00122487);(234.037084,0.00033535);(234.979013,0.00862046);(234.9968,0.00196174);(236.984744,0.00104845);(240.231539,0.00097547);(240.909278,0.0121365);(241.085408,0.02272114);(241.335188,0.00032198);(241.990889,0.00217343);(247.092227,0.01553297);(248.963248,0.00039818);(250.197832,0.00083667);(251.000791,0.00267235);(251.12443,0.00037366);(255.101097,0.02395762);(256.862287,0.00032814);(257.080309,0.00151526);(258.184957,0.00082275);(259.096628,0.00224892);(265.016151,0.00414639);(266.027033,0.03584238);(266.998923,0.02101172);(267.012668,0.0015159);(267.029837,0.00081684);(267.999026,0.0046378);(268.978119,0.102523);(269.97753,0.01988659);(270.958807,0.00101495);(270.975427,0.00477824);(273.111883,0.00241788);(283.326757,0.00033879);(284.294863,0.00326046);(285.009276,0.24300694);(286.009328,0.05094638);(286.988602,0.00118885);(287.005742,0.01844093);(293.185253,0.00078736);(293.202521,0.0025231);(293.223339,0.00050955);(294.883059,0.00043597);(294.99019,0.00678953);(295.180197,0.00135487);(296.294369,0.01838463);(296.987095,0.00127637);(297.146845,0.00190544);(299.025093,0.00463377);(301.005424,0.0004557);(303.019836,0.05802221);(304.020308,0.0107269);(304.104377,0.00088218);(305.017205,0.00087705);(306.891823,0.00032728);(308.295374,0.00095387);(309.005942,0.00446957);(310.310227,0.00407376);(311.00291,0.00142699);(314.081677,0.00037472);(317.035729,0.00225674);(318.256923,0.00033394);(321.253966,0.00755286);(323.232255,0.00048098);(324.325283,0.04693831);(324.986728,0.00669924);(325.329139,0.00883194);(325.678221,0.00035822);(334.671789,0.00043016);(338.34164,0.00720931);(338.377784,0.00113776);(341.23607,0.00508834);(342.242101,0.00036467);(342.996607,0.0294081);(345.011824,0.00071096);(353.229522,0.00141655);(353.302671,0.00042439);(353.3519,0.06555899);(354.189308,0.00046223);(354.234664,0.00032598);(354.279351,0.00038495);(354.315516,0.0230997);(354.353256,0.01524927);(354.37393,0.00989105);(354.408864,0.02436226);(355.207864,0.00053996);(355.243451,0.00222087);(355.28132,0.07313008);(355.318068,0.00660691);(355.377179,0.00072829);(355.412648,0.0061199);(356.258972,0.00696162);(356.286169,0.01414396);(356.330525,0.02426214);(356.351828,0.00172003);(356.387839,0.00141365);(357.012653,0.00561323);(357.146712,0.00195096);(357.203868,0.00228883);(357.260619,0.04088943);(359.028128,0.00037042);(359.247505,0.00142231)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.090264,0.00040259);(51.477346,0.00032423);(51.940712,0.0078393);(52.002099,0.00034636);(52.227683,0.00033222);(53.002915,0.0068141);(53.039334,0.01047049);(53.425712,0.00042172);(54.034576,0.0006893);(54.31156,0.00032361);(55.00035,0.00037105);(55.018573,0.02025586);(55.054959,0.13579598);(55.06917,0.00032764);(55.847942,0.00034266);(55.935207,0.00044294);(56.021924,0.00037905);(56.05021,0.03831529);(56.058284,0.0039441);(56.891579,0.00032887);(56.965519,0.05766093);(57.034226,0.02443426);(57.070601,0.14457464);(57.501879,0.00041946);(58.029437,0.00074652);(58.065844,0.03956551);(58.073929,0.00422831);(58.43494,0.00039071);(58.50869,0.00036453);(58.995598,0.00045374);(59.048433,0.00073928);(59.049861,0.02308123);(59.517345,0.00037432);(59.988284,0.00033881);(59.991034,0.00259222);(60.045084,0.00936603);(60.0815,0.00395746);(61.011307,0.06000779);(61.040336,0.00071137);(62.019193,0.04668005);(62.708211,0.00038317);(62.98244,0.01346996);(62.990376,0.0167979);(63.026988,0.03475756);(63.229536,0.00033198);(63.99003,0.00042894);(63.998386,0.00161094);(65.039243,0.01203238);(67.018045,0.00035675);(67.054893,0.13160976);(68.050163,0.01394033);(68.058178,0.00673105);(68.178702,0.00036988);(68.997831,0.00136771);(69.034118,0.00994822);(69.045471,0.00041669);(69.070518,0.09617157);(70.029347,0.00333598);(70.065744,0.06903431);(70.073897,0.00348566);(70.980754,0.00034044);(71.013173,0.00042479);(71.049752,0.02273545);(71.069165,0.00090555);(71.073823,0.00043924);(71.08616,0.05507372);(71.190697,0.00039251);(71.304726,0.00035525);(71.952595,0.0014818);(71.982644,0.00504358);(72.043015,0.00041779);(72.045033,0.01170748);(72.053208,0.00035027);(72.081357,0.02079078);(72.089494,0.00150286);(72.271405,0.00032662);(73.01908,0.000387);(73.029004,0.00382403);(73.047409,0.12800696);(73.065404,0.00322782);(73.624924,0.00034168);(74.046959,0.00284023);(74.050771,0.00102936);(74.060682,0.01750026);(74.097002,0.00534253);(74.931514,0.00252094);(74.975775,0.00118023);(75.026709,0.00602464);(75.044448,0.00120432);(75.22514,0.00042927);(77.006095,0.00163157);(77.008768,0.0008029);(77.039165,0.00050771);(77.042272,0.00215628);(77.095463,0.00199882);(78.595507,0.00034565);(78.862297,0.00042052);(79.018744,0.00449128);(79.021624,0.0991844);(79.054787,0.05825324);(79.617643,0.00033852);(80.020945,0.00047618);(80.050003,0.00873816);(80.058058,0.0022334);(80.948391,0.01994965);(81.000791,0.03918071);(81.034014,0.00474383);(81.04536,0.00134157);(81.070386,0.12548381);(82.029362,0.00046167);(82.052889,0.00084082);(82.065671,0.01965454);(82.073727,0.00981205);(82.347994,0.00032988);(82.945439,0.00179);(83.049652,0.01735992);(83.060885,0.00773325);(83.073047,0.0004877);(83.086017,0.03894846);(84.044851,0.01323437);(84.068727,0.01924598);(84.081249,0.01829069);(84.089271,0.00164756);(85.028904,0.0036958);(85.040175,0.00980044);(85.065283,0.00719229);(85.076447,0.0014857);(85.101684,0.01181643);(86.060556,0.02039644);(86.09692,0.01405883);(87.044504,0.00739543);(88.022031,0.00437136);(88.039755,0.01130857);(88.076174,0.00310151);(88.853553,0.00039039);(89.060114,0.00629402);(89.602747,0.00042667);(89.963031,0.00044695);(90.570817,0.00032094);(90.94778,0.00037795);(91.05493,0.03754914);(91.057762,1.0);(92.05737,0.04167657);(92.061072,0.02692413);(92.98637,0.00079219);(93.037034,0.03755406);(93.045114,0.00663213);(93.054654,0.01231667);(93.05738,0.00043218);(93.070284,0.05971462);(93.780653,0.00038634);(94.065521,0.01055174);(94.073602,0.002882);(95.016261,0.0239038);(95.049531,0.03297681);(95.060726,0.01657763);(95.085902,0.10309598);(95.69324,0.00039879);(96.044827,0.00568424);(96.081212,0.00896225);(96.089272,0.00886914);(96.922233,0.00447101);(96.995606,0.01441738);(97.028685,0.00156733);(97.040002,0.01362487);(97.065175,0.01062736);(97.076436,0.02503042);(97.101516,0.01163529);(97.825132,0.00037216);(98.060376,0.00906808);(98.081161,0.00039281);(98.084225,0.02852176);(98.096774,0.00442258);(98.570399,0.00042674);(98.975843,0.00145025);(99.011186,0.00101912);(99.044377,0.00494497);(99.080595,0.00086118);(99.092011,0.00264941);(100.039668,0.00182155);(100.076074,0.00876064);(100.112483,0.00657825);(101.059959,0.00230869);(102.055225,0.00932916);(102.948615,0.00082724);(103.054554,0.00366227);(103.924278,0.00043311);(104.895869,0.00037308);(105.033829,0.00831952);(105.045012,0.00298021);(105.070057,0.02298655);(105.073348,0.05306855);(105.315978,0.00032599);(105.61021,0.00040546);(106.06541,0.00456907);(106.073126,0.00123466);(107.045815,0.0003857);(107.049286,0.0144948);(107.052687,0.00763894);(107.060449,0.00064473);(107.085761,0.02974733);(108.020899,0.00130486);(108.080927,0.00664364);(108.089111,0.0011184);(108.958303,0.00049615);(108.970006,0.00039686);(109.039793,0.0004083);(109.064668,0.00330327);(109.068334,0.01597221);(109.076356,0.00168415);(109.10148,0.02782369);(109.350403,0.0003815);(109.654888,0.00045311);(110.060172,0.00585232);(110.071562,0.02062069);(110.079856,0.00035263);(110.096575,0.00515964);(110.105004,0.00062182);(111.044228,0.00503508);(111.055655,0.00111209);(111.080634,0.00364639);(111.091942,0.00429494);(112.039391,0.00048655);(112.075949,0.00300115);(112.10017,0.00041753);(112.112184,0.00057406);(113.023425,0.00137747);(113.736481,0.00033206);(114.055165,0.01769924);(114.073575,0.00115045);(115.005758,0.00048376);(115.054453,0.00142913);(115.08688,0.00095158);(116.053214,0.00086839);(116.057963,0.0004344);(116.070807,0.00270601);(116.107048,0.00434464);(116.986104,0.00442476);(117.069998,0.00525328);(117.558027,0.00037476);(118.06524,0.00190772);(118.770536,0.00037203);(118.947413,0.00045366);(119.04922,0.0015448);(119.085681,0.019575);(120.08101,0.00422984);(120.878016,0.00056912);(121.028463,0.00526684);(121.039712,0.02136472);(121.064922,0.0118357);(121.101293,0.01204759);(121.64953,0.00031081);(122.06017,0.00108923);(122.096743,0.00173076);(123.044183,0.00731049);(123.080392,0.00204144);(123.116856,0.00410162);(124.075627,0.00129276);(124.112189,0.00199922);(124.964785,0.00041795);(125.022532,0.00037331);(125.059721,0.00058402);(125.071341,0.00058338);(125.107411,0.00258786);(125.987239,0.00041148);(126.054922,0.00150967);(126.127399,0.00040881);(126.468672,0.00037899);(127.049973,0.00043037);(127.086639,0.00046639);(127.558391,0.00042361);(128.061707,0.00116592);(128.070721,0.00084508);(128.14344,0.0011165);(128.877308,0.00034283);(129.069891,0.00381557);(129.592661,0.00042025);(130.065168,0.00121088);(131.033801,0.01606876);(131.085574,0.00759142);(132.0655,0.05060245);(132.080676,0.0013297);(133.06449,0.0008398);(133.101058,0.00754541);(134.096327,0.00149136);(134.978693,0.00114385);(134.996416,0.0091988);(135.043933,0.01737835);(135.080242,0.0010056);(135.091144,0.00045379);(135.116923,0.00260842);(136.015336,0.00035919);(136.046762,0.00043923);(136.051881,0.00045953);(136.075603,0.00531221);(136.111894,0.00106875);(136.920098,0.00344497);(136.95799,0.0085857);(137.011614,0.02144283);(137.511295,0.00039522);(138.012213,0.00037062);(138.05499,0.0007377);(138.091004,0.0009474);(138.210939,0.00041839);(138.973352,0.00055109);(139.050203,0.00362186);(141.102349,0.00302627);(142.073564,0.02739412);(142.122582,0.00037242);(143.081103,0.00147369);(143.08599,0.00138321);(144.080632,0.01212558);(144.958857,0.00087056);(145.075587,0.00074745);(145.101054,0.0026366);(145.967027,0.00088923);(146.011713,0.0005087);(146.039187,0.0005816);(146.096431,0.0014913);(146.224564,0.00044604);(146.974305,0.00700781);(146.996628,0.00062407);(147.043874,0.00065022);(147.054868,0.00056686);(147.08035,0.00041208);(147.091441,0.00054697);(147.116744,0.00127147);(148.971682,0.0037692);(149.023298,0.00264865);(149.070665,0.00058539);(149.107265,0.00950929);(150.091357,0.00065878);(150.951546,0.00045868);(150.968399,0.00051483);(151.038792,0.01490669);(151.943219,0.00047479);(152.042303,0.00102048);(152.867471,0.00038506);(152.989155,0.01506212);(153.006815,0.00072833);(153.102252,0.00035168);(154.02646,0.000566);(154.122862,0.00057167);(154.930387,0.00322074);(154.968381,0.03052333);(155.022238,0.01537358);(155.081272,0.00270072);(156.023081,0.00050198);(156.925898,0.00045051);(156.964613,0.00068228);(156.972649,0.00045159);(157.010923,0.01121471);(157.101275,0.00049371);(158.012402,0.00159066);(158.05991,0.00043147);(158.096319,0.0013933);(159.080324,0.0005142);(159.116798,0.00116202);(160.018559,0.00149836);(160.060288,0.01976839);(160.075529,0.0011099);(160.11176,0.00173872);(161.095855,0.00047815);(163.977487,0.00065034);(164.20417,0.00036082);(164.92054,0.01666187);(164.92903,0.00084168);(165.991286,0.00043764);(166.289985,0.00038936);(166.951831,0.00041413);(167.055588,0.0008229);(167.96336,0.00095456);(169.049327,0.00117962);(169.060656,0.00045882);(170.002607,0.00069049);(170.963006,0.00175051);(171.000106,0.00044478);(171.093512,0.00043693);(171.104185,0.00047591);(172.112357,0.0005949);(172.979018,0.00909265);(172.996523,0.00054234);(173.059732,0.00043124);(174.823377,0.00040446);(176.548638,0.00044956);(178.0778,0.00105529);(178.85461,0.00040061);(179.033694,0.18109361);(179.085121,0.0032605);(180.037161,0.01506056);(180.065418,0.00052095);(180.8945,0.00475965);(181.987921,0.0005125);(182.978072,0.00047154);(186.127521,0.00036911);(186.927875,0.00065662);(186.947023,0.00054383);(188.942174,0.00114455);(188.974075,0.00354652);(192.027046,0.00651868);(194.415162,0.00042703);(195.080607,0.0013991);(196.24731,0.0005073);(197.015032,0.00740203);(197.044336,0.07396133);(197.054236,0.00145199);(198.047564,0.00462375);(198.067153,0.00486359);(200.142683,0.00039479);(201.05485,0.00034498);(201.087089,0.00153129);(203.14297,0.00149264);(204.994889,0.00044224);(207.557437,0.0004266);(210.037563,0.00809981);(211.059773,0.00229473);(211.075968,0.00053815);(212.083285,0.00202327);(213.090658,0.00155679);(215.025919,0.00253361);(216.174352,0.00047553);(217.976518,0.00118026);(219.17377,0.00045245);(219.97363,0.00079496);(220.021629,0.00126555);(220.096255,0.00264437);(220.945934,0.0025646);(222.898616,0.00707164);(223.075291,0.00865138);(224.936506,0.00039844);(225.043359,0.00091246);(226.061664,0.00086866);(226.373881,0.00038489);(234.899076,0.00048331);(234.997126,0.00047721);(237.042035,0.00042166);(240.908968,0.02157944);(240.946794,0.00336486);(241.085859,0.0026017);(241.950629,0.00034643);(242.153283,0.000605);(242.190587,0.00047516);(243.016898,0.00211753);(243.675014,0.00042387);(244.016139,0.0004614);(247.732019,0.000445);(248.561496,0.00034746);(253.955887,0.00060361);(254.646569,0.00034906);(255.101258,0.00373341);(256.204902,0.00039963);(258.184776,0.00040115);(258.222255,0.00040666);(258.957317,0.01414783);(259.957502,0.00045588);(261.027742,0.00087549);(263.139909,0.00036588);(263.84039,0.0003597);(266.027258,0.00163465);(266.998605,0.00456121);(268.977953,0.29538349);(269.977641,0.06112108);(270.957797,0.01118394);(270.975739,0.02294253);(271.95709,0.00051487);(274.083756,0.00038283);(274.952347,0.00138137);(275.728313,0.00036635);(281.740936,0.00041262);(282.992766,0.00053061);(285.009247,0.03453971);(286.009812,0.0065035);(286.988759,0.00290561);(287.006363,0.00080938);(288.96796,0.01156229);(303.019891,0.0067786);(309.325956,0.01378949);(309.411701,0.0004191);(310.329672,0.00201956);(315.196654,0.00036036);(324.986391,0.00377789);(325.810166,0.0004069);(335.794468,0.000363);(341.547652,0.00038429);(342.996743,0.02408941);(353.300375,0.00040449);(353.351807,0.02310739);(354.315451,0.01169624);(354.35601,0.00503019);(355.31762,0.00157873);(355.435419,0.00048514);(356.3308,0.01113022);(359.071863,0.00038726)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

	Food Phytochemical		Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
	Sesamin		Sesamin	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available	C₂₀H₁₈O₆	354.1103383	Detailed Intervention Studies

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

Back

Showing entry for Sesamin

Identification

Structure for Sesamin

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism