PhytoHub: Showing entry for Baicalein

Baicalein

Identification

PhytoHub ID

PHUB000868

Name

Baicalein

Systematic Name

Not Available

Synonyms

5,6,7-Trihydroxyflavone

CAS Number

Not Available

Average Mass

270.24

Monoisotopic Mass

270.052823422

Chemical Formula

C₁₅H₁₀O₅

IUPAC Name

5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one

InChI Key

FXNFHKRTJBSTCS-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H

SMILES

OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.53e-01 g/l
LogS (ALOGPS): -3.25
LogP (ALOGPS): 3.19
Hydrogen Acceptors: 5
Hydrogen Donors: 3
Rotatable Bond Count: 1
Polar Surface Area: 86.99000000000001
Refractivity: 72.91390000000001
Polarizability: 26.673118176229167
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -5.3675431356589005
pKa (strongest acidic): 6.755033160681343
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavones

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Flavones
Direct Parent Name: Flavones
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "5-hydroxyflavonoids", "6-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Polyols", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations: ["Flavones and Flavonols", "a flavone", "flavones", "trihydroxyflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "5-hydroxyflavonoid", "6-hydroxyflavonoid", "7-hydroxyflavonoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Flavone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Polyol", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(41.00219012,1.74275197);(78.04639902,1.622886627);(101.0385744,1.918743396);(102.046399,3.426112997);(103.0542236,2.721283234);(105.0334885,1.694170422);(124.0154921,2.757207887);(128.0256639,1.906779786);(130.0413131,2.474536298);(131.0491377,2.136531375);(140.0104062,2.230753488);(149.994757,3.206140071);(164.0104062,3.177070102);(165.0182308,2.329300041);(166.0260554,5.720275226);(167.03388,2.342721624);(168.0053203,1.957687902);(184.0518764,2.14783225);(210.0311413,2.689569097);(212.0467905,2.61499008);(228.0417046,2.857390533);(229.0495292,2.059250993);(240.0417046,5.738946394);(241.0495292,5.032869902);(242.0573538,9.180795843);(252.0417046,5.021839358);(253.0495292,4.819284121);(254.0209695,2.127452265);(255.0287941,3.22359939);(269.0444433,2.192936677);(270.0522679,6.928290653)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,8.674438221);(102.046399,1.336260993);(103.0542236,3.356825341);(113.0417139,1.534681171);(115.0573631,2.83672179);(119.0491377,1.618214547);(129.0334885,1.87588233);(269.0628405,0.9273396679);(282.0706651,0.8150566937);(283.0784897,1.007944495);(284.0863143,1.937091266);(285.0941389,3.704927838);(286.0967088,0.8647747776);(325.1105897,1.172902998);(341.1055038,1.079017753);(367.121153,0.8746795791);(369.1004179,0.9703236556);(385.1285768,1.048154051);(399.1078417,1.615868279);(412.1156663,0.9421919197);(413.1234909,3.701748252);(414.1257615,1.265871664);(414.1313155,4.268672233);(415.1335879,1.460380729);(415.1391401,1.820665091);(443.1524514,1.232994196);(458.1759252,1.347562765);(470.1395409,0.9723697397);(471.1473655,4.59464371);(472.1493741,1.910857872);(473.1477092,0.8832444388)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(78.04639902,0.9491687245);(101.0385744,1.063856926);(102.046399,2.436530257);(103.0542236,1.953218172);(124.0154921,1.612592926);(128.0256639,1.115207746);(129.0334885,0.9357429748);(130.0413131,1.447268357);(131.0491377,1.249581287);(140.0104062,1.304688453);(141.0182308,1.300100339);(142.0260554,0.9247860109);(149.994757,2.046814376);(151.0025816,1.247352841);(164.0104062,1.149778392);(165.0182308,1.692570949);(166.0260554,2.547461247);(168.0053203,0.920853651);(210.0311413,1.317870074);(212.0467905,1.337394925);(228.0417046,1.567792102);(229.0495292,1.160818381);(240.0417046,2.94211522);(241.0495292,2.910701591);(242.0209695,0.8293792312);(242.0573538,4.666398658);(252.0417046,2.649514444);(253.0495292,2.690926686);(254.0209695,1.244271238);(255.0287941,1.885368744);(270.0522679,4.21389885)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(78.04639902,0.9491687245);(101.0385744,1.063856926);(102.046399,2.436530257);(103.0542236,1.953218172);(124.0154921,1.612592926);(128.0256639,1.115207746);(129.0334885,0.9357429748);(130.0413131,1.447268357);(131.0491377,1.249581287);(140.0104062,1.304688453);(141.0182308,1.300100339);(142.0260554,0.9247860109);(149.994757,2.046814376);(151.0025816,1.247352841);(164.0104062,1.149778392);(165.0182308,1.692570949);(166.0260554,2.547461247);(168.0053203,0.920853651);(210.0311413,1.317870074);(212.0467905,1.337394925);(228.0417046,1.567792102);(229.0495292,1.160818381);(240.0417046,2.94211522);(241.0495292,2.910701591);(242.0209695,0.8293792312);(242.0573538,4.666398658);(252.0417046,2.649514444);(253.0495292,2.690926686);(254.0209695,1.244271238);(255.0287941,1.885368744);(270.0522679,4.21389885)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(111.0094,237.0);(115.0584,117.0);(123.0197,177.0);(127.0691,98.0);(137.0073,999.0);(138.0134,127.0);(139.0234,365.0);(139.0764,162.0);(141.0882,135.0);(143.0716,166.0);(167.073,207.0);(169.084,111.0);(171.0668,225.0);(195.0627,193.0);(223.0479,225.0);(224.056,97.0);(239.0396,179.0);(269.0452,102.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(239.0351,126.0);(240.0383,19.0);(241.0501,29.0);(255.0298,52.0);(267.0305,999.0);(268.0334,122.0);(269.0459,860.0);(270.0491,109.0);(271.0515,13.0);(285.041,22.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(239.0349,101.0);(240.0386,14.0);(241.0491,18.0);(255.0293,74.0);(256.0334,13.0);(267.0298,636.0);(268.033,89.0);(269.0456,999.0);(270.0486,136.0);(271.0509,18.0);(285.0391,15.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(239.0349,101.0);(240.0386,14.0);(241.0491,18.0);(255.0293,74.0);(256.0334,13.0);(267.0298,636.0);(268.033,89.0);(269.0456,999.0);(270.0486,136.0);(271.0509,18.0);(285.0391,15.0)
LC-MS/MS	LC-ESI-QFT	positive	low	View Spectrum	(169.0133,0.801958467);(197.0593,0.2448083741);(225.0548,3.41887557);(253.0499,11.11767685);(271.0599,84.41668074)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(123.1201,6.471746123);(169.1486,3.797589899);(225.1841,7.681597772);(242.125,5.386720438);(253.1031,28.65235969);(271.1596,48.00998608)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(111.0094,0.23723724);(115.0584,0.11711712);(123.0197,0.17717718);(127.0691,0.0980981);(137.0073,1.0);(138.0134,0.12712713);(139.0234,0.36536537);(139.0764,0.16216216);(141.0882,0.13513514);(143.0716,0.16616617);(167.073,0.20720721);(169.084,0.11111111);(171.0668,0.22522523);(195.0627,0.19319319);(223.0479,0.22522523);(224.056,0.0970971);(239.0396,0.17917918);(269.0452,0.1021021)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(137.0074,0.03103103);(239.0398,0.54254254);(240.0431,0.07107107);(241.0518,0.02602603);(251.0372,0.02202202);(267.0307,0.27827828);(268.0336,0.04204204);(269.0462,1.0);(270.0488,0.09409409)
LC-MS/MS	LC-ESI-ITTOF	Negative	high	View Spectrum	(136.9954,0.03203203);(153.0704,0.03203203);(169.0675,0.08208208);(195.0397,0.06306306);(197.0581,0.07207207);(223.0396,0.19319319);(224.0444,0.07207207);(225.0521,0.07207207);(241.0529,0.44144144);(250.9283,0.00900901);(251.0347,1.0);(251.4891,0.03703704);(252.0391,0.15215215)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(55.01531,0.02102102);(63.02441,0.01801802);(67.01722,0.01901902);(68.99706,0.28728729);(69.01868,0.01801802);(70.00111,0.02202202);(71.00865,0.01801802);(71.01431,0.02002002);(72.23953,0.02002002);(75.02379,0.05805806);(76.66367,0.02302302);(77.00265,0.02102102);(77.03696,0.25625626);(78.03738,0.01801802);(79.01856,0.04804805);(85.02309,0.01801802);(94.99431,0.01801802);(95.01283,1.0);(96.01212,0.05205205);(96.01871,0.05405405);(99.02317,0.04504505);(101.03759,0.08108108);(103.04336,0.02802803);(103.05382,0.16216216);(112.01595,0.02802803);(113.02767,0.02502503);(113.78585,0.01901902);(115.04891,0.09409409);(115.0579,0.07307307);(116.05462,0.05005005);(122.99576,0.08008008);(123.00842,0.9029029);(124.01151,0.04704705);(125.04034,0.01801802);(126.03882,0.04004004);(126.04845,0.06006006);(127.0034,0.02302302);(127.05215,0.13213213);(128.05647,0.02702703);(128.06136,0.06706707);(129.02664,0.04004004);(129.03633,0.12012012);(130.04102,0.02002002);(131.05109,0.02502503);(139.00737,0.05505506);(139.05711,0.0960961);(140.00471,0.01901902);(141.07144,0.05605606);(141.07822,0.02302302);(149.04056,0.01901902);(150.00494,0.03203203);(150.04207,0.18418418);(150.05153,0.16016016);(150.07283,0.02002002);(151.03938,0.01701702);(151.05396,0.28728729);(152.03244,0.02002002);(152.05441,0.02102102);(152.06203,0.02702703);(153.02515,0.03303303);(153.03186,0.09209209);(153.03752,0.0980981);(153.05783,0.02002002);(154.03432,0.04704705);(154.04387,0.04904905);(155.02553,0.02702703);(155.03171,0.02202202);(156.03494,0.01801802);(168.00972,0.05205205);(169.0118,0.12912913);(169.06357,0.02202202);(176.68896,0.01901902);(179.05142,0.03703704);(183.03503,0.01701702);(197.06535,0.02802803);(211.02231,0.01701702);(211.03458,0.02202202)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(55.01799,0.01301301);(68.79069,0.01301301);(68.99323,0.07107107);(68.999,0.22322322);(69.99765,0.01301301);(70.001,0.02002002);(71.01511,0.01401401);(77.03838,0.12812813);(84.99105,0.01401401);(87.02146,0.03103103);(94.98602,0.01401401);(94.99187,0.01201201);(95.01257,0.86686687);(95.23788,0.01301301);(96.01466,0.04404404);(99.02407,0.04304304);(101.0383,0.01601602);(102.04473,0.01901902);(103.05527,0.13413413);(104.05856,0.01701702);(105.03108,0.04404404);(113.02489,0.01301301);(115.04564,0.02002002);(115.0544,0.15815816);(122.97102,0.01301301);(123.00726,1.0);(123.85811,0.01201201);(124.00859,0.01401401);(124.01745,0.01401401);(125.00869,0.03403403);(125.02992,0.03203203);(125.03925,0.07507508);(127.05516,0.04204204);(127.37843,0.01201201);(129.01358,0.01501502);(129.03403,0.04604605);(130.035,0.01401401);(131.04637,0.02502503);(139.05585,0.11411411);(141.06456,0.03003003);(141.14755,0.01201201);(144.26677,0.01401401);(149.89421,0.01301301);(150.04588,0.28328328);(150.99776,0.02902903);(151.04129,0.05805806);(151.05215,0.30930931);(151.06163,0.05105105);(152.00926,0.01401401);(152.05637,0.06506507);(152.06468,0.03103103);(152.06975,0.01201201);(153.03503,0.10510511);(153.06378,0.01301301);(153.11316,0.01301301);(159.36903,0.01301301);(168.00061,0.02102102);(169.00746,0.01201201);(169.02058,0.01401401);(170.00642,0.02002002);(179.04031,0.01901902);(179.0513,0.01801802);(179.05905,0.01101101);(180.05733,0.01701702);(201.36855,0.01501502);(269.04099,0.03903904);(271.05252,0.04104104);(271.0629,0.01801802)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(68.98449,0.16416416);(68.99673,0.15515516);(69.00061,0.25525526);(77.03174,0.18218218);(77.03828,0.26426426);(95.00809,0.23623624);(95.01418,0.50850851);(101.04622,0.16416416);(102.05748,0.26426426);(103.05907,0.25525526);(115.04779,0.18218218);(123.00554,1.0);(123.01038,0.56356356);(125.03603,0.25525526);(141.06998,0.22722723);(150.04541,0.60860861);(150.09628,0.16416416);(151.00459,0.15515516)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(53.00475,0.001001);(68.99846,0.003003);(71.00174,0.001001);(80.0159,0.001001);(84.01692,0.001001);(95.00378,0.001001);(95.01147,0.01801802);(98.00173,0.001001);(99.00778,0.002002);(102.49573,0.001001);(103.02238,0.001001);(103.05354,0.01301301);(103.05768,0.00700701);(104.061,0.001001);(105.03445,0.003003);(105.04283,0.001001);(115.05634,0.004004);(123.00775,0.10910911);(123.50689,0.001001);(124.0078,0.00600601);(125.01302,0.001001);(125.04369,0.001001);(126.84986,0.001001);(127.04768,0.001001);(129.06944,0.001001);(138.99409,0.001001);(139.0011,0.004004);(141.06558,0.004004);(141.07344,0.004004);(150.04565,0.001001);(150.05684,0.001001);(151.00708,0.00700701);(151.04549,0.001001);(151.05437,0.002002);(153.02826,0.001001);(153.06351,0.001001);(159.44751,0.002002);(166.98097,0.001001);(167.05569,0.001001);(167.99783,0.001001);(169.01019,0.01201201);(169.06497,0.001001);(170.00613,0.001001);(170.01697,0.001001);(170.02501,0.001001);(171.03423,0.001001);(174.23181,0.002002);(179.04398,0.002002);(179.05159,0.002002);(180.05122,0.001001);(194.3958,0.002002);(196.55394,0.001001);(197.06046,0.00600601);(207.01956,0.001001);(207.04277,0.004004);(210.92197,0.001001);(211.03815,0.00500501);(216.90048,0.001001);(218.85281,0.001001);(224.05049,0.001001);(225.02472,0.001001);(225.04651,0.004004);(225.06018,0.00500501);(226.05681,0.002002);(232.99255,0.001001);(235.05817,0.002002);(236.36549,0.001001);(241.04424,0.00600601);(241.05211,0.00500501);(241.06667,0.001001);(242.05101,0.00800801);(242.06932,0.001001);(245.92014,0.001001);(252.99471,0.001001);(253.03052,0.002002);(253.0489,0.01901902);(253.67792,0.002002);(253.91321,0.001001);(253.97224,0.002002);(254.04796,0.001001);(254.05684,0.001001);(254.07558,0.001001);(255.05605,0.001001);(258.457,0.001001);(267.03326,0.001001);(267.94522,0.001001);(268.99402,0.001001);(269.03476,0.004004);(269.04575,0.001001);(269.05682,0.001001);(270.04688,0.02202202);(270.06451,0.00500501);(270.71405,0.001001);(270.78146,0.001001);(271.02161,0.00700701);(271.06055,1.0);(271.08945,0.001001);(271.10889,0.00900901);(271.17981,0.001001)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(241.05128,0.00800801);(269.04333,0.02602603);(270.04965,0.05105105);(271.01663,0.00500501);(271.06006,1.0);(271.10718,0.01201201)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(95.01147,0.01801802);(103.05354,0.01301301);(103.05768,0.00700701);(123.00775,0.10910911);(124.0078,0.00600601);(151.00708,0.00700701);(169.01019,0.01201201);(197.06046,0.00600601);(225.06018,0.00500501);(241.04424,0.00600601);(242.05101,0.00800801);(253.0489,0.01901902);(270.04688,0.02202202);(271.02161,0.00700701);(271.06055,1.0);(271.10889,0.00900901)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(95.01513,0.01001001);(103.05454,0.01701702);(104.05685,0.00600601);(123.00741,0.1021021);(139.00201,0.01001001);(151.0052,0.00800801);(151.05026,0.00600601);(169.01225,0.01501502);(169.01846,0.01101101);(211.03751,0.00900901);(225.05231,0.00600601);(241.05139,0.01101101);(242.05469,0.01201201);(253.05418,0.03503504);(269.04303,0.01901902);(270.05075,0.01401401);(271.0607,1.0);(271.10794,0.01601602)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.00291,1.0);(139.05086,0.66666667);(145.02513,0.41241241);(163.00641,0.39239239);(181.61021,0.47147147)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.0017,0.45145145);(66.00169,0.01701702);(66.96584,0.02202202);(67.01671,0.1001001);(68.99491,0.02402402);(69.00089,0.02202202);(77.0021,0.03503504);(77.00736,0.02302302);(78.00968,0.02102102);(79.01704,0.01701702);(80.99619,0.02102102);(83.01387,0.01701702);(91.02213,0.01901902);(92.99476,0.02002002);(93.99903,0.02502503);(95.01169,0.25825826);(96.01651,0.04204204);(96.99448,0.04104104);(101.03617,0.09009009);(102.04189,0.01701702);(103.05251,0.01701702);(108.99007,0.06206206);(108.99992,0.04104104);(110.00085,0.03503504);(111.00813,0.17217217);(112.01234,0.04104104);(115.05457,0.01801802);(117.03455,0.09109109);(120.9892,0.02302302);(121.99596,0.06306306);(123.00547,0.21221221);(124.98903,0.01801802);(125.99408,0.01801802);(127.04957,0.05205205);(127.05557,0.01801802);(129.06781,0.04204204);(131.04485,0.04104104);(136.95746,0.02102102);(136.98584,1.0);(137.12233,0.02402402);(137.99132,0.08308308);(139.00151,0.74674675);(139.04955,0.08808809);(139.05736,0.04304304);(140.00679,0.02102102);(140.05502,0.03603604);(141.06995,0.21821822);(142.07487,0.03403403);(143.04247,0.0970971);(143.04912,0.37437437);(144.04979,0.07607608);(145.02484,0.05405405);(149.99033,0.01901902);(151.00035,0.02802803);(151.04066,0.01701702);(151.05225,0.15115115);(152.06184,0.01801802);(153.06715,0.09109109);(154.03491,0.06906907);(155.05115,0.07707708);(157.05544,0.02202202);(157.0658,0.04404404);(164.97733,0.03603604);(164.98506,0.01801802);(164.99365,0.02202202);(165.59335,0.01801802);(165.98438,0.01901902);(165.99167,0.02502503);(166.8909,0.01901902);(166.99557,0.12612613);(167.00391,0.03403403);(167.04953,0.57457457);(168.04857,0.01801802);(168.0575,0.07507508);(169.00075,0.01801802);(169.0244,0.02202202);(169.05951,0.1001001);(169.06714,0.33233233);(170.06384,0.03503504);(170.07275,0.01801802);(171.0415,0.67867868);(172.04164,0.01901902);(172.04938,0.03603604);(172.05804,0.02102102);(172.96902,0.02602603);(178.92412,0.01801802);(179.0464,0.13313313);(179.05954,0.02202202);(180.0602,0.01801802);(183.04788,0.04104104);(184.05313,0.01701702);(185.05406,0.01801802);(185.06329,0.03403403);(186.05591,0.03003003);(186.06363,0.01501502);(189.12138,0.01701702);(193.00952,0.02502503);(195.03436,0.17117117);(195.04558,0.51651652);(196.03575,0.01601602);(196.05077,0.15915916);(196.1965,0.01701702);(197.05794,0.12612613);(197.0732,0.02202202);(198.06441,0.07507508);(199.03381,0.08308308);(199.04141,0.04004004);(202.0574,0.01801802);(207.03535,0.03003003);(207.04839,0.01701702);(208.05254,0.01801802);(211.03763,0.01901902);(211.04991,0.03603604);(212.05275,0.03903904);(213.05006,0.12312312);(213.06377,0.02302302);(214.05673,0.02502503);(223.04149,0.52452452);(224.0435,0.16316316);(224.05305,0.04304304);(225.04601,0.02102102);(226.02267,0.01701702);(226.05896,0.01901902);(239.03612,0.01701702);(240.03937,0.1011011);(241.04796,0.11811812);(241.05724,0.07907908);(242.0607,0.04404404);(251.03282,0.06506507);(252.03819,0.04004004);(267.01529,0.02202202);(267.03439,0.02002002);(268.0188,0.02402402);(268.03564,0.03603604);(269.04132,0.11811812);(269.05194,0.10910911)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.00266,1.0);(67.00466,0.11811812);(80.99648,0.10810811);(82.00756,0.1031031);(95.01256,0.36536537);(101.03938,0.34534535);(108.01583,0.08908909);(111.00851,0.23223223);(115.04716,0.0990991);(115.05433,0.08908909);(122.00417,0.0990991);(124.98435,0.08908909);(129.03381,0.12812813);(136.98521,0.41441441);(139.0556,0.23623624);(143.04935,0.08908909);(168.05505,0.08908909);(171.03941,0.10810811);(190.99799,0.0990991);(211.05969,0.09409409)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(64.40696,0.02602603);(65.00357,0.19219219);(67.00492,0.02202202);(68.99652,0.07907908);(77.00276,0.02302302);(78.50171,0.01701702);(79.01403,0.01901902);(79.02036,0.01901902);(80.99626,0.02602603);(81.0011,0.01701702);(94.00208,0.02102102);(94.00705,0.02502503);(95.01241,0.12112112);(96.01703,0.02702703);(96.99155,0.03803804);(99.00556,0.02002002);(101.03887,0.08508509);(108.02401,0.04104104);(108.98932,0.07507508);(110.9826,0.01901902);(111.00829,0.20620621);(115.05895,0.01901902);(120.99474,0.01901902);(121.02802,0.01701702);(121.99759,0.04404404);(123.00887,0.15615616);(124.01114,0.01801802);(124.98702,0.04204204);(125.03721,0.02502503);(127.04948,0.01801802);(127.0611,0.02402402);(129.03915,0.05005005);(129.06924,0.04404404);(131.05188,0.01801802);(136.98752,1.0);(137.99467,0.01901902);(139.00208,0.56756757);(139.01004,0.0950951);(139.05147,0.04804805);(140.0088,0.04004004);(140.04378,0.02302302);(141.06728,0.25325325);(142.07182,0.03603604);(142.31424,0.01801802);(143.05043,0.16216216);(143.07764,0.01901902);(144.05035,0.04704705);(144.05496,0.03003003);(145.02661,0.08808809);(146.02876,0.01701702);(148.01512,0.02602603);(148.07492,0.02202202);(149.99471,0.02302302);(151.05417,0.10810811);(153.06831,0.03703704);(155.04866,0.04904905);(156.05591,0.01901902);(157.0592,0.04104104);(157.06592,0.01801802);(158.0629,0.01701702);(164.97539,0.05205205);(164.98587,0.02002002);(165.98868,0.03203203);(165.99597,0.02702703);(166.99489,0.02302302);(167.00871,0.01701702);(167.04973,0.47047047);(167.06198,0.01901902);(168.0016,0.01701702);(168.05127,0.03503504);(169.06285,0.15815816);(169.07652,0.01901902);(170.07236,0.05505506);(170.99773,0.01701702);(171.04387,0.34334334);(172.03699,0.02102102);(173.06703,0.01801802);(179.04518,0.14314314);(179.06248,0.01801802);(179.07074,0.02502503);(180.04906,0.02402402);(181.07121,0.02702703);(182.07231,0.01901902);(183.02997,0.01901902);(183.04201,0.04604605);(184.05112,0.01901902);(185.05585,0.05905906);(185.06238,0.06406406);(192.00406,0.05005005);(194.03709,0.01901902);(195.04263,0.47747748);(195.06619,0.03603604);(196.04083,0.02102102);(196.0522,0.07207207);(197.05602,0.01901902);(198.04512,0.01801802);(199.03523,0.08208208);(199.04471,0.02102102);(199.06671,0.01901902);(200.03688,0.02002002);(200.05362,0.01901902);(207.03952,0.08508509);(208.05429,0.04404404);(213.04991,0.07907908);(213.06317,0.01701702);(214.05852,0.01701702);(215.06009,0.01901902);(222.03323,0.02902903);(223.03906,0.47647648);(224.04062,0.03603604);(225.0515,0.06506507);(226.02287,0.01701702);(239.02689,0.02002002);(239.0443,0.02302302);(240.02188,0.01901902);(240.03766,0.09109109);(241.04633,0.13013013);(241.0627,0.01901902);(242.03876,0.01901902);(251.04195,0.05905906);(251.05006,0.01901902);(253.02625,0.01701702);(268.02707,0.02402402);(268.04153,0.01701702);(269.03506,0.07107107);(269.04822,0.22422422)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.00074,0.16516517);(69.42945,0.05005005);(79.01547,0.06506507);(95.01767,0.06806807);(96.01649,0.05205205);(101.02983,0.05205205);(108.99328,0.05505506);(111.00788,0.04704705);(122.00193,0.04704705);(123.00244,0.06306306);(123.0114,0.06306306);(127.05381,0.14414414);(136.98483,1.0);(136.99617,0.06306306);(139.00285,0.90790791);(140.00221,0.05005005);(141.00093,0.06506507);(141.06863,0.16516517);(143.05363,0.04704705);(145.02298,0.21721722);(151.054,0.06506507);(152.05656,0.05205205);(154.0313,0.04704705);(155.04694,0.21721722);(164.97638,0.04704705);(166.04247,0.04704705);(166.99971,0.28528529);(167.04858,0.31731732);(168.05167,0.05505506);(169.05922,0.11011011);(169.06537,0.07607608);(171.0466,0.3043043);(179.04597,0.17517518);(185.05382,0.05005005);(186.0556,0.07307307);(194.03102,0.05205205);(195.0414,0.58358358);(196.04753,0.12012012);(197.02277,0.05205205);(198.07051,0.05805806);(199.0374,0.06506507);(199.04631,0.11011011);(212.74585,0.04704705);(213.04904,0.05805806);(213.06337,0.05805806);(223.04126,0.44244244);(239.02309,0.05205205);(241.04607,0.14914915);(269.04242,0.15715716)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(267.0303,0.03803804);(268.03268,0.05105105);(269.04468,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(95.00948,0.00800801);(103.0537,0.01601602);(105.03256,0.00700701);(123.00676,0.09409409);(141.06982,0.00500501);(151.00298,0.00700701);(169.01218,0.00700701);(225.05783,0.01101101);(242.05136,0.01101101);(253.04979,0.03003003);(269.04416,0.01301301);(270.05362,0.01201201);(271.02481,0.00700701);(271.06021,1.0);(271.10785,0.00900901)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	high	View Spectrum	(111.009,0.237);(115.058,0.117);(123.02,0.177);(127.069,0.098);(137.007,1.0);(138.013,0.127);(139.023,0.365);(139.076,0.162);(141.088,0.135);(143.072,0.166);(167.073,0.207);(169.084,0.111);(171.067,0.225);(195.063,0.193);(223.048,0.225);(224.056,0.097);(239.04,0.179);(269.045,0.102)
LC-MS/MS	LC-ESI-UNKNOWN	Negative	medium	View Spectrum	(137.007,0.031);(239.04,0.543);(240.043,0.071);(241.052,0.026);(251.037,0.022);(267.031,0.278);(268.034,0.042);(269.046,1.0);(270.049,0.094)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(95.011,0.018);(103.054,0.013);(123.008,0.109);(169.01,0.012);(253.049,0.019);(270.047,0.022);(271.061,1.0)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(57.033212,0.00027604);(57.974347,0.00232313);(59.012482,0.52732966);(59.983948,0.00071306);(60.015845,0.01030502);(61.016753,0.00047788);(61.987014,0.155299);(62.962805,0.00072173);(63.9611,0.14656565);(63.991257,0.00033466);(64.951188,0.00096636);(65.001972,0.00442703);(65.956922,0.00417144);(68.996863,0.00133833);(71.012517,0.00044093);(72.991786,0.00643499);(73.028173,0.00128513);(74.98973,0.00076496);(75.007465,0.00029925);(76.951187,0.00041538);(78.957816,0.0011715);(78.966927,0.00054003);(78.98459,0.45072078);(79.956025,0.03463825);(79.983973,0.00113435);(79.987986,0.00260573);(80.963876,0.00759015);(80.980381,0.01687647);(81.951863,0.00027175);(83.012508,0.06944378);(83.04891,0.00312832);(84.015886,0.00204134);(85.928674,0.0008669);(87.923993,0.04257895);(87.943391,0.00610427);(88.93179,0.01556901);(88.968197,0.00030264);(89.023093,0.00085703);(90.932241,0.00145787);(90.98471,0.00054365);(92.996985,0.00163068);(93.033316,0.0003371);(93.947248,0.00047809);(93.971711,0.04294812);(94.961761,0.00026697);(94.979517,1.0);(95.012546,0.00090381);(95.933231,0.00094399);(95.950971,0.00419404);(95.967474,0.00074432);(95.978964,0.00660326);(95.982916,0.00947086);(96.958829,0.0499896);(96.975331,0.0449889);(96.983646,0.00464861);(97.02827,0.00131795);(97.064583,0.0006474);(98.954653,0.00063784);(99.007484,0.00532888);(99.924495,0.01666981);(100.924656,0.00048097);(100.932245,0.00058565);(101.004554,0.00170297);(101.038417,0.00032043);(101.923612,0.00493854);(102.931789,0.00096092);(102.947528,0.00107881);(102.966934,0.00083059);(103.918953,0.10287419);(103.955346,0.00688792);(104.919477,0.00071642);(104.926805,0.02649394);(104.946214,0.00168487);(104.963118,0.00158485);(105.934634,0.01015715);(106.942442,0.01250178);(108.977542,0.00043479);(108.995234,0.00130953);(109.924456,0.00708988);(109.999705,0.00104874);(110.95674,0.20747081);(110.974474,0.02927313);(111.007507,0.0695945);(111.0802,0.0003683);(111.903799,0.00056838);(111.922543,0.00191409);(111.956091,0.00182467);(111.960234,0.00079509);(112.010917,0.00245476);(112.952579,0.01772472);(112.986816,0.00055992);(114.93513,0.00079818);(114.948043,0.00078712);(115.038845,0.0025607);(115.919471,0.03292017);(116.91985,0.00220209);(116.92731,0.03970277);(117.927476,0.00282813);(118.979738,0.00041887);(118.990948,0.00271355);(119.048988,0.00796686);(120.950086,0.02014936);(120.976029,0.00199457);(121.028249,0.00288882);(122.892984,0.00564662);(122.92936,0.00441296);(122.947106,0.00544183);(123.007559,0.00093516);(123.900805,0.00739696);(123.945281,0.01293578);(124.002929,0.00044492);(124.890166,0.00070076);(124.925863,0.00062133);(124.97254,0.00053955);(124.986681,0.00135595);(124.990746,0.00072042);(125.023193,0.01076464);(125.897939,0.00120925);(125.919563,0.00045877);(125.961699,0.00186734);(126.890916,0.00123097);(126.951745,0.0004037);(127.002495,0.00307524);(127.054148,0.00031596);(127.880968,0.00108228);(127.898759,0.00113595);(128.889082,0.0003644);(128.941226,0.00032065);(128.947149,0.02749638);(129.018258,0.00049654);(129.896988,0.00027912);(129.922334,0.0003545);(129.934668,0.02512772);(129.951705,0.00081193);(129.963315,0.00117223);(130.942502,0.45913591);(130.959478,0.0063334);(131.942703,0.00530731);(131.94634,0.00282158);(131.971474,0.00051192);(132.939082,0.00170519);(132.946585,0.00099008);(132.95816,0.03569245);(133.028455,0.00647946);(135.007631,0.00310309);(136.898968,0.00143216);(136.92534,0.00278633);(136.986819,0.00316748);(137.023266,0.00127895);(138.920662,0.00054969);(139.0025,0.00305453);(139.878112,0.00125251);(139.89583,0.0002833);(140.895461,0.00373111);(140.985275,0.00027395);(141.89664,0.00441227);(141.911469,0.00227195);(142.874869,0.00443588);(142.892553,0.00205488);(142.943065,0.00993538);(143.033872,0.05475136);(143.049075,0.04748011);(143.8947,0.00108094);(143.95088,0.01626982);(143.970655,0.00851992);(144.03729,0.00296653);(144.052407,0.00407041);(144.871885,0.00268342);(144.945714,0.00039705);(144.958181,0.00130414);(144.978605,0.0015572);(144.9946,0.01523722);(145.02834,0.02030249);(145.950138,0.00789087);(145.966006,0.16758073);(146.031638,0.00079778);(146.937463,0.00721888);(146.973985,0.0519985);(147.945341,0.15667563);(148.939518,0.00086357);(148.946606,0.00124275);(148.953399,0.0050155);(149.023523,0.00052269);(149.942281,0.00212663);(150.898746,0.00432887);(150.90508,0.00064051);(150.9147,0.01392999);(150.950822,0.00032121);(151.002607,0.00534228);(151.886494,0.000297);(152.893972,0.09088022);(152.916509,0.00498038);(152.930271,0.00275062);(152.935729,0.00213399);(153.005798,0.00207369);(153.018306,0.00095745);(153.893978,0.00138157);(154.889631,0.00237733);(155.049286,0.00043315);(156.920283,0.00494905);(156.937854,0.00331104);(156.943954,0.00059935);(156.962448,0.00159713);(157.064845,0.00050651);(157.861979,0.00105708);(157.953528,0.00083512);(158.036411,0.00093019);(158.863103,0.00380186);(158.918194,0.00137071);(158.938083,0.06701474);(159.859152,0.00069472);(159.938221,0.00561588);(160.841344,0.00064881);(160.86115,0.00100119);(160.936145,0.00032861);(161.059842,0.00026318);(161.961628,0.00825391);(162.838269,0.00052845);(162.971461,0.00078382);(163.94019,0.00029913);(163.96065,0.02145884);(164.894638,0.0013229);(164.914435,0.00047257);(164.930275,0.00121829);(164.96679,0.02477792);(165.90198,0.00965118);(165.956069,0.34698037);(166.893647,0.00839983);(166.909667,0.04026702);(166.958069,0.00829167);(167.049353,0.00128876);(167.881416,0.00310119);(167.892149,0.00130609);(167.90381,0.00217695);(167.917537,0.00790314);(167.937076,0.00057652);(167.960509,0.00140864);(168.052684,0.00027208);(168.889012,0.173745);(168.910114,0.00263422);(168.930759,0.00418416);(169.028816,0.00027236);(169.064945,0.00105198);(169.889028,0.00614344);(169.896769,0.00072365);(170.860365,0.00274467);(170.890094,0.01727677);(170.905569,0.00076112);(171.044154,0.00944463);(171.868346,0.00034244);(172.857009,0.00033759);(172.884972,0.00853857);(172.953383,0.01309016);(173.023563,0.00075771);(173.059949,0.00068565);(173.941772,0.00051468);(173.953626,0.00129509);(174.933104,0.00660291);(174.949634,0.01254493);(174.968973,0.00203399);(175.039199,0.002027);(175.849291,0.00036547);(175.949644,0.00056495);(176.893255,0.00053294);(176.94655,0.0029606);(176.993285,0.00028018);(177.86468,0.00040053);(178.050049,0.0189714);(178.872714,0.00225054);(179.881774,0.00833131);(180.881863,0.0004422);(181.896947,0.00165599);(181.910531,0.00035633);(181.93351,0.00040256);(182.904775,0.01234294);(183.044441,0.00151151);(183.85909,0.00044654);(183.868213,0.01482);(183.876439,0.0038683);(183.89684,0.00353485);(183.912788,0.01044461);(184.001007,0.00825823);(184.503394,0.00146713);(184.912271,0.00114902);(185.060049,0.04846244);(185.865542,0.0049065);(185.874996,0.00050925);(185.891882,0.08601406);(185.961729,0.00551889);(186.063454,0.00556756);(186.85526,0.00960706);(186.891873,0.00143603);(187.039327,0.0009044);(187.862874,0.00076023);(187.871712,0.00032781);(187.887791,0.00136939);(187.961443,0.00113113);(187.977139,0.00347776);(188.8521,0.00191742);(188.893611,0.00061176);(188.927079,0.00129964);(188.948468,0.00176476);(188.969147,0.00076426);(188.984801,0.01636105);(189.881816,0.01073941);(189.956312,0.05408471);(190.9643,0.04384213);(191.87971,0.00379998);(191.935541,0.00073941);(191.952686,0.00321272);(191.966454,0.00040331);(192.065952,0.00080766);(192.960406,0.00180941);(193.013704,0.00047062);(193.859955,0.0020757);(194.905131,0.00215413);(194.927991,0.01229457);(195.044558,0.00130822);(195.875691,0.00132708);(197.060255,0.00201889);(197.985182,0.00112762);(198.0317,0.00037829);(199.039461,0.01025214);(199.876104,0.00235707);(199.90115,0.00263094);(200.043585,0.00027146);(200.907657,0.00050287);(201.018777,0.00044247);(201.055111,0.00129371);(201.878916,0.01182588);(201.923446,0.00216912);(202.886656,0.00037105);(202.96432,0.00026311);(203.875828,0.00360353);(203.972559,0.03840877);(204.972757,0.00082759);(204.980397,0.00070301);(205.859115,0.03877099);(205.89758,0.00083414);(205.971624,0.00187794);(206.866717,0.00125672);(206.905585,0.00583884);(207.011726,0.00135055);(207.856876,0.01892181);(207.912956,0.00041666);(207.952312,0.00036574);(207.967068,0.05425579);(208.904635,0.0027706);(208.920706,0.00133323);(208.957167,0.00028012);(208.969488,0.00131664);(209.852873,0.00107958);(209.892222,0.0086082);(209.909382,0.00043998);(209.951048,0.000457);(210.90004,0.07764126);(210.917444,0.00098229);(210.936411,0.00373783);(211.039527,0.00856191);(211.888625,0.00222306);(211.901062,0.00140162);(212.04314,0.00138992);(212.878628,0.00079214);(212.896001,0.00212093);(212.932665,0.00237562);(213.055312,0.00407132);(213.893429,0.00043615);(213.905528,0.00125504);(214.882323,0.0006633);(214.899738,0.00336243);(215.034605,0.00048114);(216.928182,0.0003118);(216.942837,0.0003229);(216.950695,0.00026356);(216.980438,0.00031243);(217.0049,0.00035065);(217.032739,0.00045082);(217.050076,0.00175073);(217.062985,0.00032551);(217.078316,0.00044612);(217.086954,0.00078092);(217.106061,0.000771);(217.117655,0.00053858);(217.125407,0.00068422);(217.137147,0.00111661);(217.144604,0.00110948);(217.157801,0.00076762);(217.164214,0.00043963);(219.889655,0.01076451);(220.019271,0.00026723);(220.853173,0.00593966);(220.88298,0.00268072);(220.900691,0.00115586);(221.886463,0.00359563);(222.850011,0.00390917);(222.880264,0.00045458);(222.89876,0.00031356);(224.846987,0.00046475);(225.055265,0.00114268);(225.221852,0.00101416);(225.923579,0.00026208);(226.931491,0.0009108);(227.034686,0.01172638);(227.070862,0.00040353);(227.972934,0.0017454);(228.038353,0.00081246);(228.898073,0.00655417);(228.929264,0.00307346);(228.981026,0.00201946);(229.014001,0.0002996);(229.050412,0.00394637);(229.899504,0.0009841);(229.923493,0.00269716);(230.87223,0.00051768);(230.894763,0.00762233);(231.175146,0.00197813);(231.843401,0.00074344);(232.873996,0.00240777);(232.975112,0.00485945);(236.878773,0.00433217);(237.886472,0.00051491);(239.034701,0.04730442);(240.038364,0.00556838);(241.050507,0.00332798);(243.0297,0.00124931);(243.065599,0.0007277);(243.880262,0.00074814);(244.872099,0.00100578);(245.191084,0.00073273);(245.843959,0.0022497);(245.859394,0.00895224);(245.871507,0.00029583);(245.918658,0.00220457);(246.867305,0.04332487);(246.908759,0.00847825);(247.170214,0.03864811);(247.838767,0.06776445);(247.868355,0.00060285);(248.079863,0.00276969);(248.175331,0.00698464);(248.581553,0.00038142);(248.838398,0.00027134);(248.867163,0.00757463);(249.150728,0.00287845);(249.834697,0.0030762);(250.144574,0.01715549);(250.863224,0.00208723);(251.027402,0.00232658);(251.132046,0.00131856);(251.147969,0.00070877);(251.201537,0.00066244);(251.278489,0.00180287);(251.527784,0.00057512);(252.043498,0.00052389);(253.050466,0.01860053);(253.217171,0.01201937);(254.054202,0.0008429);(254.220624,0.00070646);(255.029613,0.00428675);(255.106285,0.00026972);(255.232767,0.36357986);(255.822514,0.00032125);(256.03741,0.00278555);(256.236172,0.06488164);(257.045535,0.00378647);(257.212307,0.00031338);(257.239168,0.00410035);(257.819638,0.00037072);(258.251764,0.00265686);(258.829845,0.0003635);(259.024764,0.00172721);(261.222389,0.0042268);(261.699545,0.00348135);(261.893359,0.0006705);(262.034077,0.00131257);(262.366799,0.00050624);(263.87001,0.00236299);(264.160402,0.07136816);(265.147901,0.02999753);(265.163699,0.01104444);(266.151182,0.00280679);(267.029939,0.01249032);(267.196692,0.00060033);(267.233079,0.00218261);(267.913123,0.0013692);(268.03767,0.04792154);(268.867886,0.0009578);(269.045443,0.06887916);(269.212353,0.01915197);(269.24845,0.01405698);(269.913901,0.00064164);(270.048983,0.0107214);(270.215936,0.00136915);(270.251866,0.00028236);(270.828609,0.00524738);(270.865749,0.00028734);(271.061588,0.00113778);(271.227923,0.01067577);(272.231317,0.00037044);(272.828892,0.00075769)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.928831,0.00045912);(51.465588,0.00047053);(51.5208,0.00054086);(52.823953,0.00046404);(58.80269,0.00049264);(59.730918,0.00062726);(61.011417,0.89809409);(61.118401,0.00046692);(62.01083,0.00749995);(62.014764,0.01919355);(62.019267,0.0109918);(63.007218,0.04078976);(63.027066,0.01347904);(70.958814,0.00414603);(71.664278,0.00054462);(72.3475,0.00054617);(72.93779,0.00050688);(78.014125,0.00099854);(79.021863,0.00975716);(82.826638,0.00044108);(89.94076,0.00056291);(90.948467,0.00178148);(92.016246,0.0004795);(95.833911,0.00050347);(98.845267,0.000607);(98.97582,0.08383753);(101.003385,0.00056397);(102.968984,0.00080848);(104.158939,0.00068955);(104.930735,0.00839595);(106.697804,0.00057067);(106.703025,0.0005939);(106.926183,0.00229852);(108.914004,0.00064075);(110.911353,0.00062131);(111.241911,0.00072557);(113.431638,0.00061125);(114.948618,0.00805667);(116.267484,0.00054304);(116.948439,0.00058075);(116.986243,0.03479271);(118.305263,0.00052357);(118.943777,0.00061224);(118.947749,0.02454152);(120.940669,0.00169407);(122.941165,0.04459379);(124.936661,0.0173669);(126.9334,0.00110685);(127.323499,0.00058505);(130.963292,0.00076519);(131.961527,0.00151024);(132.958408,0.0358034);(133.948663,0.00887706);(133.958367,0.00047537);(134.919828,0.00059821);(134.941552,0.00268536);(134.955987,0.0108539);(134.996506,0.006219);(135.92774,0.00086243);(135.949259,0.00776788);(135.966586,0.00384839);(136.920259,0.00077245);(136.957408,0.0337375);(137.944713,0.00154833);(138.445237,0.00047446);(138.936026,0.00075627);(138.95201,0.01113909);(140.667574,0.00060419);(140.951059,0.00059661);(144.958274,0.00079163);(145.966621,0.00354012);(146.976583,0.03745397);(147.974944,0.02610415);(148.971879,0.56767763);(149.960944,0.00235323);(149.97243,0.01391417);(150.951292,0.02953469);(150.967247,0.0164392);(150.97288,0.05972755);(151.943992,0.00758197);(151.950528,0.00072279);(151.970003,0.00348065);(151.975628,0.00074916);(152.951654,0.12387636);(152.96746,0.03892993);(153.893856,0.00633211);(153.939172,0.00266038);(153.959504,0.06235784);(153.966354,0.00134253);(154.946898,0.04779959);(154.968325,0.00653187);(155.890553,0.00074468);(155.948381,0.00149878);(155.954874,0.02363119);(156.94446,0.00502375);(156.962806,0.00068892);(157.952223,0.00139881);(158.942789,0.0005635);(158.953701,0.00340033);(161.943407,0.00178737);(162.951327,0.01937675);(162.96903,0.00094287);(163.977313,0.00104226);(164.951596,0.07104836);(164.987207,0.00407837);(165.938516,0.00448082);(165.985855,0.00080584);(166.947129,0.03063315);(166.982447,0.0867025);(167.984547,0.00111655);(168.917332,0.08653895);(168.94409,0.00216335);(168.961866,0.00611274);(168.982847,0.11782867);(169.917741,0.00371922);(169.986494,0.00156989);(170.73423,0.00053258);(170.9138,0.02830907);(170.962445,0.03000745);(170.978275,0.04779871);(171.904331,0.00929488);(172.913876,0.01115143);(172.957805,0.01253096);(172.975489,0.00573854);(173.900989,0.0017902);(174.910249,0.00179823);(176.930523,0.00113824);(176.989464,0.03606894);(177.938174,0.01435577);(178.946506,0.00372665);(178.978384,0.00441335);(179.939111,0.00183707);(179.953988,0.01953647);(179.964031,0.00078322);(180.961948,0.02338287);(180.972864,0.00168557);(182.94451,0.00256634);(182.962245,0.0704479);(182.971434,0.00056111);(183.94894,0.00070359);(184.940168,0.00061757);(184.957681,0.03169371);(185.931211,0.00081163);(185.949277,0.00859004);(185.962245,0.00345192);(186.927871,0.16352525);(186.954538,0.00344097);(187.927747,0.0070957);(187.944229,0.00204476);(187.977073,0.00328126);(188.924758,0.05800235);(190.924083,0.00785427);(190.966365,0.06314636);(191.963814,0.03876928);(192.961837,1.0);(193.964223,0.05351563);(194.962326,0.36437509);(194.999973,0.03142979);(195.008964,0.00094747);(195.938675,0.00056214);(195.948755,0.00888313);(195.959176,0.00398932);(195.965723,0.00995751);(196.957461,0.15104794);(197.948943,0.00068649);(197.959312,0.00716411);(197.974784,0.00068536);(198.954552,0.02241267);(198.993721,0.00067419);(200.954688,0.00424516);(204.27144,0.00075027);(204.938397,0.00089821);(205.987795,0.01058021);(206.977965,0.00888774);(207.978206,0.00054259);(208.423827,0.00054766);(208.977043,0.02952531);(209.964383,0.03423775);(209.975631,0.02218503);(210.939036,0.00632763);(210.97234,0.45788795);(211.936965,0.00592506);(211.960885,0.00178946);(211.97446,0.02584977);(212.933944,0.11315035);(212.972728,0.45324793);(213.935076,0.00580039);(213.97688,0.01806665);(214.932762,0.01247534);(214.967977,0.19055126);(215.947099,0.00279939);(215.969649,0.01279981);(216.9296,0.00423033);(216.965174,0.02926574);(217.078152,0.00100945);(217.09096,0.0040603);(217.10512,0.00152222);(218.965094,0.00617873);(222.89877,0.00578366);(223.979913,0.00077805);(227.975397,0.00326469);(228.949035,0.00060789);(229.947434,0.00435636);(230.944401,0.04333436);(230.96677,0.02517576);(230.983031,0.0059084);(231.945446,0.00096293);(232.944433,0.00923397);(232.963282,0.00087075);(232.980395,0.00194211);(233.988717,0.00085336);(234.939325,0.00186429);(240.909258,0.0102894);(242.457902,0.00078752);(242.909858,0.00128997);(246.939683,0.00089945);(247.905772,0.00066454);(248.977669,0.00604504);(250.89396,0.00056857);(253.08579,0.00518659);(264.909667,0.00260956);(265.991413,0.0007249)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(53.58004,0.00018535);(56.029121,0.00013037);(57.033255,0.00028599);(57.354142,0.00012045);(57.974342,0.00115891);(58.004714,0.00038434);(58.596493,0.00012642);(59.004022,0.00032692);(59.012479,0.66229894);(59.021006,0.00049075);(59.581706,0.00012637);(59.983921,0.00170938);(59.994651,0.00011448);(60.015841,0.01081467);(61.016742,0.00017196);(61.684283,0.00011536);(61.987002,0.16587388);(62.962788,0.00045418);(63.943258,0.00018598);(63.961091,0.23131611);(63.991282,0.00038127);(64.951207,0.00047551);(64.960534,0.00014905);(65.001926,0.01112555);(65.956865,0.00523964);(65.997236,0.00018698);(66.188146,0.0001186);(66.335474,0.00013558);(66.638308,0.00014397);(67.017702,0.00024979);(68.975733,0.00018675);(68.996844,0.00267745);(69.538981,0.00017809);(69.941387,0.00023863);(70.123554,0.00011885);(70.68334,0.00018365);(71.012526,0.00023781);(72.991753,0.00415087);(73.028159,0.0004207);(74.422489,0.00020002);(74.796846,0.00029987);(74.989673,0.0003813);(76.093239,0.00011195);(76.305354,0.0001902);(76.70692,0.00017232);(76.80135,0.00011648);(76.9512,0.00028913);(78.286114,0.0001191);(78.957805,0.00073974);(78.96682,0.00042156);(78.984571,0.40138779);(79.345794,0.00011973);(79.956002,0.06027985);(79.983954,0.00030301);(79.988005,0.00121902);(80.08708,0.00011434);(80.559803,0.00018115);(80.963832,0.00814777);(80.980351,0.01197428);(81.033351,0.00015067);(81.951807,0.00036552);(83.012525,0.09320527);(83.048865,0.00139033);(84.015838,0.00263807);(85.928586,0.00176777);(87.923985,0.07306488);(87.943355,0.00608565);(88.518366,0.00012743);(88.93184,0.01745854);(88.968156,0.00021486);(89.023077,0.00068035);(89.924522,0.00012269);(90.932244,0.00300843);(91.017551,0.00017126);(92.8775,0.00019565);(92.927755,0.00049423);(92.975798,0.00057646);(92.996875,0.00221261);(93.033185,0.00034743);(93.971704,0.0601009);(94.962076,0.00062992);(94.97429,0.00019899);(94.979532,1.0);(94.997261,0.00072064);(95.012538,0.00064796);(95.933195,0.00400066);(95.950964,0.00726684);(95.967492,0.00141091);(95.978954,0.0048053);(95.982923,0.00741539);(96.679862,0.00017818);(96.95881,0.08305947);(96.975322,0.0437324);(96.983705,0.00336249);(96.991792,0.00032029);(97.028184,0.00091053);(97.699086,0.000139);(98.954572,0.00065483);(99.007436,0.00385224);(99.924486,0.03428149);(100.772131,0.00015292);(100.924579,0.00114616);(100.932285,0.00088505);(101.004463,0.00307893);(101.03853,0.000866);(101.923564,0.00619108);(102.931684,0.00077718);(102.947545,0.00164866);(103.918958,0.14354995);(103.95534,0.00917905);(104.919461,0.00094352);(104.926801,0.03617852);(104.946183,0.00063675);(104.963124,0.00096264);(105.286558,0.0001365);(105.934618,0.01426016);(106.942403,0.01566849);(107.012538,0.00280104);(108.977211,0.00018934);(108.995118,0.00087075);(109.183865,0.00012491);(109.924462,0.0037451);(109.99965,0.00236245);(110.956715,0.22858132);(110.974466,0.02718545);(111.00746,0.04569517);(111.903566,0.00064198);(111.922676,0.00072815);(111.956081,0.00080605);(111.960049,0.00035104);(112.010855,0.00067018);(112.952545,0.01714267);(112.986753,0.00011597);(113.355546,0.00021015);(113.498041,0.0001308);(113.902185,0.00014016);(114.93491,0.00063746);(114.947674,0.00033108);(115.038736,0.00176369);(115.053832,0.00015157);(115.42591,0.00015172);(115.91943,0.03499844);(116.715951,0.0001966);(116.919773,0.00095543);(116.927294,0.04339519);(117.033421,0.00024275);(117.927377,0.00142605);(118.979369,0.00030275);(118.990862,0.00262205);(119.048919,0.00902166);(120.376565,0.00013607);(120.870483,0.00011602);(120.950067,0.00847302);(120.97593,0.00167626);(120.991615,0.00013887);(121.0282,0.00182937);(122.892899,0.00850237);(122.929428,0.00127392);(122.946996,0.00101795);(123.007636,0.00017475);(123.043951,0.0001878);(123.900769,0.007952);(123.945208,0.01546472);(124.890044,0.00029317);(124.986575,0.00073378);(124.990516,0.00018655);(125.023103,0.00501188);(125.897866,0.00087044);(125.940271,0.00022322);(125.961584,0.00164551);(127.002372,0.00094633);(127.88091,0.00704762);(127.898627,0.00275751);(127.939345,0.00039546);(128.150282,0.00013232);(128.940806,0.00047506);(128.947131,0.03036645);(128.963352,0.0002179);(129.018255,0.00034337);(129.87899,0.00139992);(129.896929,0.00045256);(129.934661,0.03678029);(129.951596,0.00079543);(129.963117,0.00080976);(130.942505,0.51089612);(130.959581,0.00698951);(131.942577,0.003258);(131.94623,0.00223194);(131.971634,0.00012318);(132.939135,0.0008398);(132.946567,0.00071409);(132.958175,0.02003586);(133.028313,0.03325142);(134.031505,0.00013444);(134.635642,0.00012766);(135.007547,0.00314876);(135.917342,0.00044717);(136.898861,0.00182616);(136.925302,0.00108182);(136.986824,0.00622266);(137.924622,0.00014468);(138.920708,0.00027875);(139.002461,0.00126295);(139.878015,0.00088921);(140.190459,0.00013892);(140.895517,0.00126327);(141.867255,0.00014215);(141.896551,0.01049076);(141.911451,0.00200735);(142.846859,0.00012524);(142.874788,0.00352257);(142.892637,0.0005368);(142.942976,0.00742873);(143.033881,0.02206443);(143.049089,0.0530344);(143.864133,0.00018696);(143.894654,0.00265402);(143.908537,0.00016818);(143.950866,0.01185918);(143.970845,0.00025139);(144.037049,0.00034978);(144.052458,0.00361029);(144.871771,0.00216783);(144.958219,0.00103475);(144.994594,0.00422391);(145.028279,0.0292882);(145.949951,0.01006252);(145.966013,0.05270644);(146.031694,0.00072779);(146.937487,0.00281079);(146.973904,0.03236397);(147.043835,0.00012883);(147.945328,0.20589144);(148.939733,0.0003692);(148.946503,0.00092547);(148.953373,0.00373493);(149.023367,0.00484532);(149.906584,0.00015013);(149.942395,0.00244767);(149.949326,0.00015792);(150.898737,0.00402957);(150.905034,0.00053644);(150.914699,0.0101827);(151.002569,0.02500488);(151.886121,0.00019372);(152.105748,0.00012263);(152.893946,0.1003481);(152.916575,0.01086257);(152.930423,0.00035906);(152.935732,0.00030318);(153.005775,0.00133938);(153.018353,0.00030993);(153.894203,0.0011787);(153.908118,0.00021824);(154.889617,0.00163322);(155.049087,0.0004914);(156.890056,0.00013422);(156.92013,0.00058645);(156.937784,0.00066541);(156.962446,0.00064236);(157.86232,0.00112927);(158.036208,0.00038734);(158.428155,0.00011499);(158.862947,0.00165918);(158.918188,0.00019454);(158.9381,0.04289421);(159.859111,0.00058199);(159.938302,0.00123158);(160.84126,0.00061128);(160.861345,0.00022123);(161.961616,0.00300283);(162.554829,0.00011471);(162.838296,0.00058867);(162.892585,0.00043507);(162.950947,0.00029309);(163.002545,0.00032994);(163.482736,0.00011896);(163.960662,0.00859222);(164.894476,0.00195318);(164.91432,0.00148064);(164.930228,0.00155566);(164.966861,0.00767575);(165.901958,0.00884225);(165.956066,0.19809079);(166.893677,0.00660438);(166.909648,0.07765523);(166.958323,0.00134592);(167.049396,0.00295236);(167.460338,0.00016936);(167.881263,0.0041683);(167.89205,0.00086323);(167.90368,0.00197425);(167.909494,0.00033552);(167.917647,0.00416289);(167.960344,0.00015856);(168.052701,0.00033051);(168.889039,0.17382788);(168.910254,0.00305267);(168.930619,0.00209137);(169.028502,0.0003516);(169.064889,0.00133596);(169.889053,0.00379367);(169.896651,0.00036715);(169.943512,0.00012043);(170.86032,0.00303202);(170.867957,0.000161);(170.889869,0.01613754);(170.905626,0.00101982);(171.044141,0.0145688);(172.047729,0.00012748);(172.8571,0.0003983);(172.870075,0.00013005);(172.884998,0.00612548);(172.953474,0.00978789);(173.023544,0.00035674);(173.05892,0.00016125);(173.903984,0.00021953);(174.794451,0.00012104);(174.933084,0.00278571);(174.949871,0.00189082);(174.969038,0.00048611);(175.039187,0.00981944);(175.725257,0.00017582);(175.84948,0.00024665);(175.949791,0.00018214);(176.486945,0.00012142);(176.857008,0.00013763);(176.946226,0.00072037);(177.864695,0.00014584);(178.05,0.05377913);(178.87289,0.00122855);(179.053305,0.00056659);(179.06891,0.00011323);(179.881758,0.008509);(180.881832,0.00022441);(181.897363,0.00065447);(182.904855,0.00749996);(183.011562,0.00066722);(183.044394,0.0004045);(183.868189,0.00993658);(183.876351,0.00223817);(183.89661,0.00480675);(183.9127,0.00687554);(184.00098,0.00893181);(184.051161,0.00014643);(184.502429,0.00056141);(184.920817,0.0001208);(184.998825,0.00024431);(185.060051,0.0185191);(185.734945,0.00012224);(185.865458,0.00320292);(185.87557,0.00025026);(185.891864,0.14131579);(186.063277,0.00127751);(186.855319,0.00706019);(186.892038,0.00083797);(187.871595,0.00035312);(187.887731,0.00296484);(188.852163,0.0009059);(188.92705,0.00331326);(188.9847,0.00141592);(189.881749,0.00647126);(189.956233,0.00428193);(190.964114,0.00485701);(191.879633,0.00129044);(192.065892,0.00110401);(193.727255,0.00014363);(193.850591,0.00015754);(193.859838,0.00191856);(194.885598,0.00046447);(194.904849,0.00040674);(194.927571,0.00460487);(195.044213,0.00150137);(195.875434,0.0015114);(197.060147,0.00317897);(197.985533,0.00040308);(198.031796,0.00023825);(199.039399,0.01494488);(199.876169,0.00401231);(199.9013,0.00037616);(201.018638,0.00138331);(201.376716,0.00012398);(201.878948,0.00178486);(201.923585,0.00050609);(203.972624,0.00887401);(204.310816,0.00013606);(205.159114,0.0002225);(205.859184,0.03133302);(206.866424,0.0018953);(206.90547,0.00265581);(207.011723,0.00149952);(207.856744,0.01392794);(207.967132,0.00310263);(208.904541,0.00036455);(209.852808,0.00042522);(209.892187,0.00025585);(210.899962,0.04369658);(211.039533,0.00552887);(211.888402,0.00110788);(212.04348,0.00013526);(212.878189,0.00063824);(212.895854,0.00056567);(213.0551,0.00291122);(213.905417,0.00033784);(214.899979,0.00027055);(215.034957,0.00025559);(216.851129,0.0001508);(216.865712,0.00024639);(216.876998,0.00046547);(216.895478,0.0004404);(216.901746,0.00035767);(216.917432,0.0007866);(216.928869,0.00056473);(216.939883,0.0004902);(216.958348,0.00070949);(216.976188,0.00040756);(216.9903,0.00029772);(217.003859,0.00014155);(217.009756,0.000249);(217.023394,0.00076782);(217.041213,0.00066108);(217.050469,0.00463554);(217.063132,0.00080621);(217.075747,0.00064838);(217.082163,0.00094298);(217.092501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LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.038727,0.00012581);(50.239414,0.00013004);(50.601163,0.00016901);(51.392177,0.0001182);(52.38763,0.00010701);(52.455055,0.00011096);(52.669454,0.00010625);(52.732521,0.00010933);(53.00208,0.00012262);(53.811547,0.00012345);(54.386608,0.00011112);(55.017573,0.00025217);(55.321238,0.00010591);(56.877453,0.00011912);(56.975359,0.00013573);(57.033321,0.00026945);(57.281023,0.00020447);(57.974335,0.00149677);(58.004645,0.00109052);(58.160306,0.00011179);(58.183417,0.00011482);(58.508676,0.00013402);(58.69995,0.0001126);(59.003967,0.00078958);(59.012482,0.82649258);(59.020913,0.00059944);(59.263175,0.00011226);(59.556662,0.0001139);(59.983937,0.00621832);(60.01584,0.01443906);(60.408168,0.00012119);(60.608067,0.00010398);(60.738504,0.00015035);(60.973984,0.00085493);(61.016742,0.00080605);(61.436694,0.00010523);(61.98701,0.16751648);(62.114813,0.00015725);(62.171881,0.00011817);(62.587023,0.00016045);(62.814549,0.00011485);(62.962852,0.00111142);(63.022666,0.00549965);(63.287076,0.00013281);(63.943369,0.00379016);(63.951674,0.00027409);(63.961093,0.43890772);(63.991322,0.0001199);(64.102597,0.00015051);(64.327396,0.00010514);(64.533083,0.00018056);(64.951166,0.00051851);(64.960499,0.00046324);(64.968942,0.00122288);(65.001943,0.05493595);(65.003857,0.00019023);(65.956904,0.01563542);(65.997217,0.00021274);(66.005366,0.00054209);(66.383912,0.0001234);(66.673006,0.00015181);(67.017544,0.00157495);(68.013149,0.00018194);(68.996871,0.00929819);(69.710358,0.00012251);(69.955579,0.00011741);(71.012492,0.00039585);(71.914835,0.00013338);(71.997162,0.00012527);(72.555015,0.00011346);(72.991783,0.00330381);(73.028113,0.00026155);(73.38674,0.00016259);(73.591144,0.00012324);(73.914336,0.00010923);(74.025518,0.00011059);(74.236868,0.00014033);(74.296608,0.00069664);(74.297474,0.00072387);(74.952356,0.00012285);(74.989647,0.00021592);(75.078973,0.00012371);(75.107707,0.00011508);(76.951175,0.00108356);(77.637038,0.00016226);(78.917519,0.00010708);(78.957759,0.00176874);(78.984581,0.27988749);(79.93156,0.00112925);(79.956013,0.23589545);(79.983848,0.00010561);(79.987914,0.00024325);(80.955431,0.00023763);(80.963856,0.0137022);(80.980377,0.00641815);(81.027151,0.00012467);(81.033274,0.00048767);(81.04546,0.00012973);(81.929675,0.00019148);(81.951838,0.00654062);(81.960242,0.00027605);(82.004575,0.00011177);(82.533392,0.00011521);(83.012504,0.12346883);(83.048898,0.00017726);(84.015878,0.00308159);(84.181163,0.00011452);(85.027945,0.00013062);(85.928615,0.00193369);(86.928035,0.00010832);(87.070418,0.00011402);(87.871894,0.00010528);(87.923988,0.09315182);(87.943409,0.0083255);(88.020413,0.00011187);(88.924414,0.00023012);(88.93186,0.00883587);(88.968306,0.00026081);(89.9244,0.00099822);(90.691041,0.00011174);(90.932267,0.01060334);(90.947406,0.00010953);(91.017614,0.00344329);(91.460054,0.00010633);(91.620072,0.00013065);(92.293097,0.00011411);(92.927701,0.00305604);(92.975875,0.00063073);(92.996946,0.0027194);(93.033287,0.00245344);(93.971707,0.08209441);(94.019241,0.00016013);(94.509779,0.00011035);(94.697044,0.00012492);(94.962168,0.00149616);(94.979534,1.0);(94.99685,0.00041091);(95.012559,0.00281086);(95.048814,0.00011427);(95.155896,0.00011261);(95.191657,0.00012775);(95.933218,0.04274566);(95.95099,0.0179115);(95.967478,0.00213901);(95.979007,0.00495864);(95.982935,0.00843151);(96.551369,0.00012039);(96.958821,0.12319646);(96.975321,0.04270309);(96.983761,0.00307173);(96.991845,0.0012428);(97.028136,0.00071862);(97.750809,0.00011062);(97.929247,0.00156241);(98.954537,0.00087436);(99.00745,0.00162335);(99.924497,0.08214532);(100.924681,0.00530957);(100.932427,0.00304559);(101.004485,0.00158782);(101.038385,0.00845868);(101.923574,0.02060211);(102.055087,0.00012905);(102.766298,0.00011798);(102.921896,0.00043761);(102.931517,0.0031522);(102.947503,0.00164163);(103.074705,0.00022329);(103.918963,0.33362691);(103.938976,0.00032922);(103.955346,0.00809117);(104.181182,0.00011128);(104.673404,0.00010843);(104.909175,0.00028296);(104.919538,0.00328765);(104.92681,0.10177779);(104.947112,0.00013943);(104.963258,0.00010672);(105.03326,0.00075244);(105.489345,0.00012542);(105.927283,0.0001624);(105.934633,0.02026829);(106.266742,0.00011346);(106.942409,0.03692717);(107.012597,0.02444095);(107.840313,0.00021513);(108.0204,0.00017411);(108.995337,0.00082481);(109.999645,0.01031433);(110.297416,0.00010549);(110.738685,0.00013288);(110.956732,0.27782145);(110.974493,0.0268956);(111.007464,0.01989988);(111.903691,0.0039703);(111.956061,0.00176223);(111.960133,0.00074498);(112.591387,0.00013928);(112.801952,0.00013016);(112.952566,0.02152713);(113.756347,0.00012604);(113.803143,0.00011975);(113.901831,0.0005552);(114.170607,0.00013708);(114.664164,0.00016368);(114.935206,0.00050068);(114.948191,0.0002194);(115.038781,0.00020588);(115.053886,0.00028658);(115.331809,0.00011449);(115.919446,0.0358245);(116.410085,0.00016232);(116.919791,0.00093895);(116.92732,0.03840802);(116.932838,0.00027614);(117.033313,0.00215071);(117.927475,0.00124305);(118.042143,0.00014731);(118.318819,0.00010925);(118.979574,0.00022587);(118.99087,0.00148317);(119.048977,0.01555701);(119.896124,0.00055528);(120.0523,0.00022923);(120.836603,0.00010876);(120.904016,0.00082892);(120.975732,0.00040823);(121.028328,0.00377702);(121.950026,0.00015733);(122.479119,0.00010713);(122.892923,0.01574875);(122.956001,0.00011586);(122.983687,0.00027008);(123.007522,0.00071995);(123.484463,0.00011742);(123.900841,0.00555781);(123.945235,0.03059367);(124.889991,0.00229843);(124.98654,0.00022971);(125.023208,0.00089127);(125.503105,0.00012454);(125.871997,0.00115617);(125.89798,0.00050424);(125.961657,0.00266402);(126.742016,0.00010866);(126.873153,0.0009996);(127.002216,0.00011562);(127.817202,0.00038938);(127.869105,0.00062752);(127.880906,0.02927183);(127.898708,0.00974579);(128.643198,0.00010833);(128.871298,0.00019184);(128.940705,0.00010726);(128.947184,0.01519349);(128.963261,0.0001385);(129.033419,0.00119447);(129.185485,0.00011239);(129.776716,0.00014499);(129.879274,0.00868701);(129.896917,0.00325094);(129.934699,0.01903393);(129.951792,0.00031811);(130.923659,0.00028847);(130.942515,0.29722388);(130.959629,0.00109471);(131.94271,0.00077198);(131.945664,0.00028736);(132.020692,0.00034096);(132.938968,0.00022837);(132.958219,0.00016553);(133.02831,0.13941812);(133.300658,0.00014474);(134.013395,0.0001364);(134.031652,0.00762092);(134.879623,0.00016648);(135.007654,0.00102116);(135.917624,0.00011934);(136.898943,0.00839688);(136.986854,0.00716885);(138.870355,0.00025769);(138.899424,0.00049999);(139.00254,0.00123828);(139.054367,0.00046427);(139.877908,0.00027783);(140.895309,0.000297);(141.033331,0.00048129);(141.867208,0.00020962);(141.89662,0.01174335);(141.911529,0.00185683);(141.931035,0.00018935);(142.041362,0.00047211);(142.874913,0.00045922);(142.942928,0.00046364);(143.034021,0.0014508);(143.049128,0.04215098);(143.894811,0.00268058);(143.908633,0.00013952);(143.95087,0.00096937);(144.052532,0.00260935);(144.871984,0.00025906);(144.958452,0.00022089);(145.028348,0.05107704);(145.950036,0.00249138);(146.031768,0.00264799);(146.917327,0.00012046);(146.937609,0.00023911);(146.97407,0.00118911);(147.0442,0.00038433);(147.945322,0.09958948);(148.051967,0.00172848);(148.946413,0.00011332);(148.953442,0.00171334);(149.023423,0.00992812);(149.059823,0.00019547);(149.907116,0.00042336);(149.942561,0.00092045);(150.358743,0.00015732);(150.898762,0.00266115);(150.914727,0.00500914);(151.002589,0.02531119);(151.886451,0.00019954);(152.401448,0.00011084);(152.893944,0.07092969);(152.916605,0.0156031);(153.379054,0.00012072);(153.894232,0.00056838);(154.865114,0.00028642);(154.889686,0.00074065);(155.049374,0.00020635);(155.643069,0.00011402);(156.713004,0.00016851);(157.862019,0.00050001);(158.93799,0.00479808);(159.044415,0.00012163);(159.892594,0.00013735);(160.841198,0.00021436);(161.365648,0.00010818);(161.659488,0.00012542);(162.796952,0.00011275);(162.838038,0.00027112);(162.892405,0.00022947);(163.002689,0.00083939);(163.038965,0.00013834);(163.886061,0.00011202);(163.960713,0.00021307);(164.894658,0.00310633);(164.914488,0.00296229);(164.93033,0.0033963);(165.902027,0.00474165);(165.956063,0.04459158);(165.989869,0.00180508);(166.89359,0.0029402);(166.90968,0.09771708);(167.049373,0.00536266);(167.650239,0.00011972);(167.881375,0.00265222);(167.892004,0.00077674);(167.903711,0.00600863);(167.910181,0.00038751);(167.917564,0.00102348);(168.881459,0.00037611);(168.889041,0.10348506);(168.910418,0.00081989);(169.028286,0.00033633);(169.064981,0.00080283);(169.881658,0.00056882);(169.889233,0.00052859);(169.897019,0.00036472);(170.003096,0.0001434);(170.86035,0.00470841);(170.889907,0.01051434);(170.905418,0.00017561);(171.012857,0.00011745);(171.044314,0.00974092);(171.877627,0.00014135);(171.982231,0.00013852);(172.324139,0.00017669);(172.857207,0.00067501);(172.885108,0.00312584);(172.953464,0.00206837);(173.517647,0.00012972);(173.903686,0.00100283);(174.031244,0.00016678);(174.933152,0.00051001);(175.039277,0.0118143);(177.865345,0.00020843);(178.050093,0.09616155);(178.872271,0.00013408);(179.053455,0.00396166);(179.881842,0.00955734);(181.896842,0.00034083);(182.903566,0.00020023);(183.011453,0.00848053);(183.044258,0.00013959);(183.868332,0.00068749);(183.876357,0.0006161);(183.896714,0.00566109);(183.912564,0.00327036);(184.001046,0.00265833);(184.019448,0.00011821);(184.051863,0.00036258);(185.060102,0.00284731);(185.6423,0.00013485);(185.877095,0.00026231);(185.891865,0.15027826);(186.855371,0.00386203);(186.892221,0.0009109);(187.887889,0.00216936);(188.852409,0.00050961);(188.92725,0.00167686);(189.055443,0.00015829);(189.882006,0.00015711);(189.96465,0.00021489);(190.783586,0.00020385);(192.065915,0.00085186);(193.053546,0.00010529);(193.859907,0.00266857);(193.957993,0.00011858);(194.885443,0.00011232);(194.904581,0.00010509);(195.044396,0.00128923);(195.87579,0.00078981);(196.371973,0.00013588);(197.060212,0.00037191);(197.353679,0.00011865);(198.031747,0.00073071);(199.039464,0.00831019);(199.876079,0.00318122);(201.018776,0.00151925);(203.972404,0.00017001);(205.158709,0.00026114);(205.435215,0.0001413);(205.859278,0.00497338);(206.00317,0.00027449);(206.866282,0.00156432);(207.011576,0.00061957);(207.856679,0.0011506);(210.899887,0.00132333);(210.917117,0.00011385);(211.039497,0.00362894);(212.878504,0.00122281);(213.055315,0.00061691);(214.899841,0.00012459);(215.034485,0.00033061);(215.871301,0.00017532);(217.04997,0.00121592);(219.139217,0.00015918);(219.78909,0.00010946);(220.018961,0.00021098);(220.234624,0.00012258);(220.258776,0.00011372);(220.284663,0.00020621);(220.304128,0.0001655);(220.324443,0.00025193);(220.352125,0.00016026);(220.368389,0.0001514);(220.396616,0.00026734);(220.424271,0.00012016);(220.442906,0.00013311);(220.469834,0.00010885);(220.491976,0.0002369);(220.540712,0.00030637);(220.558933,0.00040354);(220.573844,0.00029536);(220.582235,0.00026138);(220.589229,0.00030248);(220.602912,0.00013573);(220.617837,0.00030295);(220.620092,0.00029576);(220.626082,0.00035548);(220.638964,0.0007708);(220.653286,0.0009007);(220.674258,0.00104436);(220.681881,0.0007929);(220.699054,0.00024814);(222.399754,0.00011181);(223.039587,0.00116903);(228.784087,0.00010945);(230.477933,0.00013477);(230.894888,0.00032455);(231.175162,0.00166501);(231.660001,0.00013506);(233.027172,0.00025838);(235.23292,0.00023504);(236.434241,0.00012422);(239.034634,0.00441407);(239.578658,0.00011875);(240.038747,0.00012738);(241.050662,0.00015319);(247.170212,0.00505094);(247.839235,0.00011022);(251.686283,0.00022099);(251.894603,0.00013952);(257.571087,0.00019629);(264.878021,0.00010868);(265.093857,0.00012883);(267.029999,0.00053611);(268.03752,0.00198866);(269.414017,0.00012441)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.173504,0.00058717);(51.137717,0.00052698);(52.44276,0.00075593);(53.095389,0.00075364);(53.469184,0.00056294);(54.464842,0.00070529);(55.935306,0.00061877);(57.935711,0.00166334);(59.228447,0.00054991);(61.011418,1.0);(62.01083,0.00486718);(62.014775,0.02032834);(62.019249,0.0255336);(62.038741,0.00074886);(62.716547,0.00076331);(62.881179,0.00093926);(63.00722,0.04740969);(63.027104,0.00680203);(63.838971,0.00057477);(64.51332,0.00071139);(64.530253,0.00049047);(65.125486,0.00050799);(65.393909,0.00090429);(65.954826,0.00076489);(67.790979,0.00080939);(68.833812,0.00057235);(70.016128,0.00069575);(70.958521,0.02103807);(72.937917,0.00776434);(75.946065,0.00492644);(77.941497,0.00073109);(78.014077,0.00094783);(79.021904,0.01277634);(86.723029,0.00082277);(87.907145,0.00078002);(89.940418,0.00267752);(90.903991,0.00080022);(90.948265,0.00688105);(91.227061,0.00063289);(92.35306,0.00062051);(93.923631,0.0006173);(95.203862,0.00056507);(98.975808,0.08638439);(98.979236,0.00133409);(100.363218,0.00068374);(100.734389,0.0006713);(101.950188,0.00077882);(102.915168,0.00361329);(102.93052,0.0009103);(104.930771,0.01970299);(105.917402,0.0028099);(105.956017,0.00058563);(106.926275,0.00944803);(108.914081,0.0028668);(110.403771,0.00057565);(112.892073,0.00068479);(114.948257,0.00193169);(116.986275,0.0424714);(117.91749,0.0018929);(118.925326,0.00075231);(118.947761,0.02557988);(119.938534,0.00067765);(120.813854,0.00058326);(120.940734,0.00818695);(122.941182,0.08490004);(122.946166,0.00105491);(124.936626,0.03483018);(126.933893,0.0011901);(130.963298,0.00084433);(131.953466,0.00090031);(131.961664,0.00689092);(132.941096,0.00087783);(132.958417,0.05855633);(133.948252,0.0162386);(134.920014,0.00187542);(134.940999,0.00633415);(134.956956,0.01391562);(134.979026,0.00056341);(134.996581,0.00435422);(135.927845,0.00688664);(135.949016,0.00311919);(135.966535,0.01314969);(136.920302,0.00331413);(136.936546,0.00068023);(136.957603,0.03652782);(137.92822,0.0074694);(137.944756,0.00077223);(137.961866,0.00254086);(138.915539,0.00093377);(138.936013,0.00097069);(138.951889,0.01696326);(139.9234,0.00291781);(140.951488,0.00329205);(142.947028,0.00065491);(144.958457,0.00203249);(145.966658,0.00373735);(146.976561,0.05411722);(147.974955,0.03424486);(148.971935,0.83156045);(149.96113,0.00673392);(149.972398,0.02190996);(150.95129,0.03388668);(150.968152,0.04589504);(150.972778,0.03652536);(151.943813,0.00285101);(151.959077,0.00228155);(151.970254,0.00742047);(152.951602,0.22324101);(152.96776,0.04489847);(153.893785,0.02206152);(153.939262,0.00165565);(153.959392,0.2006223);(154.947055,0.09231096);(154.963765,0.00764164);(154.968255,0.00579476);(155.890629,0.00549062);(155.947818,0.0046551);(155.954805,0.08382996);(156.944441,0.01377625);(157.95214,0.00972236);(158.953814,0.00349088);(162.951291,0.01202588);(163.977148,0.00352533);(164.951502,0.0335426);(164.987405,0.00724923);(165.938374,0.00572836);(166.947267,0.01256682);(166.982444,0.13026474);(167.956443,0.00079185);(167.983939,0.00073538);(168.917261,0.05323818);(168.961716,0.00865336);(168.982977,0.11660412);(168.991339,0.00148097);(169.917691,0.0012561);(169.95351,0.00070846);(169.987088,0.00086728);(170.91424,0.01400922);(170.962377,0.05615956);(170.978203,0.0467115);(171.633908,0.00060629);(171.904391,0.03727077);(172.913845,0.00263054);(172.957682,0.02033513);(172.975489,0.00344671);(173.316948,0.00103908);(173.901231,0.0116158);(174.954371,0.00066932);(176.930189,0.00103294);(176.941351,0.00274066);(176.989479,0.0054593);(177.938239,0.03966214);(178.978517,0.00285918);(179.938987,0.00080593);(179.954004,0.00641927);(180.961764,0.01315557);(180.974384,0.00078682);(182.962346,0.03119387);(184.95758,0.01339598);(185.949307,0.02921119);(186.927869,0.107413);(186.954384,0.00080126);(187.928783,0.00329868);(187.944803,0.01399384);(188.924681,0.03795877);(188.974477,0.00286374);(189.99789,0.00075995);(190.924531,0.00108677);(190.966406,0.02045926);(191.964365,0.01483803);(192.961777,0.34267897);(193.963696,0.01537236);(194.941322,0.00077139);(194.951859,0.00104762);(194.962275,0.08615612);(195.000121,0.00379479);(195.949054,0.03661269);(195.965311,0.00173883);(196.957595,0.03339802);(197.94914,0.00553705);(198.954658,0.00472501);(205.987729,0.00486438);(206.977704,0.00560457);(208.977118,0.00793188);(209.964486,0.00413938);(209.975434,0.00900892);(210.9723,0.16727893);(211.975393,0.00896853);(212.933843,0.02077947);(212.972719,0.11893931);(213.975465,0.00275669);(214.930296,0.00073775);(214.968119,0.04921053);(215.969096,0.0006228);(216.965753,0.00811048);(217.08764,0.00866149);(222.898813,0.0116834);(230.944431,0.00566944);(230.96654,0.00868139);(237.069988,0.00071878);(240.909565,0.01225637);(242.909285,0.00076227);(246.938358,0.00061348);(248.977459,0.00117407);(253.086749,0.00074168)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(52.842791,0.0015576);(53.508458,0.00140948);(53.939978,0.00095317);(54.392711,0.00113141);(54.938307,0.00238175);(55.735687,0.00134221);(55.776708,0.00143112);(55.935178,0.05487982);(55.936622,0.00114605);(56.94301,0.01022117);(56.965542,0.02897853);(57.933936,0.0025396);(57.935569,0.10121513);(58.417871,0.00084371);(59.931005,0.04371003);(59.972549,0.00070225);(61.011409,1.0);(61.928618,0.00304001);(62.010795,0.00546778);(62.01483,0.02567034);(62.019241,0.10020483);(62.518139,0.00090446);(62.990547,0.00118375);(63.007218,0.04487911);(63.02268,0.0008257);(63.02706,0.05371423);(64.015061,0.00251756);(66.52498,0.00135289);(66.610544,0.00075904);(68.963259,0.02369592);(69.961687,0.01896956);(70.942497,0.00941548);(70.958572,0.41022377);(71.012349,0.00093553);(71.930008,0.02931553);(71.941064,0.00078486);(71.95261,0.01006872);(71.958983,0.00749501);(71.962019,0.00112041);(72.937829,0.14196526);(72.956832,0.00121291);(72.958987,0.02084362);(73.930423,0.00361131);(73.938214,0.00127785);(73.9457,0.00370427);(74.93819,0.0015736);(74.953795,0.0026064);(75.946014,0.0926695);(77.941445,0.035087);(78.014024,0.00312894);(79.021862,0.04522704);(79.938976,0.00283717);(83.191291,0.00079381);(85.178585,0.00086993);(85.574894,0.00083511);(85.945989,0.00172169);(86.953313,0.01029747);(86.973702,0.000877);(87.907008,0.01895505);(88.914831,0.01017818);(88.953048,0.00127089);(88.968986,0.07752436);(89.906906,0.00147462);(89.940424,0.03616148);(90.903744,0.07503769);(90.945197,0.00163724);(90.948259,0.09560164);(90.951494,0.00149186);(90.969375,0.00111719);(91.904001,0.00130135);(91.940827,0.00085938);(92.900828,0.02033208);(92.903805,0.00157901);(93.95641,0.04379596);(95.951896,0.01029129);(97.705668,0.00095156);(98.972186,0.00207276);(98.975811,0.14447801);(101.902967,0.00155538);(101.950312,0.0034387);(102.915193,0.02992591);(102.930441,0.01543194);(102.948184,0.01407234);(102.968578,0.00296475);(103.924375,0.00936473);(103.977187,0.00353162);(104.910459,0.01105156);(104.930719,0.05732669);(104.9638,0.01470179);(105.917452,0.04355585);(105.956289,0.00833327);(106.9261,0.02376969);(106.979795,0.00089104);(107.950936,0.01229647);(108.914282,0.01537681);(108.925897,0.00150348);(108.958697,0.00557916);(110.911148,0.0017418);(114.947941,0.00279569);(116.909434,0.00119491);(116.930231,0.00106525);(116.971546,0.00143783);(116.986296,0.07374973);(117.917241,0.0227504);(117.956095,0.00316968);(118.891604,0.00101801);(118.92521,0.035641);(118.943144,0.00164913);(118.947832,0.03912886);(120.925569,0.01013936);(120.940772,0.07954819);(120.957959,0.00097153);(121.793125,0.00179427);(121.795789,0.00102796);(121.800243,0.00237085);(121.913192,0.00207555);(122.249386,0.00100591);(122.920948,0.00268697);(122.941192,0.20949894);(123.92783,0.00173237);(123.944443,0.00130118);(123.948997,0.00389759);(124.936581,0.08614088);(125.960888,0.00115703);(126.93389,0.00867265);(127.281851,0.00080779);(128.933996,0.00100996);(130.963085,0.01944481);(131.961481,0.03915324);(132.940703,0.00137446);(132.958391,0.32653786);(133.932701,0.00107441);(133.94846,0.0883084);(133.95838,0.00507267);(134.920008,0.01518621);(134.931185,0.00110259);(134.941546,0.008243);(134.957439,0.05211977);(134.996468,0.01752573);(135.927751,0.03338096);(135.94888,0.01074606);(135.966599,0.04235292);(136.920294,0.01048507);(136.935468,0.01556614);(136.953227,0.0061551);(136.958242,0.03137232);(137.928127,0.1259047);(137.944203,0.00576374);(137.962028,0.01632219);(138.915904,0.00143171);(138.935916,0.01765799);(138.951235,0.03314303);(139.923476,0.05403328);(140.923439,0.00136758);(140.931302,0.00597473);(140.95151,0.00848007);(141.9208,0.00325245);(144.958725,0.00157897);(145.585869,0.00112055);(145.966669,0.00759475);(146.976553,0.05647012);(147.927465,0.00167603);(147.974922,0.02884146);(148.971882,0.92490855);(149.96112,0.04229876);(149.972293,0.0423615);(150.951223,0.05265531);(150.968597,0.28842855);(151.959041,0.05387073);(151.97028,0.00551718);(152.896318,0.00100075);(152.930848,0.00554402);(152.951656,0.23025085);(152.969056,0.12873651);(153.893708,0.06735124);(153.959339,0.86610616);(154.893697,0.00128599);(154.940588,0.00136529);(154.946989,0.09311379);(154.963764,0.0437252);(155.890448,0.01997341);(155.954802,0.36617939);(155.962967,0.00269216);(156.945687,0.01905926);(156.954997,0.01089375);(156.962741,0.00278038);(157.951983,0.04651796);(158.942389,0.0037762);(158.953427,0.00124776);(158.961281,0.00142053);(159.952051,0.00607629);(160.95091,0.00099807);(161.307786,0.00081173);(163.977146,0.00171073);(164.951347,0.00197773);(164.987106,0.00676173);(165.938228,0.03271341);(166.982423,0.14793502);(167.956188,0.00300083);(167.971679,0.01878275);(167.983321,0.00247909);(168.917367,0.01440275);(168.92449,0.00095006);(168.961582,0.0103042);(168.983568,0.02830096);(169.917768,0.00477194);(170.914588,0.0047835);(170.962843,0.07964467);(170.979103,0.01923954);(171.904372,0.12368456);(172.904526,0.0013329);(172.957761,0.02313037);(172.97517,0.00278853);(173.901005,0.04820882);(176.940909,0.00165482);(176.975165,0.00126792);(177.938205,0.06975717);(179.938649,0.00084807);(180.888201,0.00785958);(180.962159,0.00137506);(181.300763,0.00134839);(182.952067,0.00148201);(183.948594,0.00275414);(185.949174,0.13942181);(186.927796,0.03598548);(186.935908,0.00249964);(187.928999,0.00090354);(187.944577,0.06531026);(188.924879,0.01183104);(188.945881,0.00153277);(188.974042,0.0158382);(189.915786,0.00104845);(189.942171,0.0079218);(192.96168,0.02910602);(193.953257,0.00120782);(194.941487,0.00086411);(194.951726,0.00509943);(194.961973,0.00384667);(195.94878,0.06588064);(197.79299,0.00106957);(197.949147,0.00494592);(199.944851,0.00158714);(210.972553,0.01423868);(212.972492,0.001605);(214.968622,0.0012612);(220.649063,0.00497549);(222.898866,0.014129);(227.220002,0.00095724);(240.909228,0.01919066)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.494344,0.00005686);(52.046201,0.00006168);(52.179268,0.00005883);(52.205859,0.00006205);(52.398114,0.00006472);(52.869857,0.00006284);(54.516095,0.00007611);(55.021181,0.00005851);(55.315964,0.00005441);(55.348462,0.00005975);(55.355968,0.00005782);(55.433515,0.00005339);(56.564714,0.00006242);(56.723329,0.00006163);(56.913151,0.00008149);(57.695429,0.00005584);(58.437232,0.00007202);(58.945534,0.00006323);(59.416062,0.00007736);(60.722406,0.00005573);(60.911811,0.00007779);(61.660862,0.00006027);(62.068208,0.00005429);(62.261622,0.00007363);(62.290112,0.00005548);(63.951943,0.00005586);(64.856828,0.00005877);(65.001937,0.00258903);(65.265865,0.00007217);(66.674884,0.00007261);(67.270086,0.00006241);(67.386473,0.00006173);(67.598857,0.00007605);(67.929667,0.00006781);(69.062356,0.00005641);(69.202931,0.00007498);(70.459347,0.00006082);(71.08819,0.00006424);(74.461159,0.00006811);(75.968335,0.00006286);(77.120681,0.00007294);(77.146538,0.00007789);(77.610538,0.0000574);(78.486121,0.00007294);(78.83288,0.00005664);(78.942272,0.00006872);(79.265392,0.00006758);(80.481624,0.0000631);(81.124675,0.00009157);(82.791695,0.00006437);(83.719607,0.00006832);(84.30704,0.00006625);(85.262503,0.00007228);(85.585704,0.00006084);(86.114923,0.0000677);(86.426266,0.00005891);(86.992932,0.00006278);(87.285005,0.00005479);(89.846104,0.00006526);(90.114619,0.00007278);(90.242011,0.00005866);(92.645469,0.00006869);(93.698047,0.00006209);(94.803357,0.00006346);(94.936951,0.00009804);(95.012182,0.00017241);(96.992326,0.00005844);(99.491063,0.00008502);(102.400726,0.00006064);(107.611948,0.00006634);(107.774535,0.00007009);(107.826003,0.00005618);(108.239076,0.00005758);(109.999799,0.00013225);(111.354934,0.00006101);(112.79848,0.00006054);(113.721815,0.00006661);(115.844172,0.00007298);(115.960778,0.00007951);(116.002981,0.00008256);(117.077787,0.00006814);(117.475113,0.00008907);(118.425253,0.00006596);(123.007511,0.0012537);(123.508053,0.00005792);(124.5666,0.00007469);(125.023148,0.00036172);(125.047189,0.00006578);(128.256249,0.00006514);(132.085569,0.00008785);(133.434549,0.00005891);(134.85925,0.00006);(136.986921,0.01019818);(137.074676,0.0000663);(137.990152,0.00041197);(138.193921,0.00006205);(138.798737,0.0000863);(139.002577,0.00097638);(141.069887,0.0035078);(141.352144,0.00007764);(143.049161,0.00083253);(145.028392,0.00058976);(149.994728,0.00009833);(151.05379,0.00006637);(151.231484,0.0000658);(153.06993,0.00054417);(154.176457,0.00005785);(155.418392,0.0000678);(155.969098,0.00006777);(157.065071,0.0004505);(157.319775,0.00006592);(158.144731,0.00006058);(163.002307,0.00008437);(163.080423,0.00005751);(164.981872,0.00074229);(165.98984,0.00048092);(166.088478,0.00008055);(166.997659,0.00319484);(167.04944,0.00075448);(167.652559,0.00007257);(169.064998,0.01873634);(170.068238,0.00183889);(171.044152,0.00212916);(171.080625,0.00379716);(171.088476,0.00010582);(171.86306,0.00008974);(172.047934,0.00006926);(172.245131,0.00008489);(172.397565,0.00006176);(173.060681,0.0001893);(177.990168,0.00026275);(179.049292,0.00075804);(180.67058,0.00008751);(181.065064,0.00170092);(183.044378,0.00081234);(184.052348,0.00024366);(185.060008,0.00169667);(187.075755,0.00024886);(193.702502,0.00006506);(195.044488,0.00674847);(195.91806,0.0000822);(196.051917,0.00049684);(197.06019,0.01924241);(198.063528,0.00192999);(199.038914,0.00010075);(200.074542,0.00007122);(201.055392,0.00016473);(204.655907,0.00008375);(207.044625,0.00194918);(211.039353,0.00109494);(212.047969,0.00006927);(213.055013,0.00497968);(214.058307,0.00018889);(215.917697,0.00113107);(215.927222,0.00115784);(215.940205,0.0004679);(216.144565,0.00007616);(223.039636,0.02072806);(224.044583,0.00303997);(225.055435,0.01217728);(226.058744,0.00116751);(227.653904,0.00007106);(239.034791,0.03325006);(240.038079,0.01142024);(241.050704,0.0239864);(242.053793,0.00291174);(251.034985,0.03110294);(252.038389,0.00501293);(259.24789,0.00006726);(259.743699,0.00006338);(267.029972,0.01563978);(268.03619,0.01412009);(268.061434,0.00091368);(269.045697,1.0);(270.049024,0.15964232);(270.263801,0.00007668);(271.051104,0.0068564)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.10396,0.00003207);(50.138661,0.00001872);(50.2955,0.00002911);(50.412195,0.00001773);(50.723166,0.00003472);(50.78009,0.0000151);(51.070094,0.00006248);(51.128839,0.00006646);(51.607967,0.00003121);(51.879006,0.0000683);(51.905523,0.00002922);(52.139226,0.00003274);(52.67029,0.00001559);(53.088128,0.00001527);(53.393251,0.00006117);(54.058612,0.0000657);(54.191825,0.00002683);(54.259817,0.00002986);(54.632101,0.00001337);(54.802659,0.00003235);(54.827707,0.00008613);(54.876418,0.00001649);(55.3728,0.00001412);(55.667074,0.00003625);(56.02382,0.00001826);(56.764584,0.00024);(57.041168,0.00006295);(57.07064,0.00006964);(57.295308,0.00001312);(57.400017,0.00003322);(57.421542,0.00001732);(57.511109,0.00003207);(57.520142,0.0000317);(57.695552,0.00003208);(57.703384,0.00001633);(58.531358,0.00006902);(58.553274,0.00003328);(58.853218,0.00002285);(58.975828,0.00007338);(59.63241,0.00003279);(59.850469,0.00003311);(59.948689,0.00003368);(60.093083,0.00002893);(60.104301,0.00001456);(60.477536,0.00002947);(60.514199,0.00002638);(60.594933,0.00001523);(60.913494,0.00003577);(60.980112,0.00001655);(61.011355,0.07573213);(61.112007,0.00002925);(61.735001,0.00001808);(61.872626,0.00003486);(62.010829,0.00021807);(62.014742,0.00084029);(62.036575,0.00003092);(62.313486,0.0000301);(63.007161,0.00115039);(63.238513,0.00009491);(63.3629,0.00003698);(63.905852,0.00001361);(64.393811,0.00001749);(64.457511,0.0000146);(64.601242,0.00003479);(64.747178,0.00003483);(64.823489,0.00001525);(65.525241,0.00006392);(67.018484,0.00034225);(67.054906,0.00004187);(67.252268,0.0000147);(67.639106,0.00047836);(67.798977,0.00001426);(67.919371,0.00001478);(68.322744,0.00001765);(68.496124,0.00001997);(69.070588,0.00002962);(69.342103,0.00001831);(70.590368,0.00001638);(70.89202,0.00002129);(70.901062,0.00002482);(70.958691,0.00026747);(71.199065,0.00003171);(71.465038,0.00003344);(71.977031,0.00001632);(72.679881,0.00002273);(73.241931,0.00002345);(73.826638,0.00003182);(73.873678,0.00003788);(74.071773,0.0000126);(75.017204,0.00003197);(75.203358,0.00003705);(76.864297,0.00003053);(76.947345,0.00001444);(77.153231,0.00001601);(77.727617,0.00001514);(78.988927,0.00001447);(79.399529,0.00003373);(79.497408,0.00001757);(79.774616,0.00003101);(79.899515,0.00006401);(80.691827,0.00001733);(80.91344,0.00006877);(81.07045,0.0001141);(82.156878,0.00001756);(83.086003,0.00005395);(83.118931,0.00001632);(83.137215,0.00001443);(83.578481,0.00003003);(83.704779,0.00003662);(84.507628,0.00006996);(85.605214,0.00003207);(85.759427,0.00007713);(85.771348,0.00003251);(86.301245,0.00006705);(86.423182,0.00003579);(87.016457,0.00001414);(87.348213,0.00001529);(87.367849,0.00001538);(89.348049,0.00001575);(90.460715,0.00003046);(90.638079,0.00002515);(91.009732,0.00003633);(91.092923,0.00003561);(91.402871,0.00002976);(91.597667,0.00001389);(91.955269,0.00003804);(92.304505,0.00003361);(92.990135,0.00003009);(92.997881,0.00004393);(93.077708,0.00001733);(94.464754,0.00001452);(94.494419,0.00001263);(95.085922,0.00013885);(95.644575,0.00001865);(96.378859,0.00001537);(96.430421,0.00003067);(97.818873,0.00003421);(98.165363,0.00002662);(98.507588,0.00002067);(99.279195,0.00003331);(100.704391,0.00002951);(101.468396,0.00001499);(103.415774,0.00003105);(104.070987,0.00024955);(104.165495,0.00003561);(104.930559,0.00007899);(104.992622,0.00009291);(105.033803,0.00036638);(105.31415,0.00002392);(105.700008,0.00001843);(106.736487,0.00001671);(107.967161,0.00004539);(109.101261,0.00004619);(109.29853,0.00006699);(109.847275,0.0000161);(109.856494,0.00001889);(110.143776,0.0000419);(110.340826,0.00003285);(110.396512,0.0000839);(110.505989,0.00001866);(111.611929,0.00003197);(111.630976,0.00003291);(111.887131,0.00002485);(114.178964,0.00001626);(114.676446,0.0000294);(114.948542,0.00124955);(116.280886,0.00001432);(116.591347,0.00003315);(118.223576,0.00003002);(119.357864,0.00008345);(119.854699,0.00002965);(120.434248,0.00003395);(120.700246,0.00001626);(120.747512,0.00003389);(120.940613,0.00027448);(121.101009,0.00003751);(122.940986,0.00102953);(123.008246,0.00023036);(125.18961,0.00003316);(126.930204,0.00007213);(128.046669,0.00007766);(129.033466,0.00017596);(129.271287,0.00001906);(130.150366,0.00003516);(131.796004,0.0000188);(131.961329,0.00023331);(132.532935,0.00002034);(132.958253,0.00155633);(133.948872,0.00099067);(134.438779,0.00004212);(135.228372,0.00003335);(136.956682,0.00019415);(137.519726,0.00001798);(138.624183,0.00001552);(139.00246,0.00060212);(140.802794,0.00003214);(141.063382,0.00003079);(142.032733,0.00001803);(143.135867,0.00004177);(143.227076,0.00007081);(143.275708,0.00003532);(143.636129,0.00001767);(145.947538,0.00004038);(146.234385,0.00003252);(146.97592,0.00008526);(147.043903,0.00215014);(147.116158,0.00003937);(147.974634,0.00209286);(148.50115,0.00003543);(148.97172,0.05243669);(149.972565,0.00097768);(149.974883,0.0009991);(150.951067,0.00076393);(150.968324,0.0012152);(150.972324,0.00118428);(151.13885,0.00001709);(151.622882,0.00003784);(152.226166,0.00001592);(152.932125,0.00005129);(152.951448,0.00311215);(153.959153,0.00080341);(154.665103,0.00003287);(154.879534,0.00003047);(158.704079,0.00001677);(158.885851,0.00003686);(161.138814,0.0000364);(162.950909,0.00320934);(163.055571,0.00004537);(163.942481,0.00010146);(164.798867,0.00002182);(164.951433,0.0024118);(165.038536,0.00001655);(166.390244,0.00004044);(166.982261,0.00719867);(167.190785,0.00001678);(167.985134,0.00007016);(168.15508,0.00001855);(168.961293,0.00013219);(168.982703,0.00288133);(169.012967,0.0001588);(170.961818,0.0001248);(172.088743,0.00008073);(173.755015,0.00002483);(174.802624,0.00003037);(175.289879,0.00007145);(176.94061,0.00013858);(177.937978,0.00227338);(178.097254,0.00001674);(179.022534,0.0001052);(179.964993,0.00002084);(180.961427,0.0034328);(182.962152,0.00218524);(187.582849,0.0000378);(190.966229,0.00094662);(191.964515,0.01177033);(192.961495,0.18030393);(193.964201,0.00835094);(194.132529,0.00001577);(194.962391,0.01373063);(195.471899,0.00001787);(195.94872,0.00117064);(197.507358,0.00003482);(200.486047,0.00001697);(200.795507,0.00001776);(204.107951,0.00001799);(204.47008,0.00003549);(205.922499,0.00003812);(207.543545,0.00003769);(208.977379,0.00010401);(209.975095,0.00633663);(210.184961,0.00025705);(210.972053,0.07855604);(211.010642,0.00002535);(211.180262,0.00001616);(211.974435,0.00431896);(212.948962,0.00006087);(212.972573,0.01720346);(213.054287,0.00068901);(215.843984,0.00067587);(215.851532,0.00156131);(215.861279,0.00063657);(215.877709,0.00006093);(217.514816,0.00001498);(217.813707,0.00004107);(219.317344,0.00003888);(220.878736,0.00010147);(221.890688,0.00003927);(224.987855,0.00286014);(225.05418,0.00030667);(226.987667,0.0001594);(229.871609,0.00003721);(230.983203,0.0001403);(231.065082,0.00820851);(231.822225,0.00003435);(233.317514,0.00004309);(234.388529,0.00003355);(235.695895,0.00004139);(238.141491,0.00002275);(239.033525,0.00038168);(240.232088,0.00176673);(241.049371,0.01046801);(241.062986,0.00004969);(241.235554,0.0000382);(242.052687,0.00659328);(243.054762,0.00037916);(244.176593,0.00004618);(252.852947,0.00008418);(253.049344,0.00310404);(254.054973,0.00017958);(254.247184,0.00002216);(255.065757,0.00017531);(257.044436,0.00362213);(258.048068,0.00015286);(263.240308,0.00003752);(264.653973,0.00001658);(264.775862,0.00003672);(266.531528,0.00003336);(269.044285,0.00117406);(269.080333,0.00051923);(269.266707,0.00018194);(270.051852,0.00464656);(270.075688,0.00919704);(270.315076,0.00089387);(271.03362,0.00048003);(271.059875,1.0);(271.273661,0.00001744);(272.063138,0.15254973);(272.09794,0.00003306);(272.258095,0.00210964);(273.065178,0.00914729);(273.166907,0.00005703);(274.913139,0.00002251)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.623914,0.00040901);(51.236974,0.00031862);(51.385709,0.00032202);(51.766894,0.00021366);(53.23537,0.00028705);(53.378516,0.00028493);(55.32349,0.00023801);(55.860089,0.00036988);(56.179467,0.0001996);(56.499808,0.00023976);(56.667762,0.00019175);(56.73675,0.00032159);(57.247009,0.00031664);(61.422165,0.00033291);(62.406666,0.00033673);(63.630843,0.0002054);(64.214916,0.00022381);(65.001925,0.03176803);(65.270703,0.00022501);(65.291901,0.00035536);(65.541118,0.00023553);(66.522601,0.00022598);(66.660631,0.00024891);(67.017549,0.00347054);(68.495866,0.00021559);(68.637491,0.0002246);(69.650312,0.00021907);(70.353003,0.0002423);(70.7463,0.00033496);(71.368575,0.00029964);(74.522207,0.00020829);(75.477305,0.00021203);(75.768671,0.00023611);(76.262481,0.00029147);(77.005082,0.00021608);(77.410924,0.00017584);(79.380876,0.00020385);(82.001455,0.00023847);(82.011989,0.00022518);(84.631386,0.00022624);(86.048059,0.00021566);(87.786151,0.00024735);(89.098278,0.00020922);(90.234702,0.0002263);(90.238466,0.00020637);(91.45448,0.00029376);(92.942994,0.00034796);(95.01251,0.00787323);(95.127337,0.00038826);(96.991848,0.00095719);(98.256471,0.00023694);(98.649798,0.00028787);(99.937513,0.00025184);(101.038509,0.0004822);(102.502659,0.00028876);(103.394819,0.00033133);(108.297468,0.00024305);(108.991936,0.00029049);(109.99958,0.00121837);(111.007524,0.0007149);(112.181479,0.00021968);(113.046348,0.00031769);(114.184646,0.00023337);(117.033347,0.00041636);(117.914753,0.00028245);(119.77738,0.00022828);(121.342998,0.00021516);(123.00751,0.01580834);(123.728569,0.00033303);(126.51483,0.00020095);(127.054074,0.00058913);(129.418063,0.0003154);(130.640693,0.00023619);(130.91074,0.0002484);(131.14487,0.00042704);(136.986945,0.07592663);(137.548401,0.00023654);(137.99027,0.00470439);(138.601747,0.00022925);(139.002586,0.02391229);(139.054283,0.00078125);(141.069885,0.02630132);(142.073431,0.00068313);(143.049188,0.01214885);(144.726049,0.00025684);(145.028442,0.00563502);(146.893788,0.00026021);(147.694045,0.00025519);(149.995037,0.00086131);(151.054314,0.00939055);(151.423435,0.00020139);(152.547825,0.00025459);(153.07013,0.00247954);(154.344178,0.00022967);(155.049263,0.00225199);(156.057043,0.0003005);(156.664623,0.0002894);(156.929339,0.0002449);(157.064879,0.00787559);(160.436087,0.0002223);(162.412615,0.00021404);(163.756432,0.00036912);(164.744355,0.00021815);(164.981998,0.00899822);(165.989717,0.00044906);(166.997709,0.02579395);(167.049291,0.01378265);(168.001155,0.00032256);(169.064984,0.0957959);(170.0683,0.01095931);(171.044213,0.02507475);(171.073035,0.00025484);(171.080639,0.01193888);(171.703091,0.00021709);(172.047398,0.00061124);(173.05989,0.00322128);(176.444705,0.00029922);(177.990055,0.00133378);(179.049349,0.00774215);(180.05688,0.00028603);(180.872638,0.00020313);(181.065079,0.00681912);(183.044316,0.0046743);(185.060072,0.01414644);(185.684223,0.00025618);(186.58146,0.0002411);(187.075478,0.0012733);(190.11959,0.00022099);(192.006039,0.0005205);(195.04447,0.0493865);(196.052125,0.00451943);(197.060191,0.08934419);(198.06369,0.01026912);(199.039302,0.00715158);(199.66841,0.00025555);(201.055358,0.00349162);(203.868495,0.00021664);(207.044644,0.01191024);(210.422779,0.00024807);(211.039406,0.00224218);(212.047692,0.00024333);(212.182332,0.00021725);(213.055105,0.03474488);(214.058488,0.00250443);(215.917127,0.00390338);(215.928675,0.00473534);(222.032119,0.00117415);(223.039687,0.11149131);(224.043385,0.01714172);(225.055419,0.03791435);(226.058603,0.00388029);(227.034283,0.00085954);(227.900732,0.00031293);(231.06261,0.00022461);(234.307521,0.00028394);(234.459974,0.00023217);(235.164413,0.00026083);(239.034813,0.0437611);(240.038517,0.01888411);(241.050575,0.12269482);(242.053948,0.01690759);(248.565793,0.00023555);(251.034947,0.09459711);(251.068768,0.00027283);(251.80573,0.00022493);(252.038434,0.01430719);(261.896375,0.00033205);(265.673453,0.00026089);(266.167026,0.00020722);(267.029725,0.0039594);(268.037022,0.01083326);(269.045649,1.0);(269.751518,0.00039825);(270.048928,0.16023721);(270.380311,0.00022081);(271.05125,0.00619644)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.024001,0.00108474);(50.194443,0.00120197);(50.333029,0.00147014);(50.398386,0.00105394);(50.97932,0.00097664);(51.401065,0.00113846);(52.318813,0.00117977);(52.463757,0.00091521);(52.869231,0.0009333);(53.850645,0.00140668);(55.398092,0.00177095);(56.89014,0.0013659);(57.441881,0.00168193);(57.523294,0.0010758);(57.840158,0.00118332);(58.32898,0.001391);(58.862589,0.00108198);(59.044225,0.00083171);(60.143113,0.00135647);(61.118921,0.00124407);(61.15636,0.00106216);(61.531515,0.00118873);(61.834462,0.00128573);(64.992212,0.0010591);(65.001922,1.0);(65.010517,0.00095787);(65.182812,0.000916);(66.005311,0.04915647);(67.01761,0.10660089);(67.06496,0.00114331);(67.219579,0.00115654);(68.996874,0.12335391);(70.556614,0.0012055);(71.489186,0.00155585);(71.737847,0.00108825);(72.604766,0.00114593);(72.759827,0.0009932);(72.924314,0.0015194);(73.232497,0.00106745);(73.78481,0.00113188);(76.237865,0.00109146);(77.001919,0.01991006);(77.294338,0.00104465);(77.633676,0.00104194);(78.487138,0.00109032);(78.50762,0.00125946);(79.017621,0.02282687);(79.85125,0.00117809);(80.635553,0.00144568);(84.137544,0.00116209);(84.866316,0.00097306);(87.225655,0.0010888);(88.308001,0.00099688);(89.587465,0.00100496);(89.839547,0.0011266);(89.906383,0.00163846);(91.547094,0.00120274);(92.996913,0.00929659);(94.408548,0.00096125);(95.012585,0.25037541);(95.434921,0.00096439);(96.015494,0.00130781);(96.991796,0.0594112);(97.571364,0.00142648);(98.954495,0.00134967);(99.007519,0.00124477);(101.03844,0.08810333);(101.063071,0.00106256);(101.432939,0.00143888);(102.041548,0.00251722);(102.256341,0.00116819);(102.605639,0.00099213);(104.012172,0.00107066);(105.190813,0.00113087);(106.703624,0.00103424);(108.118414,0.00142416);(108.199163,0.00113639);(108.991943,0.01637618);(109.99975,0.02819547);(110.732854,0.00109757);(111.007546,0.16002499);(112.384288,0.0016874);(113.704292,0.00103351);(114.36135,0.00116739);(115.054175,0.01598425);(115.50645,0.00113007);(116.363503,0.00101326);(117.033495,0.04217945);(118.323477,0.00108639);(119.049218,0.00135546);(120.992069,0.00122479);(122.072662,0.00108721);(123.007627,0.19334667);(124.986962,0.03999621);(127.05429,0.04440538);(128.748736,0.00098861);(128.978823,0.00094409);(129.033453,0.00174538);(129.069985,0.00195292);(129.107413,0.00106602);(130.020964,0.0012248);(130.482858,0.00119903);(131.048741,0.00116402);(132.543437,0.00095278);(135.066849,0.00138056);(135.354113,0.00107865);(136.636143,0.00181022);(136.986943,0.77161565);(136.992855,0.01633618);(137.391055,0.00109571);(137.990274,0.05591866);(139.002577,0.6462421);(139.054292,0.0706304);(140.006054,0.0253091);(140.048394,0.00111557);(140.057345,0.00118459);(140.936421,0.00160101);(141.033692,0.00154256);(141.069928,0.28949744);(142.073198,0.01627761);(143.04301,0.00112903);(143.049167,0.2001584);(144.052765,0.00800402);(145.028468,0.10727831);(145.064897,0.04255323);(149.994784,0.01285497);(151.054272,0.13721868);(152.057726,0.00351925);(152.2251,0.00106658);(152.73301,0.00133919);(153.070122,0.00455034);(154.858061,0.0010028);(155.049404,0.04267834);(157.064928,0.06137446);(159.702284,0.00098214);(164.981943,0.04420175);(165.610498,0.00166891);(165.989796,0.00277861);(166.997709,0.1594235);(167.049263,0.34984401);(168.001369,0.00167317);(168.052726,0.03747993);(169.06497,0.37900288);(170.068381,0.03827575);(171.044193,0.38556834);(171.080456,0.00186223);(172.047608,0.03195244);(173.059958,0.03186416);(177.990652,0.00134175);(179.049401,0.04780974);(180.056801,0.00408444);(181.064929,0.00439445);(182.036679,0.00134013);(183.044431,0.01146932);(184.052166,0.00290052);(185.060079,0.08858994);(191.389978,0.00155529);(192.00571,0.01026654);(195.044445,0.39734388);(196.048653,0.02908166);(196.118551,0.00112899);(197.060193,0.22672124);(197.345308,0.0013118);(198.063706,0.01978663);(199.039486,0.07819245);(199.28984,0.00116976);(201.054811,0.00145944);(207.044576,0.01867847);(207.25763,0.00128108);(209.567811,0.00115817);(211.039614,0.01305939);(212.047245,0.00111529);(212.190237,0.00172226);(212.235028,0.00150699);(213.055233,0.18664699);(214.058662,0.01434824);(219.789204,0.00165241);(219.804819,0.00984151);(222.032114,0.01979554);(223.039707,0.36949383);(224.045597,0.06024488);(225.055339,0.03174017);(239.034693,0.04387482);(240.021172,0.00153119);(240.042014,0.01958482);(241.050507,0.19998488);(242.053753,0.01868237);(245.500798,0.00128132);(251.035108,0.06529697);(252.041306,0.00496838);(261.700965,0.00130309);(262.236204,0.00118037);(268.037903,0.02143421);(269.045736,0.26648007);(269.781881,0.00128664);(270.049244,0.04273412);(271.102981,0.00110557)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.48796,0.00006038);(50.49465,0.0000348);(50.954498,0.00002924);(51.073762,0.00003862);(51.239391,0.00013219);(51.665167,0.00006098);(51.940041,0.00006433);(52.339183,0.00003323);(53.077112,0.00007233);(53.429482,0.00012772);(53.471018,0.00013339);(53.553636,0.00014946);(53.624634,0.00002573);(53.820235,0.00003921);(54.890357,0.00005461);(55.054874,0.00009089);(55.212293,0.00013526);(55.682866,0.00003213);(56.4211,0.00002667);(56.625956,0.00005899);(57.070563,0.00055894);(57.740092,0.0000608);(58.06583,0.00023729);(58.143463,0.00004283);(58.369913,0.00003629);(58.493206,0.00002756);(58.998964,0.00003865);(59.08129,0.0000605);(59.144734,0.00002971);(59.28811,0.0000581);(59.301391,0.0000318);(59.573911,0.00012051);(59.577908,0.00002931);(60.010114,0.00014316);(60.237392,0.00006555);(60.335136,0.00002974);(60.563724,0.00007304);(60.717622,0.00009061);(60.944355,0.00005757);(61.011354,0.10031909);(61.8949,0.00002966);(61.995852,0.00004294);(62.010686,0.00034861);(62.014702,0.000922);(62.019121,0.0001786);(63.007113,0.00258982);(63.137945,0.00006526);(63.31932,0.00014584);(63.363816,0.00008611);(63.662931,0.00006011);(63.955806,0.0000734);(64.128548,0.0000628);(64.707388,0.00002536);(65.417192,0.00004433);(65.528663,0.00005142);(66.1373,0.00006176);(66.600364,0.00003143);(67.018497,0.00251141);(67.054707,0.00003416);(67.639128,0.00007863);(67.796633,0.00005769);(67.890197,0.00003345);(68.100029,0.00003995);(68.288382,0.00006682);(68.290514,0.00006625);(68.4007,0.00014222);(68.80741,0.00003553);(68.848727,0.00004);(68.936845,0.00005169);(68.99772,0.00112016);(69.070388,0.00014322);(69.251579,0.0000592);(69.432128,0.00008321);(69.589218,0.00006351);(70.041112,0.00018001);(70.576147,0.00003692);(70.626193,0.00013502);(70.763548,0.00003591);(70.958445,0.00209847);(71.086295,0.00003267);(71.487371,0.00007285);(73.11521,0.00003055);(73.436447,0.00003179);(74.136975,0.00005145);(74.48734,0.00005567);(75.143324,0.00002841);(76.503454,0.00002984);(76.653861,0.00012671);(76.765157,0.00008315);(76.939075,0.00006097);(76.97042,0.00006657);(77.217315,0.00003737);(77.354058,0.00003103);(78.221262,0.00006695);(78.297995,0.00007391);(78.531783,0.00008709);(78.683124,0.0000542);(78.872404,0.00007717);(79.080852,0.00007046);(79.31496,0.00006369);(80.309098,0.00006137);(81.070381,0.00048059);(81.090275,0.00014547);(82.352806,0.00005482);(83.565775,0.00006366);(83.820348,0.00007033);(84.062684,0.00013619);(84.566389,0.00014505);(84.581151,0.00005107);(85.645157,0.00006408);(86.246373,0.00006744);(87.662834,0.0000502);(88.968917,0.00017783);(89.393888,0.00014955);(89.660594,0.00006461);(90.998917,0.00006316);(91.255048,0.00003042);(91.967084,0.00003503);(92.115587,0.00013715);(92.153111,0.00003776);(92.997678,0.0002423);(94.92432,0.00003309);(95.031296,0.00003883);(95.085945,0.00040751);(95.526691,0.0001261);(95.534295,0.0000634);(95.733421,0.00005767);(96.710672,0.0000405);(97.067976,0.00006194);(97.418513,0.00009448);(97.453806,0.00005141);(97.528154,0.00002852);(97.617678,0.00013789);(98.466781,0.00006168);(99.3678,0.00006596);(101.183309,0.00004491);(101.324404,0.00005426);(101.556304,0.00006374);(101.866204,0.00014189);(102.267847,0.00006334);(102.736299,0.00003085);(103.05455,0.00998903);(103.458254,0.00008517);(103.576065,0.00005933);(103.669085,0.00007105);(103.720089,0.00003008);(104.057826,0.00021671);(104.070911,0.00017817);(104.275167,0.00013602);(104.930646,0.0001946);(105.033813,0.00557293);(105.917383,0.00004772);(106.353789,0.00006082);(106.560259,0.0000292);(106.737322,0.00005647);(107.085751,0.00007196);(108.594416,0.00005954);(109.101318,0.00004333);(110.74676,0.00002932);(111.008111,0.00006972);(111.385118,0.00007146);(111.556594,0.00004243);(111.650001,0.00005389);(112.018181,0.00006031);(112.434482,0.00004024);(112.779467,0.00004157);(112.892928,0.00007199);(113.676817,0.00002646);(113.689182,0.00002932);(114.737096,0.00003362);(114.948238,0.000189);(115.973099,0.00007148);(117.080389,0.00003311);(117.519903,0.00014767);(117.917215,0.00017788);(117.939271,0.0001603);(119.619764,0.00002999);(119.624587,0.00003352);(119.707911,0.00008967);(119.88844,0.00007156);(120.680562,0.00003267);(120.940608,0.00102089);(120.998371,0.00008168);(121.101506,0.00007508);(121.53273,0.00005961);(122.635416,0.00008777);(122.797701,0.0000315);(122.860918,0.00009483);(122.941056,0.00363968);(123.007775,0.02369758);(124.011078,0.00018151);(124.461182,0.00003554);(124.5366,0.00004628);(126.716267,0.00003469);(128.660368,0.00013573);(129.033561,0.00084435);(129.343931,0.00008565);(130.807235,0.00006755);(131.054316,0.00006371);(131.292536,0.00009496);(131.961304,0.00164948);(131.974229,0.00006785);(132.337198,0.00007782);(132.77871,0.00003165);(132.94053,0.00022371);(132.958186,0.00541071);(133.101366,0.00014508);(133.694108,0.00010899);(133.948474,0.00076648);(134.120593,0.00006377);(134.92396,0.00003578);(134.95599,0.00017695);(135.927384,0.00021658);(136.868307,0.00003061);(136.95652,0.00074845);(138.951612,0.00016126);(139.002523,0.0039029);(139.184235,0.00007777);(140.00578,0.00053699);(140.442065,0.0000715);(141.018126,0.00147871);(141.059741,0.00002968);(141.06929,0.00007497);(141.334573,0.00003419);(147.043936,0.004368);(147.152931,0.00006663);(147.473514,0.00007997);(147.974781,0.0044218);(148.201346,0.0000689);(148.483451,0.00015716);(148.971726,0.09582155);(149.96054,0.00015503);(149.972083,0.00244612);(150.489538,0.00006816);(150.951086,0.00194106);(150.968097,0.00356966);(150.972957,0.00101327);(151.002503,0.00018572);(151.465561,0.00002922);(152.951416,0.00993552);(152.967641,0.00018425);(153.017995,0.00051193);(153.341461,0.00006905);(153.959191,0.00677287);(157.013425,0.00009003);(157.711492,0.00013208);(162.950727,0.00111237);(162.974909,0.00003313);(164.777503,0.00007309);(164.927345,0.0000743);(164.951306,0.00124548);(165.139127,0.00007201);(165.938301,0.00015473);(166.014316,0.00006707);(166.357242,0.00003588);(166.967115,0.00002846);(166.982247,0.01617755);(167.309237,0.0001372);(167.686463,0.00003248);(167.985646,0.00019941);(168.005301,0.00018127);(168.445591,0.00008292);(168.595831,0.00008044);(168.823394,0.00006706);(168.982833,0.00459247);(169.013035,0.01214444);(169.102702,0.00009446);(169.211288,0.00015396);(169.911517,0.00007925);(170.01646,0.00011601);(170.274917,0.0000729);(170.451384,0.00008234);(170.961972,0.00179696);(171.043576,0.00017651);(172.214499,0.00006878);(173.102666,0.00004054);(176.941225,0.00022831);(177.161747,0.00017529);(177.938064,0.00634987);(178.832968,0.00003134);(179.02328,0.00003808);(180.961353,0.00234463);(180.997883,0.00047085);(182.961986,0.00218107);(185.411277,0.00006204);(185.948733,0.00196167);(186.086914,0.00007975);(189.120634,0.00019898);(189.803868,0.00004112);(190.795301,0.00007146);(191.964535,0.0044426);(192.006364,0.00006975);(192.961497,0.05817824);(193.307766,0.0000335);(193.525242,0.00013981);(193.964012,0.00236761);(194.952526,0.00022528);(194.962165,0.00427707);(195.258825,0.00003574);(195.948592,0.00516435);(196.018938,0.00004108);(197.059802,0.00027346);(197.948491,0.00018586);(198.072556,0.00002969);(198.957629,0.00003317);(200.97242,0.00007971);(201.056766,0.00005763);(202.259529,0.00003226);(202.457439,0.00006927);(202.934219,0.00005463);(203.539315,0.00002798);(205.169449,0.00008647);(209.97519,0.00238742);(210.960479,0.00037493);(210.972023,0.02977933);(211.97439,0.00056905);(212.972631,0.00749921);(213.054475,0.00051952);(213.225186,0.0000621);(214.803385,0.00007763);(214.827121,0.00006687);(215.189818,0.00016226);(215.843997,0.00179596);(215.856602,0.00128647);(215.864516,0.0005165);(215.96091,0.00008113);(217.951257,0.00005977);(221.452078,0.00017728);(222.401058,0.0000281);(224.98752,0.00023087);(225.05445,0.01029888);(225.283578,0.00003644);(226.058147,0.00050075);(229.049704,0.00080632);(231.065048,0.00321319);(231.56289,0.00008243);(231.704361,0.00006695);(234.056324,0.00003643);(235.478949,0.00009112);(236.604601,0.00003687);(238.586833,0.00016525);(239.599003,0.0000575);(240.23201,0.00098201);(241.049411,0.0085523);(242.052738,0.00605754);(242.555193,0.00014717);(243.055641,0.00007724);(243.365813,0.00003848);(245.668226,0.00007197);(247.524028,0.00003419);(253.049411,0.03564049);(254.053169,0.00508798);(255.060712,0.00003093);(257.044397,0.00076722);(257.184043,0.00003538);(269.081668,0.00004459);(270.051769,0.00367198);(270.075603,0.00782264);(270.315002,0.0001049);(271.033701,0.00016103);(271.059916,1.0);(272.063117,0.15357686);(272.25735,0.00005624);(272.281589,0.00003364);(273.065376,0.00893465);(273.382194,0.00006886);(275.351471,0.000083);(275.535962,0.00003444)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.193611,0.00007833);(50.572444,0.00018927);(50.763188,0.00043245);(50.865466,0.00019929);(50.936467,0.00022298);(50.94675,0.0004509);(51.012722,0.0000899);(51.023815,0.00018382);(51.098857,0.00019598);(51.18801,0.00007812);(51.904101,0.00017566);(52.58473,0.00014573);(52.633259,0.00046366);(52.818888,0.0000906);(52.939727,0.00018835);(53.002952,0.00060583);(53.039363,0.00479587);(53.133603,0.00024912);(53.371263,0.00014091);(53.494275,0.0005324);(54.052604,0.00021139);(54.094583,0.00020531);(54.23447,0.00008858);(54.478934,0.00043553);(54.629537,0.00010187);(54.751486,0.0000954);(54.811407,0.00017964);(54.938131,0.00053848);(54.983462,0.00020985);(55.01861,0.01197061);(55.054988,0.00099796);(55.736956,0.00016148);(55.759941,0.00043944);(55.935131,0.01239385);(55.955381,0.00018758);(56.050175,0.00009715);(56.764384,0.00021687);(56.78053,0.00018122);(56.94296,0.00177157);(57.025463,0.00018324);(57.034255,0.00017092);(57.070619,0.00211607);(57.146417,0.00045022);(57.191386,0.00024216);(57.310486,0.00021568);(57.441834,0.00008166);(57.935578,0.00649731);(58.065854,0.00092949);(58.377148,0.00015209);(59.053016,0.00021766);(59.60338,0.00009566);(59.801674,0.00040735);(59.936994,0.00023092);(60.329726,0.00047669);(60.569578,0.00165147);(60.570618,0.00159194);(60.573286,0.00009449);(60.686939,0.00040243);(60.998313,0.00012672);(61.011367,0.24386442);(61.129181,0.00023068);(61.801153,0.00040313);(61.949758,0.00024537);(62.014691,0.00181151);(62.019135,0.00943643);(62.443206,0.00009733);(63.007102,0.00558562);(63.026975,0.01097282);(63.350536,0.00007612);(63.846882,0.00015422);(64.109927,0.0004579);(64.137708,0.00009734);(64.154285,0.00043217);(64.291276,0.00021839);(64.527241,0.00019029);(64.770608,0.00009072);(66.486345,0.00008328);(66.912308,0.00017414);(67.018521,0.01898392);(67.05497,0.00099803);(67.065232,0.00019712);(67.108002,0.00008484);(67.581858,0.00013714);(67.644916,0.00024556);(68.075213,0.00044114);(68.391188,0.00015909);(68.447142,0.00008955);(68.480933,0.00008539);(68.997776,0.06367002);(69.070861,0.00025067);(69.216758,0.00018099);(69.96168,0.00497856);(70.001163,0.00103002);(70.282661,0.00040985);(70.453199,0.00013327);(70.811387,0.00021984);(70.958514,0.12294905);(71.013517,0.00083937);(71.796118,0.0002188);(71.929957,0.00528789);(71.958978,0.00152584);(72.411457,0.0000982);(72.429234,0.00008421);(72.765194,0.0002274);(72.937764,0.04050077);(73.874125,0.00009181);(74.484529,0.00023608);(74.838525,0.00008806);(74.89526,0.00022983);(74.953413,0.00081613);(75.255515,0.00010407);(75.633369,0.00010548);(75.946007,0.0052828);(76.182305,0.00010032);(76.920495,0.00019738);(77.039344,0.00067831);(77.108013,0.00009112);(77.448381,0.00025447);(77.628121,0.00021316);(78.250938,0.00010451);(78.518509,0.00008462);(78.889978,0.00008548);(78.93336,0.00051623);(79.018474,0.00022849);(79.094672,0.00045675);(79.455642,0.00021181);(79.993535,0.00022455);(81.070394,0.0009881);(81.59179,0.00017991);(81.679333,0.00021108);(82.230963,0.00021868);(83.013399,0.00124848);(83.817318,0.00043553);(84.297671,0.00043951);(85.028984,0.00142009);(85.385449,0.00020197);(85.692918,0.00019095);(86.2463,0.00011688);(86.300412,0.00040294);(86.953257,0.00216321);(87.653572,0.00019564);(87.90692,0.00333135);(88.159005,0.00019732);(88.480246,0.0004458);(88.542965,0.00052738);(88.914783,0.00228153);(88.968934,0.01817389);(89.940388,0.00868481);(90.948169,0.02525367);(91.054785,0.00297364);(91.610801,0.00020275);(92.468981,0.00055133);(92.472175,0.00048919);(92.997482,0.00210399);(93.029773,0.00023443);(93.559405,0.00008174);(93.956562,0.00058453);(94.480731,0.00008575);(94.643919,0.00023375);(94.999957,0.00018593);(95.013198,0.15329858);(95.049598,0.00944937);(95.086121,0.00031689);(95.418469,0.00009496);(95.535671,0.00046959);(95.606937,0.00015429);(96.016587,0.00397015);(96.955191,0.00018698);(97.565961,0.00009942);(97.581898,0.00018539);(97.590072,0.00013499);(98.464764,0.0004579);(102.012238,0.00009961);(102.68669,0.00019196);(102.739612,0.00049435);(102.91498,0.00069326);(102.930223,0.00319764);(102.948095,0.00382896);(103.054601,0.27494847);(103.596432,0.00017);(104.057922,0.01945897);(104.175923,0.00010279);(104.288074,0.00023539);(104.51246,0.00023939);(104.591065,0.00017414);(104.93071,0.00299523);(104.963708,0.0063035);(105.033848,0.11159022);(105.36925,0.00021738);(105.917361,0.01044992);(106.028818,0.00019359);(106.037195,0.00389481);(106.19608,0.00010412);(106.67363,0.00019608);(106.925275,0.00056408);(107.012899,0.00039264);(107.118002,0.00027937);(107.950747,0.00315531);(110.098693,0.00009798);(110.182354,0.00024927);(111.008005,0.00078591);(111.667691,0.00012455);(112.75459,0.0002795);(113.023574,0.00136255);(113.560891,0.00051851);(114.413138,0.00016363);(114.948061,0.00138986);(115.054521,0.01605738);(116.057734,0.00020541);(116.451996,0.00021106);(117.256532,0.00021168);(117.50832,0.0002404);(117.917188,0.00653028);(118.539508,0.0001862);(118.925064,0.00806299);(119.049295,0.01512438);(120.940689,0.02037787);(121.02857,0.00145599);(121.748135,0.0005355);(122.023992,0.00036975);(122.084714,0.00013654);(122.219124,0.0000927);(122.941055,0.01666831);(123.007821,1.0);(123.7582,0.00046034);(123.796686,0.00021649);(123.927729,0.00064761);(124.011146,0.05787981);(126.351434,0.00018214);(126.580637,0.00009903);(127.054064,0.00016959);(127.095302,0.0001019);(128.062155,0.00019342);(128.144202,0.00016413);(128.573592,0.00022693);(128.715872,0.00024822);(128.736555,0.00044314);(128.863246,0.00011239);(129.033621,0.03299448);(129.069913,0.00303654);(130.036998,0.00011514);(130.720526,0.00009418);(130.963331,0.00051069);(131.049241,0.00216933);(131.961347,0.02302712);(132.512964,0.00019795);(132.958272,0.11817934);(133.711013,0.0001645);(133.948279,0.02198688);(133.958058,0.00059747);(134.322695,0.00010565);(134.919901,0.00157492);(134.955967,0.01128916);(135.858559,0.00020154);(135.927599,0.00912687);(135.948805,0.0010713);(135.966364,0.00157784);(136.935374,0.00190181);(136.970614,0.0004816);(137.177545,0.00042782);(137.927945,0.00917802);(138.951155,0.00705415);(139.00261,0.01535277);(140.00585,0.00178984);(140.034061,0.0002949);(141.018169,0.11219133);(141.06983,0.04377054);(142.021609,0.00344109);(142.073403,0.00132937);(143.311747,0.00012079);(145.028545,0.00098024);(145.065236,0.00027593);(146.55112,0.00021273);(146.974208,0.00276653);(147.043939,0.00654487);(147.927261,0.0011094);(147.974881,0.00744022);(148.538637,0.00025055);(148.971775,0.2864982);(149.783231,0.0000896);(149.960987,0.01641309);(149.971577,0.01869009);(150.09673,0.00019077);(150.951089,0.01214102);(150.968639,0.09524375);(151.002564,0.03181919);(151.054187,0.00350342);(151.222349,0.00017366);(151.614071,0.00008651);(151.958854,0.01319483);(152.005753,0.0001548);(152.951462,0.01990446);(152.967544,0.00993336);(153.011918,0.00051675);(153.018153,0.03241484);(153.033371,0.00467599);(153.087004,0.0002329);(153.767562,0.00048547);(153.775554,0.00020907);(153.938217,0.00256101);(153.959232,0.07532707);(154.021507,0.00038918);(154.9381,0.00047257);(155.022169,0.00009905);(155.03376,0.00105379);(155.049094,0.00828396);(157.06465,0.00100146);(158.066943,0.00011151);(158.541206,0.00022153);(161.939995,0.00008091);(162.165071,0.00046863);(164.984501,0.00092819);(165.938148,0.01207478);(166.982287,0.0512409);(167.971457,0.00525283);(167.984943,0.00045461);(168.005548,0.00061042);(168.924992,0.0007649);(168.961473,0.0008278);(168.980039,0.00042385);(169.013075,0.20178322);(169.064807,0.01756146);(169.114328,0.00020017);(170.016509,0.01200926);(170.068465,0.00010555);(170.962115,0.00273081);(170.979848,0.00052715);(171.028813,0.00039912);(171.043617,0.00054984);(176.941235,0.00121968);(177.006291,0.00048672);(177.510161,0.00048795);(177.692001,0.00022763);(177.938105,0.02938599);(178.94103,0.00046236);(179.049128,0.02232776);(179.287177,0.00046241);(180.052704,0.00013236);(180.997541,0.00235243);(181.063597,0.00043565);(182.652939,0.00021539);(183.043918,0.00114705);(183.948593,0.00132159);(184.104728,0.00027368);(185.949142,0.01706542);(185.957243,0.00058194);(186.935815,0.00085134);(186.961054,0.00021765);(187.023153,0.00100803);(187.929707,0.00020481);(190.820095,0.00021146);(191.964129,0.00057742);(192.96153,0.01266998);(194.315773,0.00015747);(194.951968,0.0024642);(194.961881,0.00010631);(195.451914,0.00028504);(195.948734,0.02883613);(197.059699,0.03054333);(198.062925,0.00060696);(198.314464,0.00041397);(198.500434,0.00023011);(200.020255,0.0001556);(204.528759,0.00020835);(204.920212,0.00025404);(205.83357,0.00021603);(207.044007,0.0183899);(210.807087,0.00019438);(210.972205,0.00508406);(211.002043,0.00016421);(211.038981,0.00132011);(215.070597,0.00052226);(215.585567,0.00013012);(217.831848,0.00011562);(217.851135,0.00022859);(218.621794,0.00049921);(218.737725,0.0002321);(219.772425,0.00253872);(219.785043,0.00107033);(219.798051,0.00030427);(219.850495,0.00026828);(220.895298,0.00014783);(225.054453,0.07492989);(226.058128,0.00768717);(227.39742,0.00016333);(228.216663,0.00023271);(229.049442,0.0483143);(229.217744,0.00044371);(230.052409,0.00321022);(230.913362,0.00008868);(231.930569,0.00024345);(234.82134,0.00023684);(238.467795,0.00016533);(241.049161,0.00044652);(242.056341,0.00078574);(243.064834,0.00086213);(243.685375,0.00046722);(245.721689,0.00023709);(246.656268,0.00056328);(248.091246,0.00025203);(251.997671,0.00013235);(253.04941,0.17380693);(254.052884,0.02665665);(255.05965,0.00024146);(256.12937,0.00024255);(257.060366,0.00019974);(260.617435,0.00051283);(266.067236,0.00009965);(270.052156,0.00958248);(270.076146,0.00109899);(271.059941,0.80377173);(272.063097,0.12606585);(273.065358,0.00612306)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(55.015,0.021);(63.024,0.018);(67.017,0.019);(68.997,0.287);(69.019,0.018);(70.001,0.022);(71.009,0.018);(71.014,0.02);(72.24,0.02);(75.024,0.058);(76.664,0.023);(77.003,0.021);(77.037,0.256);(78.037,0.018);(79.019,0.048);(85.023,0.018);(94.994,0.018);(95.013,1.0);(96.012,0.052);(96.019,0.054);(99.023,0.045);(101.038,0.081);(103.043,0.028);(103.054,0.162);(112.016,0.028);(113.028,0.025);(113.786,0.019);(115.049,0.094);(115.058,0.073);(116.055,0.05);(122.996,0.08);(123.008,0.903);(124.012,0.047);(125.04,0.018);(126.039,0.04);(126.048,0.06);(127.003,0.023);(127.052,0.132);(128.056,0.027);(128.061,0.067);(129.027,0.04);(129.036,0.12);(130.041,0.02);(131.051,0.025);(139.007,0.055);(139.057,0.096);(140.005,0.019);(141.071,0.056);(141.078,0.023);(149.041,0.019);(150.005,0.032);(150.042,0.184);(150.052,0.16);(150.073,0.02);(151.039,0.017);(151.054,0.287);(152.032,0.02);(152.054,0.021);(152.062,0.027);(153.025,0.033);(153.032,0.092);(153.038,0.098);(153.058,0.02);(154.034,0.047);(154.044,0.049);(155.026,0.027);(155.032,0.022);(156.035,0.018);(168.01,0.052);(169.012,0.129);(169.064,0.022);(176.689,0.019);(179.051,0.037);(183.035,0.017);(197.065,0.028);(211.022,0.017);(211.035,0.022)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(103.054,0.016);(123.007,0.094);(225.058,0.011);(242.051,0.011);(253.05,0.03);(269.044,0.013);(270.054,0.012);(271.06,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(269.043,0.026);(270.05,0.051);(271.06,1.0);(271.107,0.012)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(55.018,0.013);(68.791,0.013);(68.993,0.071);(68.999,0.223);(69.998,0.013);(70.001,0.02);(71.015,0.014);(77.038,0.128);(84.991,0.014);(87.021,0.031);(94.986,0.014);(94.992,0.012);(95.013,0.867);(95.238,0.013);(96.015,0.044);(99.024,0.043);(101.038,0.016);(102.045,0.019);(103.055,0.134);(104.059,0.017);(105.031,0.044);(113.025,0.013);(115.046,0.02);(115.054,0.158);(122.971,0.013);(123.007,1.0);(123.858,0.012);(124.009,0.014);(124.017,0.014);(125.009,0.034);(125.03,0.032);(125.039,0.075);(127.055,0.042);(127.378,0.012);(129.014,0.015);(129.034,0.046);(130.035,0.014);(131.046,0.025);(139.056,0.114);(141.065,0.03);(141.148,0.012);(144.267,0.014);(149.894,0.013);(150.046,0.283);(150.998,0.029);(151.041,0.058);(151.052,0.309);(151.062,0.051);(152.009,0.014);(152.056,0.065);(152.065,0.031);(152.07,0.012);(153.035,0.105);(153.064,0.013);(153.113,0.013);(159.369,0.013);(168.001,0.021);(169.007,0.012);(169.021,0.014);(170.006,0.02);(179.04,0.019);(179.051,0.018);(179.059,0.011);(180.057,0.017);(201.369,0.015);(269.041,0.039);(271.053,0.041);(271.063,0.018)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(95.015,0.01);(103.055,0.017);(123.007,0.102);(139.002,0.01);(169.012,0.015);(169.018,0.011);(241.051,0.011);(242.055,0.012);(253.054,0.035);(269.043,0.019);(270.051,0.014);(271.061,1.0);(271.108,0.016)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(68.984,0.164);(68.997,0.155);(69.001,0.255);(77.032,0.182);(77.038,0.264);(95.008,0.236);(95.014,0.509);(101.046,0.164);(102.057,0.264);(103.059,0.255);(115.048,0.182);(123.006,1.0);(123.01,0.564);(125.036,0.255);(141.07,0.227);(150.045,0.609);(150.096,0.164);(151.005,0.155)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(64.407,0.026);(65.004,0.192);(67.005,0.022);(68.997,0.079);(77.003,0.023);(78.502,0.017);(79.014,0.019);(79.02,0.019);(80.996,0.026);(81.001,0.017);(94.002,0.021);(94.007,0.025);(95.012,0.121);(96.017,0.027);(96.992,0.038);(99.006,0.02);(101.039,0.085);(108.024,0.041);(108.989,0.075);(110.983,0.019);(111.008,0.206);(115.059,0.019);(120.995,0.019);(121.028,0.017);(121.998,0.044);(123.009,0.156);(124.011,0.018);(124.987,0.042);(125.037,0.025);(127.049,0.018);(127.061,0.024);(129.039,0.05);(129.069,0.044);(131.052,0.018);(136.988,1.0);(137.995,0.019);(139.002,0.568);(139.01,0.095);(139.051,0.048);(140.009,0.04);(140.044,0.023);(141.067,0.253);(142.072,0.036);(142.314,0.018);(143.05,0.162);(143.078,0.019);(144.05,0.047);(144.055,0.03);(145.027,0.088);(146.029,0.017);(148.015,0.026);(148.075,0.022);(149.995,0.023);(151.054,0.108);(153.068,0.037);(155.049,0.049);(156.056,0.019);(157.059,0.041);(157.066,0.018);(158.063,0.017);(164.975,0.052);(164.986,0.02);(165.989,0.032);(165.996,0.027);(166.995,0.023);(167.009,0.017);(167.05,0.47);(167.062,0.019);(168.002,0.017);(168.051,0.035);(169.063,0.158);(169.077,0.019);(170.072,0.055);(170.998,0.017);(171.044,0.343);(172.037,0.021);(173.067,0.018);(179.045,0.143);(179.062,0.018);(179.071,0.025);(180.049,0.024);(181.071,0.027);(182.072,0.019);(183.03,0.019);(183.042,0.046);(184.051,0.019);(185.056,0.059);(185.062,0.064);(192.004,0.05);(194.037,0.019);(195.043,0.477);(195.066,0.036);(196.041,0.021);(196.052,0.072);(197.056,0.019);(198.045,0.018);(199.035,0.082);(199.045,0.021);(199.067,0.019);(200.037,0.02);(200.054,0.019);(207.04,0.085);(208.054,0.044);(213.05,0.079);(213.063,0.017);(214.059,0.017);(215.06,0.019);(222.033,0.029);(223.039,0.476);(224.041,0.036);(225.052,0.065);(226.023,0.017);(239.027,0.02);(239.044,0.023);(240.022,0.019);(240.038,0.091);(241.046,0.13);(241.063,0.019);(242.039,0.019);(251.042,0.059);(251.05,0.019);(253.026,0.017);(268.027,0.024);(268.042,0.017);(269.035,0.071);(269.048,0.224)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(65.003,1.0);(67.005,0.118);(80.996,0.108);(82.008,0.103);(95.013,0.365);(101.039,0.345);(108.016,0.089);(111.009,0.232);(115.047,0.099);(115.054,0.089);(122.004,0.099);(124.984,0.089);(129.034,0.128);(136.985,0.414);(139.056,0.236);(143.049,0.089);(168.055,0.089);(171.039,0.108);(190.998,0.099);(211.06,0.094)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(65.002,0.451);(66.002,0.017);(66.966,0.022);(67.017,0.1);(68.995,0.024);(69.001,0.022);(77.002,0.035);(77.007,0.023);(78.01,0.021);(79.017,0.017);(80.996,0.021);(83.014,0.017);(91.022,0.019);(92.995,0.02);(93.999,0.025);(95.012,0.258);(96.017,0.042);(96.994,0.041);(101.036,0.09);(102.042,0.017);(103.053,0.017);(108.99,0.062);(109.0,0.041);(110.001,0.035);(111.008,0.172);(112.012,0.041);(115.055,0.018);(117.035,0.091);(120.989,0.023);(121.996,0.063);(123.005,0.212);(124.989,0.018);(125.994,0.018);(127.05,0.052);(127.056,0.018);(129.068,0.042);(131.045,0.041);(136.957,0.021);(136.986,1.0);(137.122,0.024);(137.991,0.083);(139.002,0.747);(139.05,0.088);(139.057,0.043);(140.007,0.021);(140.055,0.036);(141.07,0.218);(142.075,0.034);(143.042,0.097);(143.049,0.374);(144.05,0.076);(145.025,0.054);(149.99,0.019);(151.0,0.028);(151.041,0.017);(151.052,0.151);(152.062,0.018);(153.067,0.091);(154.035,0.069);(155.051,0.077);(157.055,0.022);(157.066,0.044);(164.977,0.036);(164.985,0.018);(164.994,0.022);(165.593,0.018);(165.984,0.019);(165.992,0.025);(166.891,0.019);(166.996,0.126);(167.004,0.034);(167.05,0.575);(168.049,0.018);(168.058,0.075);(169.001,0.018);(169.024,0.022);(169.06,0.1);(169.067,0.332);(170.064,0.035);(170.073,0.018);(171.042,0.679);(172.042,0.019);(172.049,0.036);(172.058,0.021);(172.969,0.026);(178.924,0.018);(179.046,0.133);(179.06,0.022);(180.06,0.018);(183.048,0.041);(184.053,0.017);(185.054,0.018);(185.063,0.034);(186.056,0.03);(186.064,0.015);(189.121,0.017);(193.01,0.025);(195.034,0.171);(195.046,0.517);(196.036,0.016);(196.051,0.159);(196.196,0.017);(197.058,0.126);(197.073,0.022);(198.064,0.075);(199.034,0.083);(199.041,0.04);(202.057,0.018);(207.035,0.03);(207.048,0.017);(208.053,0.018);(211.038,0.019);(211.05,0.036);(212.053,0.039);(213.05,0.123);(213.064,0.023);(214.057,0.025);(223.041,0.525);(224.044,0.163);(224.053,0.043);(225.046,0.021);(226.023,0.017);(226.059,0.019);(239.036,0.017);(240.039,0.101);(241.048,0.118);(241.057,0.079);(242.061,0.044);(251.033,0.065);(252.038,0.04);(267.015,0.022);(267.034,0.02);(268.019,0.024);(268.036,0.036);(269.041,0.118);(269.052,0.109)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(65.003,1.0);(139.051,0.667);(145.025,0.412);(163.006,0.392);(181.61,0.471)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(267.03,0.038);(268.033,0.051);(269.045,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(65.001,0.165);(69.429,0.05);(79.015,0.065);(95.018,0.068);(96.016,0.052);(101.03,0.052);(108.993,0.055);(111.008,0.047);(122.002,0.047);(123.002,0.063);(123.011,0.063);(127.054,0.144);(136.985,1.0);(136.996,0.063);(139.003,0.908);(140.002,0.05);(141.001,0.065);(141.069,0.165);(143.054,0.047);(145.023,0.217);(151.054,0.065);(152.057,0.052);(154.031,0.047);(155.047,0.217);(164.976,0.047);(166.042,0.047);(167.0,0.285);(167.049,0.317);(168.052,0.055);(169.059,0.11);(169.065,0.076);(171.047,0.304);(179.046,0.175);(185.054,0.05);(186.056,0.073);(194.031,0.052);(195.041,0.584);(196.048,0.12);(197.023,0.052);(198.071,0.058);(199.037,0.065);(199.046,0.11);(212.746,0.047);(213.049,0.058);(213.063,0.058);(223.041,0.442);(239.023,0.052);(241.046,0.149);(269.042,0.157)
LC-MS/MS	LC-ESI-TOF	Negative	high	View Spectrum	(136.995,0.032);(153.07,0.032);(169.068,0.082);(195.04,0.063);(197.058,0.072);(223.04,0.193);(224.044,0.072);(225.052,0.072);(241.053,0.442);(251.035,1.0);(251.489,0.037);(252.039,0.152)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(64.999,0.011);(65.003,0.013);(95.01,0.011);(136.983,0.016);(136.988,0.028);(139.004,0.014);(141.07,0.017);(151.056,0.012);(155.048,0.014);(167.0,0.012);(167.047,0.013);(169.063,0.071);(171.04,0.022);(179.044,0.023);(179.055,0.015);(185.059,0.014);(195.04,0.059);(196.049,0.011);(197.061,0.055);(199.039,0.011);(207.041,0.015);(213.051,0.016);(223.037,0.1);(225.055,0.032);(240.039,0.011);(241.049,0.084);(251.034,0.071);(269.045,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(139.0,0.021);(168.993,0.031);(199.004,0.017);(270.989,0.206);(271.059,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(90.979,0.012);(120.99,0.06);(123.006,0.042);(139.001,0.095);(168.995,0.076);(199.001,0.013);(253.047,0.034);(270.986,0.015);(271.06,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(55.018,0.015);(55.021,0.018);(60.986,0.017);(60.989,0.016);(61.009,0.034);(61.012,0.018);(68.997,0.064);(77.038,0.066);(78.996,0.011);(79.018,0.011);(83.011,0.011);(90.98,0.226);(91.048,0.011);(95.013,0.32);(103.054,0.219);(104.995,0.053);(105.033,0.087);(105.966,0.05);(115.056,0.036);(120.983,0.016);(120.99,0.103);(123.008,1.0);(123.096,0.015);(123.105,0.016);(123.978,0.014);(127.053,0.02);(129.031,0.036);(138.999,0.015);(141.069,0.05);(150.043,0.012);(150.999,0.026);(151.054,0.056);(153.031,0.014);(153.04,0.015);(155.047,0.013);(167.027,0.012);(169.012,0.104);(169.05,0.01);(169.067,0.01);(179.048,0.048);(197.057,0.019);(211.035,0.039);(225.05,0.01);(253.048,0.044);(271.059,0.125)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(51.016,0.019);(51.02,0.042);(51.023,0.048);(51.029,0.061);(51.034,0.016);(51.051,0.014);(55.012,0.026);(55.019,0.021);(56.005,0.014);(58.214,0.015);(63.021,0.021);(65.002,0.754);(65.006,1.0);(65.023,0.026);(65.027,0.032);(65.031,0.036);(65.035,0.034);(65.041,0.05);(65.051,0.016);(65.057,0.057);(65.065,0.032);(65.071,0.045);(65.082,0.023);(65.099,0.035);(65.115,0.016);(65.124,0.014);(65.145,0.019);(65.171,0.015);(65.184,0.015);(65.208,0.014);(65.228,0.026);(65.252,0.025);(66.002,0.022);(66.005,0.04);(66.01,0.018);(66.984,0.015);(67.014,0.113);(67.019,0.142);(67.024,0.015);(67.027,0.03);(67.032,0.024);(67.044,0.016);(67.05,0.037);(67.065,0.019);(68.182,0.016);(68.995,0.248);(69.0,0.204);(69.007,0.025);(69.015,0.051);(69.019,0.027);(69.023,0.014);(69.03,0.015);(69.038,0.019);(69.049,0.017);(69.068,0.014);(69.088,0.014);(69.095,0.014);(69.34,0.014);(70.602,0.014);(71.51,0.014);(74.324,0.018);(77.001,0.025);(77.013,0.024);(77.034,0.029);(77.039,0.015);(78.008,0.025);(78.152,0.016);(78.224,0.014);(78.955,0.017);(78.983,0.021);(79.015,0.044);(79.021,0.034);(79.025,0.015);(79.03,0.036);(80.993,0.02);(80.999,0.056);(82.004,0.041);(82.02,0.019);(82.027,0.021);(83.01,0.026);(83.015,0.074);(84.527,0.015);(87.443,0.015);(91.017,0.026);(91.954,0.019);(93.034,0.029);(93.409,0.014);(94.003,0.067);(95.013,0.434);(95.02,0.115);(95.042,0.041);(95.06,0.042);(95.085,0.02);(95.121,0.014);(96.012,0.017);(96.987,0.027);(96.992,0.075);(97.001,0.035);(97.012,0.021);(97.02,0.02);(97.331,0.014);(98.401,0.014);(99.002,0.016);(99.913,0.018);(101.036,0.346);(101.041,0.133);(101.049,0.06);(101.058,0.018);(101.092,0.039);(101.102,0.02);(101.129,0.022);(102.043,0.022);(102.373,0.014);(102.543,0.016);(103.048,0.028);(103.056,0.032);(103.083,0.018);(103.739,0.017);(104.99,0.014);(108.375,0.014);(108.984,0.018);(108.992,0.063);(109.309,0.017);(109.631,0.018);(110.003,0.016);(110.034,0.028);(111.006,0.33);(111.013,0.22);(111.027,0.018);(111.04,0.014);(111.052,0.034);(111.078,0.037);(111.107,0.025);(111.116,0.017);(111.35,0.026);(111.394,0.016);(111.572,0.015);(111.634,0.019);(112.013,0.014);(114.785,0.014);(115.045,0.017);(115.05,0.052);(115.057,0.053);(115.105,0.015);(117.025,0.051);(117.033,0.178);(117.046,0.03);(117.058,0.027);(117.068,0.017);(117.08,0.027);(117.09,0.015);(117.129,0.014);(117.558,0.014);(117.847,0.014);(118.066,0.014);(118.609,0.019);(119.009,0.024);(119.673,0.014);(120.011,0.017);(120.991,0.052);(121.024,0.021);(121.03,0.022);(121.603,0.014);(121.765,0.016);(121.993,0.03);(123.001,0.052);(123.006,0.132);(123.012,0.064);(123.025,0.027);(123.044,0.03);(123.051,0.021);(123.064,0.025);(123.591,0.014);(124.984,0.079);(125.033,0.021);(125.044,0.016);(125.05,0.014);(125.218,0.016);(125.918,0.018);(127.052,0.109);(127.064,0.045);(127.096,0.02);(127.119,0.014);(128.158,0.015);(129.035,0.046);(129.076,0.029);(131.165,0.016);(131.828,0.019);(133.351,0.027);(133.379,0.017);(134.773,0.023);(136.008,0.017);(136.987,0.883);(136.994,0.129);(137.014,0.014);(137.039,0.022);(137.051,0.048);(137.064,0.028);(137.085,0.023);(137.09,0.015);(137.113,0.02);(137.213,0.016);(137.327,0.014);(137.669,0.016);(137.982,0.014);(138.018,0.022);(138.999,0.364);(139.004,0.442);(139.011,0.019);(139.04,0.053);(139.05,0.216);(139.06,0.122);(139.073,0.016);(139.084,0.024);(139.091,0.031);(139.11,0.034);(139.122,0.014);(139.136,0.018);(139.153,0.031);(139.217,0.025);(139.254,0.02);(139.392,0.041);(139.413,0.014);(139.49,0.019);(139.604,0.014);(139.621,0.016);(139.655,0.014);(139.682,0.016);(139.718,0.038);(139.841,0.014);(139.857,0.015);(139.898,0.015);(140.055,0.037);(140.909,0.019);(141.029,0.035);(141.066,0.169);(141.072,0.137);(141.084,0.02);(141.095,0.034);(141.114,0.032);(141.128,0.029);(141.161,0.015);(141.174,0.016);(142.555,0.014);(142.954,0.014);(143.042,0.133);(143.05,0.168);(143.066,0.027);(143.089,0.032);(143.116,0.014);(143.246,0.015);(143.501,0.014);(143.696,0.015);(144.477,0.014);(145.022,0.067);(145.028,0.091);(145.036,0.034);(145.051,0.028);(145.063,0.027);(145.084,0.023);(145.817,0.015);(145.981,0.028);(145.994,0.023);(146.154,0.014);(146.223,0.016);(146.419,0.059);(147.262,0.014);(148.01,0.022);(148.544,0.016);(150.001,0.019);(150.895,0.014);(151.051,0.12);(151.062,0.06);(151.081,0.021);(151.093,0.02);(151.106,0.019);(151.125,0.02);(151.399,0.017);(152.071,0.015);(152.46,0.016);(152.716,0.017);(153.033,0.027);(154.029,0.014);(154.23,0.014);(154.471,0.015);(155.051,0.049);(155.061,0.032);(157.054,0.035);(157.062,0.043);(157.124,0.016);(159.308,0.014);(159.608,0.014);(160.168,0.015);(160.549,0.014);(160.93,0.015);(161.26,0.016);(161.928,0.015);(163.998,0.014);(164.025,0.022);(164.899,0.015);(164.983,0.042);(165.022,0.019);(165.994,0.019);(166.039,0.023);(166.168,0.016);(166.218,0.016);(166.767,0.014);(166.993,0.087);(167.006,0.023);(167.046,0.447);(167.056,0.16);(167.085,0.061);(167.101,0.036);(167.118,0.032);(167.133,0.023);(167.194,0.017);(167.284,0.017);(167.322,0.017);(167.337,0.015);(167.797,0.017);(167.904,0.014);(168.051,0.039);(168.1,0.016);(168.527,0.014);(169.062,0.142);(169.073,0.082);(169.083,0.036);(169.11,0.025);(169.143,0.022);(169.178,0.017);(169.261,0.02);(169.593,0.025);(170.856,0.021);(171.035,0.043);(171.043,0.207);(171.051,0.086);(171.073,0.026);(171.086,0.031);(171.132,0.015);(171.154,0.016);(171.236,0.014);(171.441,0.017);(171.477,0.019);(172.033,0.024);(172.439,0.03);(174.139,0.015);(175.376,0.015);(179.006,0.019);(179.045,0.044);(179.056,0.046);(180.051,0.024);(180.281,0.016);(180.719,0.015);(181.055,0.021);(181.087,0.016);(182.253,0.017);(183.047,0.03);(184.045,0.024);(185.052,0.022);(185.064,0.038);(185.097,0.024);(185.149,0.031);(185.224,0.014);(185.332,0.019);(186.989,0.014);(187.098,0.015);(191.289,0.017);(191.72,0.014);(192.521,0.018);(192.558,0.022);(193.766,0.015);(194.026,0.059);(194.051,0.014);(194.085,0.017);(194.129,0.014);(194.191,0.014);(194.865,0.015);(195.038,0.136);(195.046,0.204);(195.057,0.041);(195.073,0.027);(195.092,0.027);(195.126,0.016);(195.178,0.018);(195.198,0.018);(195.22,0.019);(195.358,0.014);(195.627,0.014);(195.887,0.015);(196.045,0.034);(196.06,0.014);(196.893,0.014);(197.054,0.068);(197.072,0.033);(197.444,0.014);(198.138,0.015);(199.027,0.029);(199.045,0.023);(199.056,0.02);(199.633,0.014);(199.76,0.014);(199.879,0.015);(201.665,0.017);(202.236,0.014);(203.477,0.014);(204.442,0.015);(206.044,0.014);(207.037,0.023);(207.054,0.014);(207.621,0.014);(208.666,0.017);(209.194,0.016);(210.095,0.015);(211.029,0.031);(211.04,0.045);(211.085,0.016);(211.98,0.016);(212.048,0.016);(213.057,0.056);(213.07,0.023);(213.646,0.019);(214.866,0.014);(215.514,0.016);(215.536,0.017);(215.917,0.014);(216.03,0.017);(218.12,0.018);(218.339,0.014);(219.507,0.015);(222.028,0.023);(222.089,0.015);(222.831,0.015);(223.029,0.045);(223.038,0.137);(223.054,0.034);(223.093,0.04);(223.29,0.016);(223.515,0.014);(223.593,0.015);(224.046,0.048);(226.032,0.022);(226.68,0.015);(226.811,0.018);(228.624,0.018);(230.806,0.014);(231.08,0.019);(234.417,0.014);(235.477,0.016);(235.63,0.014);(236.781,0.015);(239.014,0.014);(239.028,0.018);(239.037,0.048);(240.034,0.037);(240.254,0.019);(241.036,0.043);(241.05,0.032);(241.074,0.021);(241.748,0.016);(242.404,0.021);(250.041,0.034);(250.254,0.016);(250.718,0.017);(251.039,0.025);(251.061,0.027);(251.679,0.015);(251.986,0.018);(252.488,0.015);(254.514,0.021);(255.51,0.015);(256.491,0.015);(256.878,0.015);(257.858,0.015);(259.093,0.016);(259.589,0.015);(260.926,0.014);(261.066,0.016);(265.544,0.015);(267.028,0.022);(267.688,0.016);(268.023,0.015);(268.039,0.015);(269.037,0.052);(269.074,0.015)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(41.03912516,0.0601942617);(51.0234751,0.0814485404);(53.03912516,0.0435174387);(65.03912516,0.0631847477);(79.05477522,0.7564711776);(103.0547752,0.1779229828);(105.0704253,0.0740696695);(123.008219,0.1312444369);(125.023869,0.0828463612);(141.0187836,0.3929354251);(147.0446045,0.0452502847);(151.0031336,0.065404595);(165.0187836,0.0884769203);(166.9980482,0.2040948099);(167.0344337,0.026341448);(169.0136983,0.5846592314);(193.0136983,1.241977632);(207.0293483,0.1077490082);(213.0551691,0.05180715);(217.0136983,0.0342889394);(219.0293483,0.0307663216);(229.0500838,1.082932404);(235.0395191,0.037475848);(239.0344337,0.1780726529);(241.0136983,0.0227042188);(241.0500838,0.259393721);(243.0293483,0.0995757861);(245.0449984,0.1099029642);(253.0500838,14.05246987);(255.0293483,0.4044900735);(271.0606485,79.40833108)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,0.3287216659);(51.0234751,1.094953711);(53.03912516,0.3874312125);(56.99765427,0.3663439806);(59.01330434,0.3549696342);(65.03912516,0.268954273);(79.05477522,3.061227261);(103.0547752,0.3272820377);(123.008219,0.398013197);(125.023869,0.2552487678);(129.0340398,0.3186538462);(151.0031336,1.38713987);(165.0187836,0.3819260643);(166.9980482,0.5468604981);(167.0344337,0.7228444218);(169.0136983,0.8040758229);(193.0136983,5.685223917);(207.0293483,0.3537029106);(213.0551691,0.8343022899);(215.0708192,0.4317131826);(217.0136983,0.3496776927);(219.0293483,0.3673398908);(223.0395191,0.4207809491);(229.0500838,0.7478803553);(239.0344337,0.6689763866);(241.0500838,2.32321191);(243.0293483,0.9658131483);(245.0449984,0.855714292);(253.0500838,18.90359793);(255.0293483,1.144459036);(271.0606485,54.94295984)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,5.230609295);(53.03912516,1.724392661);(65.03912516,2.109821778);(67.01838972,1.592919494);(68.99765427,2.454677865);(79.05477522,3.147790632);(92.99765427,1.613530177);(103.0547752,4.235233207);(105.0340398,5.690490238);(105.0704253,1.544194872);(107.0496898,1.375302195);(123.008219,7.541815074);(125.023869,6.579363068);(129.0340398,3.614724582);(131.0496898,4.42751431);(137.023869,2.977579006);(141.0187836,1.497483762);(147.008219,1.48719694);(149.023869,1.541514035);(151.0031336,5.88660769);(166.9980482,2.529101316);(169.0136983,1.610740212);(173.0602545,1.617758856);(175.0031336,1.755635222);(193.0136983,4.288914501);(197.0602545,5.311798003);(213.0551691,1.788365139);(229.0500838,2.684944815);(235.0395191,1.941278249);(245.0449984,1.318567588);(253.0500838,8.880135216)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(41.00273965,0.0619655784);(56.99765427,0.0374967624);(63.0234751,0.0252628492);(77.03912516,1.683200452);(101.0391252,0.2674410262);(103.0183897,0.1353670046);(105.0340398,0.1222603357);(119.0496898,0.2251446003);(120.9925689,0.0305701766);(123.008219,0.5349770204);(129.0340398,0.1510854888);(139.0031336,0.4323265833);(141.0187836,0.1725316036);(145.0289544,0.2656336637);(163.0031336,0.4427476056);(164.9823981,0.1159913424);(165.0187836,0.3275503653);(166.9980482,0.5874097881);(190.9980482,0.375278047);(195.0446045,0.051243207);(205.0136983,0.0268337367);(211.0395191,1.735339486);(213.0551691,0.2829153009);(227.0344337,0.1953134058);(237.0187836,0.0316722034);(239.0344337,0.2036681844);(241.0136983,0.0271726461);(243.0293483,0.1625621279);(251.0344337,3.807139908);(253.0136983,0.1473103732);(269.0449984,87.33458913)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.306014666);(41.00273965,2.66463676);(51.0234751,0.1411537935);(77.03912516,2.533791756);(101.0391252,0.624083105);(119.0496898,0.3373631563);(120.9925689,0.4427379902);(123.008219,1.751473253);(127.0183897,0.5177006095);(129.0340398,0.6387545558);(139.0031336,2.145386307);(141.0187836,1.196578447);(145.0289544,0.5473122505);(148.9874835,0.4845207202);(163.0031336,1.6572481);(164.9823981,0.1368880663);(165.0187836,1.302371346);(166.9980482,1.346629357);(171.0446045,0.3960025974);(190.9980482,1.167213858);(195.0446045,0.206722855);(211.0395191,5.694116292);(213.0551691,0.8693006745);(227.0344337,2.11453544);(237.0187836,0.1556689358);(239.0344337,0.2247529036);(241.0136983,0.2777167275);(243.0293483,0.3827146873);(251.0344337,4.654612408);(253.0136983,0.6812497015);(269.0449984,64.40074868)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,3.555285329);(65.00273965,8.107058817);(77.03912516,6.643541366);(80.99765427,6.332612979);(92.99765427,1.504011153);(99.00821896,1.075088596);(101.0391252,6.653472709);(103.0183897,1.555952313);(103.0547752,1.943242619);(105.0340398,2.509171545);(107.0133043,3.702639928);(119.0496898,1.309197242);(120.9925689,5.026707443);(123.008219,16.23429928);(127.0183897,1.069714871);(129.0340398,3.228939306);(141.0187836,0.9711399236);(143.0496898,1.285543886);(148.9874835,1.418345599);(165.0187836,2.804155353);(166.9980482,1.998292795);(171.0446045,3.589191651);(185.023869,0.9244569806);(195.0446045,1.888812005);(211.0395191,2.774294191);(213.0551691,1.270809155);(227.0344337,3.232172352);(243.0293483,0.9279999671);(251.0344337,4.100332876);(253.0136983,1.074177636);(269.0449984,1.289340131)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(271.06009,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(271.06009,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(107.04914,14.0);(169.01314,100.0);(171.02879,21.0);(197.0597,23.0);(271.06009,85.0)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(269.04554,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(225.05571,4.0);(269.04554,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(123.00876,30.0);(143.05023,100.0);(166.99859,56.0);(169.06588,22.0);(179.05023,8.0);(201.05571,6.0);(225.05571,13.0);(269.04554,38.0)

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
Baicalein	Baicalein	human	plasma, urine	unchanged	3h-5h	>20µmol/L	<1%	C₁₅H₁₀O₅	270.052823422	Publications
Baicalein	Baicalein-7-O-sulfate	human	plasma, urine	Not Available	Not Available	Not Available	Not Available	C₁₅H₁₀O₈S	350.009638456	Publications
Baicalein	Baicalein-6-O-glucuronide-7-O-glucuronide	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available			Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Baicalein