PhytoHub: Showing entry for Naringenin

Naringenin

Identification

PhytoHub ID

PHUB000387

Name

Naringenin

Systematic Name

4',5,7-trihydroxyflavan-4-one

Synonyms

5,7,4'-Trihydroxyflavanone

CAS Number

Not Available

Average Mass

272.256

Monoisotopic Mass

272.068473486

Chemical Formula

C₁₅H₁₂O₅

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

InChI Key

FTVWIRXFELQLPI-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2

SMILES

OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.14e-01 g/l
LogS (ALOGPS): -3.11
LogP (ALOGPS): 2.47
Hydrogen Acceptors: 5
Hydrogen Donors: 3
Rotatable Bond Count: 1
Polar Surface Area: 86.99
Refractivity: 71.28980000000001
Polarizability: 27.314576908172157
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.950228081125502
pKa (strongest acidic): 7.856156114596552
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 50202
PubChem: 932
Chemistry Dashboard: DTXSID50274239
MetaboLights: MTBLC50202
FooDB (Compounds): FDB016687

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavanones

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Flavonoid metabolites
Metabolite Sub-class: Flavanones (parent and host metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Naringenin	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Orange flavanones	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Naringin	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical
Narirutin	Polyphenols	Flavonoids	Flavanones	Show Food Phytochemical

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(88.0056,0.00500501);(91.0542,0.00900901);(95.0494,0.00900901);(107.0495,0.01901902);(119.0494,0.08708709);(121.0286,0.003003);(122.9804,0.003003);(123.0443,0.04204204);(124.0481,0.002002);(147.0443,0.49149149);(148.0472,0.00500501);(151.039,0.01001001);(153.0185,1.0);(154.0221,0.01101101);(163.0756,0.003003);(171.0293,0.003003);(189.0544,0.00700701);(273.0764,0.11311311)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.01724,0.04004004);(63.02273,0.06306306);(65.0006,0.03803804);(65.04305,0.04604605);(83.00761,0.05705706);(83.01299,0.11311311);(115.05444,0.03803804);(116.02715,0.04404404);(117.02943,0.08808809);(117.03883,0.05505506);(119.04897,1.0);(120.04892,0.10910911);(125.0148,0.04204204);(132.02284,0.05005005);(137.02234,0.03803804);(152.01012,0.06306306);(165.04114,0.07507508)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.01767,0.02202202);(63.02673,0.04204204);(65.00137,0.12112112);(93.03175,0.16116116);(107.00874,0.02402402);(107.01609,0.04904905);(108.01302,0.02802803);(115.05348,0.08208208);(117.03314,0.28228228);(119.04906,1.0);(120.04605,0.03103103);(120.05094,0.10910911);(141.03491,0.02602603);(144.04909,0.03303303);(161.06644,0.03803804);(162.99745,0.02202202)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02624,0.00700701);(65.00385,0.02102102);(65.00724,0.00500501);(83.0128,0.04004004);(84.01733,0.00800801);(93.03172,0.04804805);(93.03906,0.00700701);(94.03553,0.00500501);(107.01196,0.17917918);(119.04909,0.51251251);(120.05242,0.04204204);(121.02878,0.01001001);(125.02406,0.00800801);(143.04984,0.02602603);(145.0274,0.01901902);(145.04175,0.00800801);(149.02911,0.00600601);(151.00244,0.82482482);(152.00435,0.07007007);(153.00615,0.01501502);(165.0168,0.05005005);(177.01854,0.13213213);(178.01987,0.01501502);(185.06207,0.01301301);(187.03885,0.00900901);(227.07002,0.01201201);(229.05237,0.01101101);(271.05939,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(67.01393,0.002002);(67.02012,0.002002);(68.95403,0.004004);(68.99469,0.002002);(79.01549,0.002002);(91.04803,0.00600601);(91.05454,0.02002002);(92.05991,0.003003);(92.50246,0.002002);(95.04691,0.002002);(97.03178,0.003003);(107.03867,0.003003);(107.04964,0.00900901);(107.05824,0.00500501);(111.0043,0.002002);(111.01067,0.00600601);(113.05816,0.00500501);(119.04788,0.09309309);(119.75818,0.002002);(120.04624,0.004004);(120.05067,0.01201201);(121.05808,0.00500501);(123.03745,0.003003);(123.04546,0.01101101);(125.02003,0.002002);(125.02849,0.002002);(129.06789,0.004004);(129.2099,0.002002);(142.25076,0.00500501);(147.01007,0.00500501);(147.02657,0.00800801);(147.04248,0.35935936);(148.04262,0.02502503);(148.05211,0.01501502);(149.09712,0.003003);(149.51154,0.002002);(151.03427,0.004004);(151.04672,0.003003);(152.98123,0.002002);(153.01683,0.62362362);(153.07471,0.002002);(153.48018,0.002002);(154.02014,0.04304304);(155.03404,0.00800801);(155.13289,0.002002);(156.02797,0.002002);(156.39819,0.002002);(158.17786,0.002002);(158.58418,0.002002);(159.0381,0.003003);(165.06833,0.004004);(165.95326,0.002002);(167.0403,0.002002);(171.05005,0.003003);(172.757,0.003003);(179.0274,0.003003);(180.03481,0.003003);(186.82944,0.003003);(189.05367,0.00500501);(189.06143,0.01101101);(189.06969,0.003003);(190.04807,0.002002);(190.06084,0.002002);(191.02489,0.003003);(194.33681,0.004004);(227.56743,0.003003);(231.06647,0.003003);(232.07262,0.003003);(237.05342,0.002002);(237.75233,0.00700701);(251.28137,0.002002);(255.05107,0.003003);(255.06767,0.002002);(256.0553,0.002002);(260.30103,0.003003);(271.17056,0.002002);(272.18561,0.002002);(272.79974,0.003003);(272.86145,0.003003);(273.01849,0.003003);(273.03494,0.00600601);(273.04523,0.00500501);(273.0759,1.0);(273.12161,0.00800801)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02315,0.01801802);(65.00248,0.03603604);(83.00897,0.01101101);(83.01412,0.04204204);(93.0322,0.10910911);(107.01157,0.23323323);(109.03253,0.00900901);(117.0327,0.00800801);(119.04884,0.6026026);(120.05243,0.04304304);(125.02031,0.01701702);(133.02718,0.01101101);(143.05042,0.01301301);(145.03093,0.00900901);(151.00249,1.0);(152.00444,0.04304304);(152.01268,0.02402402);(153.0049,0.00800801);(161.05721,0.01901902);(165.01678,0.07907908);(177.01561,0.1031031);(177.02264,0.06806807);(178.01579,0.00600601);(178.02664,0.01401401);(184.05022,0.00600601);(185.05211,0.01201201);(185.0614,0.01701702);(186.06464,0.00600601);(187.03185,0.00600601);(187.04216,0.01501502);(201.05244,0.00700701);(227.06566,0.00600601);(227.07492,0.00900901);(253.05394,0.00600601);(271.06079,0.96496496);(271.1059,0.00600601)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.03304,0.02202202);(107.01254,0.01001001);(119.04942,0.05505506);(151.0024,0.32332332);(152.00342,0.02102102);(165.01727,0.00900901);(177.01721,0.06106106);(271.05972,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(53.24114,0.003003);(63.02315,0.01801802);(65.00248,0.03603604);(65.04755,0.003003);(67.0211,0.002002);(73.11856,0.002002);(80.02556,0.003003);(81.03356,0.004004);(83.00897,0.01101101);(83.01412,0.04204204);(93.0322,0.10810811);(107.01157,0.23323323);(108.01163,0.00500501);(109.03253,0.00900901);(117.0327,0.00800801);(119.04884,0.6026026);(120.05243,0.04304304);(120.0886,0.002002);(121.02458,0.003003);(121.05293,0.003003);(122.0637,0.003003);(124.01753,0.00500501);(125.02031,0.01701702);(125.03001,0.004004);(126.02318,0.003003);(126.02954,0.002002);(127.31879,0.002002);(129.97482,0.003003);(130.21935,0.002002);(133.02718,0.01101101);(133.03516,0.002002);(136.01302,0.004004);(139.0773,0.004004);(139.61424,0.003003);(143.05042,0.01301301);(143.05774,0.003003);(144.05363,0.003003);(145.03093,0.00900901);(146.03394,0.002002);(147.04149,0.003003);(151.00249,1.0);(151.2514,0.003003);(152.00444,0.04304304);(152.01268,0.02402402);(153.0049,0.00800801);(153.01749,0.002002);(153.10411,0.002002);(157.0607,0.003003);(161.05721,0.01801802);(162.06026,0.003003);(162.06606,0.003003);(163.00092,0.004004);(165.01678,0.07907908);(167.05621,0.003003);(169.05891,0.002002);(176.79582,0.002002);(177.01561,0.1031031);(177.02264,0.06806807);(178.01579,0.00600601);(178.02664,0.01401401);(182.07014,0.002002);(184.05022,0.00600601);(185.05211,0.01201201);(185.0614,0.01701702);(186.06464,0.00600601);(187.03185,0.00600601);(187.04216,0.01501502);(187.14082,0.004004);(188.26831,0.002002);(189.0419,0.002002);(199.0746,0.003003);(201.05244,0.00700701);(212.04713,0.003003);(225.91606,0.002002);(225.98421,0.003003);(226.07173,0.003003);(227.06566,0.00600601);(227.07492,0.00900901);(228.07285,0.002002);(231.95284,0.003003);(253.05394,0.00600601);(271.02344,0.003003);(271.06079,0.96496496);(271.1059,0.00600601);(271.14526,0.003003)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.03358,0.25825826);(119.05054,1.0);(151.00171,0.22622623);(151.00923,0.17217217);(177.00163,0.17217217);(177.01141,0.25825826);(209.05594,0.19319319);(271.05429,0.66666667)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.03368,0.01401401);(107.01151,0.01001001);(119.04898,0.04204204);(125.02491,0.00500501);(151.00227,0.32232232);(152.0058,0.02902903);(165.01955,0.01201201);(165.02602,0.00500501);(177.01881,0.05305305);(271.06009,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.03332,0.01901902);(107.01282,0.01001001);(119.04887,0.03903904);(120.0529,0.00500501);(125.02356,0.00600601);(151.00206,0.32232232);(152.00601,0.02302302);(165.01671,0.01601602);(177.01833,0.05105105);(178.01837,0.00600601);(227.0699,0.00700701);(271.05984,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.0022,0.03303303);(83.01064,0.02102102);(83.01675,0.00800801);(93.03374,0.08408408);(107.01321,0.12812813);(108.01435,0.00900901);(117.03108,0.00500501);(119.04841,0.53753754);(120.05232,0.03303303);(121.02635,0.00600601);(125.02666,0.00900901);(143.04787,0.00900901);(145.02817,0.02002002);(151.00194,0.84984985);(152.00601,0.08208208);(153.0063,0.01701702);(161.06155,0.02202202);(165.01733,0.05505506);(177.01712,0.11511512);(178.01967,0.01101101);(185.05566,0.00700701);(185.06271,0.02002002);(186.06242,0.00500501);(187.03773,0.02002002);(187.04739,0.00600601);(199.07353,0.00600601);(227.06479,0.01001001);(229.04735,0.00500501);(271.05963,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02323,0.02502503);(65.00255,0.08908909);(80.02542,0.01301301);(83.01173,0.14514515);(84.01203,0.00700701);(89.03741,0.00500501);(93.03352,0.08208208);(107.01248,0.22422422);(108.0162,0.03103103);(109.02865,0.00500501);(109.03342,0.00600601);(117.03305,0.01801802);(117.41328,0.00600601);(119.04861,1.0);(120.05044,0.0970971);(120.05843,0.00800801);(121.03279,0.01101101);(121.05235,0.00700701);(121.05766,0.00700701);(125.01898,0.01001001);(133.03362,0.01101101);(134.03601,0.00700701);(136.01556,0.01001001);(143.04657,0.03103103);(145.02806,0.02302302);(146.03346,0.00900901);(151.00107,0.13313313);(152.00531,0.02902903);(156.06598,0.00600601);(158.06529,0.00600601);(159.04314,0.00600601);(161.05881,0.03703704);(167.04726,0.00900901);(177.02075,0.02802803);(183.04478,0.00700701);(185.05759,0.01101101);(185.06511,0.01401401);(187.03903,0.06306306);(199.06812,0.00700701);(209.05373,0.00600601);(224.04323,0.00600601)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.0232,0.04704705);(64.99949,0.01701702);(65.00293,0.05005005);(83.01306,0.06706707);(93.03375,0.04904905);(107.01256,0.21421421);(108.01592,0.01401401);(108.9914,0.00800801);(117.03387,0.02402402);(117.04121,0.00900901);(119.04859,1.0);(120.01888,0.00800801);(120.05064,0.11211211);(121.02498,0.00900901);(121.03058,0.00800801);(125.02093,0.00700701);(137.02422,0.02902903);(143.04811,0.04304304);(144.05188,0.00500501);(145.02362,0.01001001);(145.03117,0.02902903);(146.03777,0.00700701);(151.0029,0.13913914);(152.004,0.01301301);(156.05641,0.01001001);(157.06161,0.01001001);(161.05937,0.02002002);(164.00978,0.01201201);(165.01826,0.01301301);(177.0181,0.03103103);(184.05287,0.00500501);(185.05713,0.01901902);(185.06734,0.00600601);(187.0378,0.05405405);(187.05215,0.00500501);(198.06689,0.00500501);(225.05115,0.00500501)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.02353,0.02602603);(65.00121,0.03803804);(65.00642,0.01801802);(68.99669,0.00700701);(79.02068,0.00500501);(83.01235,0.05505506);(83.19991,0.00700701);(84.01662,0.00700701);(93.03177,0.03003003);(97.28269,0.00700701);(107.01271,0.2022022);(108.01711,0.02502503);(109.03084,0.01001001);(115.05515,0.01301301);(117.03236,0.01401401);(117.03838,0.00600601);(118.03532,0.00700701);(119.04917,1.0);(120.05309,0.06706707);(121.02409,0.00600601);(130.04031,0.00700701);(133.02945,0.00900901);(134.0289,0.00600601);(136.01141,0.00900901);(137.02191,0.00800801);(143.04961,0.02302302);(144.05243,0.00500501);(145.02887,0.04404404);(146.03619,0.00700701);(149.0204,0.00600601);(151.00276,0.17517518);(152.00471,0.01101101);(161.05432,0.00500501);(161.06181,0.02102102);(165.01521,0.01701702);(165.02676,0.00500501);(177.01381,0.01501502);(177.03029,0.00600601);(185.0616,0.00500501);(187.04034,0.05705706);(188.04724,0.00800801);(209.05943,0.00600601)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(64.02696,0.01901902);(65.00446,0.04504505);(66.00632,0.02802803);(83.01041,0.03003003);(83.01619,0.04104104);(91.98857,0.02702703);(93.03363,0.08808809);(107.01142,0.06906907);(107.01946,0.05105105);(116.02153,0.01901902);(117.03271,0.08108108);(119.04914,1.0);(120.0506,0.01901902);(122.03583,0.01901902);(140.209,0.01701702);(142.03708,0.01701702);(143.05295,0.03303303);(158.03419,0.03403403);(186.02899,0.02102102)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(107.013,0.01496411);(119.0499,0.05207024);(151.0032,0.25092258);(151.0369,0.00687376);(165.0192,0.00646823);(177.0185,0.03925544);(271.0607,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(147.0433,0.19398496);(147.0771,0.01654135);(153.0172,0.33609023);(153.0289,0.02481203);(153.0517,0.02255639);(163.0679,0.01879699);(164.9479,0.01804511);(194.9541,0.02406015);(273.0713,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(107.0495,0.05008636);(119.0489,0.06822107);(123.0383,0.03713299);(123.0446,0.02677029);(135.9427,0.02158895);(147.0435,0.42400691);(147.0966,0.01813472);(153.0169,1.0);(153.0582,0.03367876);(153.0763,0.02072539);(189.0547,0.01986183);(273.0744,0.07340242)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(147.043,0.194);(147.077,0.017);(153.017,0.336);(153.029,0.025);(153.052,0.023);(163.068,0.019);(164.948,0.018);(194.954,0.024);(273.071,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(107.0456,0.04285714);(107.0529,0.04285714);(111.0083,0.0755102);(119.0503,0.54285714);(125.0245,0.04489796);(147.0412,0.1);(153.0184,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(107.05,0.05);(119.049,0.068);(123.038,0.037);(123.045,0.027);(135.943,0.022);(147.044,0.424);(147.097,0.018);(153.017,1.0);(153.058,0.034);(153.076,0.021);(189.055,0.02);(273.074,0.073)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(107.046,0.043);(107.053,0.043);(111.008,0.076);(119.05,0.543);(125.024,0.045);(147.041,0.1);(153.018,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(107.013,0.015);(119.05,0.052);(151.003,0.251);(177.018,0.039);(271.061,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(107.014,0.25113447);(107.0503,0.00581779);(108.9906,0.00601171);(119.0496,0.63332428);(119.083,0.01931505);(119.1513,0.00911453);(121.0302,0.00612807);(125.0223,0.01819028);(143.0489,0.00597293);(145.0294,0.01617345);(151.0031,1.0);(151.0395,0.03036885);(151.0551,0.00581779);(151.0828,0.00911453);(151.1178,0.01574681);(161.0614,0.00826126);(165.0187,0.04076329);(177.0179,0.13086142);(185.0591,0.01004538);(187.0393,0.01338091);(227.0693,0.01896599);(229.0486,0.00643835);(253.053,0.00915332);(271.0594,0.2626149)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(107.014,0.251);(119.05,0.633);(119.083,0.019);(125.022,0.018);(145.029,0.016);(151.003,1.0);(151.04,0.03);(151.118,0.016);(165.019,0.041);(177.018,0.131);(185.059,0.01);(187.039,0.013);(227.069,0.019);(271.059,0.263)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(107.0128,0.12272389);(108.022,0.01198132);(109.0285,0.01475665);(117.0344,0.02897177);(119.0496,1.0);(119.0798,0.02958099);(119.1019,0.01529818);(119.1237,0.00731063);(119.1512,0.01482434);(119.1861,0.00507683);(121.0323,0.00629527);(143.0492,0.02944561);(145.0264,0.01834428);(151.0026,0.04508224);(157.0614,0.00812293);(161.0603,0.01238746);(177.0175,0.0113721);(185.0583,0.00534759);(187.043,0.02633182);(201.0573,0.0060245)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(107.013,0.123);(108.022,0.012);(109.028,0.015);(117.034,0.029);(119.05,1.0);(119.08,0.03);(119.102,0.015);(119.151,0.015);(143.049,0.029);(145.026,0.018);(151.003,0.045);(161.06,0.012);(177.018,0.011);(187.043,0.026)
LC-MS/MS	LC-ESI-ITFT	Negative	high	View Spectrum	(52.72946,0.00500797);(55.77933,0.00460963);(57.0814,0.00448614);(57.45391,0.00556854);(63.02258,0.02132116);(65.00195,0.02988049);(67.61636,0.00500294);(70.17818,0.00594646);(83.0127,0.02815602);(93.03327,0.08516463);(93.98655,0.00527574);(107.01259,0.10227101);(119.04903,0.29089515);(125.02328,0.00782521);(135.78636,0.00503252);(150.87279,0.00629921);(151.00259,0.63740366);(153.92522,0.00537877);(165.01851,0.02583469);(169.01347,0.02078858);(177.01845,0.09698387);(200.38974,0.01209237);(271.06119,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(119.051,0.0467616);(123.044,0.0370662);(147.044,0.6078145);(148.048,0.0113113);(151.039,0.0125695);(153.018,1.0);(154.023,0.0270265);(179.036,0.0141192);(189.058,0.0176358);(255.067,0.0169007);(273.076,0.5286093);(274.081,0.0246689)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(67.019,0.0186967);(68.998,0.0126366);(69.036,0.0097117);(91.054,0.0732733);(95.05,0.0204264);(97.029,0.011988);(107.051,0.0222102);(119.05,0.3386787);(123.044,0.0394715);(147.044,0.2275676);(153.018,1.0);(154.023,0.0356697)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(53.037,0.0111391);(55.017,0.0718038);(65.038,0.1125168);(67.018,0.1665237);(68.997,0.2395872);(69.035,0.1956044);(77.039,0.0605468);(79.018,0.0331546);(81.034,0.0135272);(83.014,0.0471723);(85.03,0.0098767);(91.054,0.7753953);(92.058,0.0168025);(92.999,0.0114286);(95.05,0.0921201);(97.029,0.0914232);(107.049,0.0644063);(111.011,0.0382203);(115.054,0.0299384);(119.05,0.5392656);(120.054,0.0146851);(123.044,0.0249397);(125.022,0.0186626);(128.06,0.0202332);(147.043,0.0597159);(152.06,0.0313053);(153.018,1.0);(154.024,0.0440901);(157.068,0.0101153)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(119.051,0.047);(123.044,0.037);(147.044,0.608);(148.048,0.011);(151.039,0.013);(153.018,1.0);(154.023,0.027);(179.036,0.014);(189.058,0.018);(255.067,0.017);(273.076,0.529);(274.081,0.025)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(67.019,0.019);(68.998,0.013);(69.036,0.01);(91.054,0.073);(95.05,0.02);(97.029,0.012);(107.051,0.022);(119.05,0.339);(123.044,0.039);(147.044,0.228);(153.018,1.0);(154.023,0.036)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(53.037,0.011);(55.017,0.072);(65.038,0.113);(67.018,0.167);(68.997,0.24);(69.035,0.196);(77.039,0.061);(79.018,0.033);(81.034,0.014);(83.014,0.047);(85.03,0.01);(91.054,0.775);(92.058,0.017);(92.999,0.011);(95.05,0.092);(97.029,0.091);(107.049,0.064);(111.011,0.038);(115.054,0.03);(119.05,0.539);(120.054,0.015);(123.044,0.025);(125.022,0.019);(128.06,0.02);(147.043,0.06);(152.06,0.031);(153.018,1.0);(154.024,0.044);(157.068,0.01)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(83.014,0.0154703);(93.035,0.0874536);(107.017,0.1710006);(119.05,0.4937088);(125.024,0.0168844);(145.031,0.0147394);(151.003,1.0);(165.021,0.0527501);(169.012,0.0237268);(177.017,0.1521869);(185.058,0.0103475);(227.071,0.0329658);(271.061,0.4264829)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.025,0.1516982);(65.004,0.1868391);(83.013,0.0999035);(93.034,0.0737553);(107.016,0.3164801);(108.024,0.0129101);(117.036,0.0230027);(119.05,1.0);(121.029,0.0140544);(143.052,0.0283288);(145.031,0.0275762);(151.004,0.2111154);(161.062,0.0317445);(165.02,0.0201081);(177.017,0.0313971);(185.058,0.0182999);(187.037,0.0613277)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(119.052,0.013);(151.004,0.106);(177.018,0.027);(271.055,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.025,0.2982475);(65.004,0.4591658);(68.999,0.0192674);(83.012,0.0932001);(93.035,0.1002804);(107.016,0.075184);(108.024,0.0133544);(115.057,0.010715);(117.035,0.0968805);(119.05,1.0);(143.053,0.0249106);(145.031,0.0248966);(187.037,0.0121381)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(83.014,0.015);(93.035,0.087);(107.017,0.171);(119.05,0.494);(125.024,0.017);(145.031,0.015);(151.003,1.0);(165.021,0.053);(169.012,0.024);(177.017,0.152);(185.058,0.01);(227.071,0.033);(271.061,0.426)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.025,0.152);(65.004,0.187);(83.013,0.1);(93.034,0.074);(107.016,0.316);(108.024,0.013);(117.036,0.023);(119.05,1.0);(121.029,0.014);(143.052,0.028);(145.031,0.028);(151.004,0.211);(161.062,0.032);(165.02,0.02);(177.017,0.031);(185.058,0.018);(187.037,0.061)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.025,0.298);(65.004,0.459);(68.999,0.019);(83.012,0.093);(93.035,0.1);(107.016,0.075);(108.024,0.013);(115.057,0.011);(117.035,0.097);(119.05,1.0);(143.053,0.025);(145.031,0.025);(187.037,0.012)
LC-MS/MS	LC-ESI-TOF	Negative	medium	View Spectrum	(83.011,0.015);(93.031,0.053);(107.012,0.095);(108.019,0.021);(117.032,0.035);(119.048,1.0);(120.052,0.055);(143.048,0.02);(145.028,0.035);(151.002,0.045);(161.06,0.022);(187.039,0.043)
LC-MS/MS	LC-ESI-TOF	Positive	low	View Spectrum	(77.039,0.014);(91.053,0.352);(92.057,0.034);(95.048,0.032);(97.029,0.034);(107.051,0.036);(119.049,0.276);(120.05,0.025);(123.041,0.02);(147.042,0.079);(153.016,1.0);(154.02,0.058)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.03358,0.25806452);(119.05054,1.0);(151.00171,0.22580645);(151.00923,0.17204301);(177.00163,0.17204301);(177.01141,0.25806452);(209.05594,0.19354839);(271.05429,0.66666667)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.034,0.258);(119.051,1.0);(151.002,0.226);(151.009,0.172);(177.002,0.172);(177.011,0.258);(209.056,0.194);(271.054,0.667)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(63.023,0.018);(65.002,0.036);(83.009,0.011);(83.014,0.042);(93.032,0.109);(107.012,0.233);(119.049,0.603);(120.052,0.043);(125.02,0.017);(133.027,0.011);(143.05,0.013);(151.002,1.0);(152.004,0.043);(152.013,0.024);(161.057,0.019);(165.017,0.079);(177.016,0.103);(177.023,0.068);(178.027,0.014);(185.052,0.012);(185.061,0.017);(187.042,0.015);(271.061,0.965)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(91.055,0.02);(119.048,0.093);(120.051,0.012);(123.045,0.011);(147.042,0.36);(148.043,0.025);(148.052,0.015);(153.017,0.624);(154.02,0.043);(189.061,0.011);(273.076,1.0)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.7325,0.0001413);(50.792688,0.00017241);(50.851321,0.00016298);(50.938988,0.00012732);(51.116682,0.00014396);(51.159302,0.00015127);(51.868704,0.00015011);(52.103103,0.00016423);(52.626845,0.00014256);(52.806335,0.00013855);(53.124903,0.00014027);(53.35037,0.00015335);(53.630598,0.00013126);(53.947872,0.00018923);(53.972763,0.00012799);(54.134503,0.00014847);(54.242215,0.00014548);(54.570146,0.00014267);(55.111091,0.00014221);(55.236821,0.00015889);(55.620691,0.00014735);(56.776327,0.00017138);(57.033293,0.00016303);(57.126074,0.00017418);(57.211484,0.00018853);(57.921791,0.00014925);(57.974325,0.00578886);(58.282231,0.00014345);(58.28916,0.00014193);(58.392285,0.00014308);(58.718252,0.00014931);(58.857224,0.0001554);(58.963467,0.00013189);(58.994643,0.0003381);(59.012513,0.07327295);(59.252117,0.00015481);(59.637991,0.00014248);(59.849197,0.00015165);(60.015848,0.00017852);(60.129582,0.00015471);(60.228098,0.00015332);(60.382762,0.00017016);(60.844283,0.00014122);(60.940577,0.00015146);(61.044399,0.00014942);(61.919138,0.00013841);(61.935581,0.0001481);(61.987033,0.06043064);(62.100546,0.00016984);(62.361231,0.00014518);(62.365284,0.00013904);(62.827894,0.00013813);(63.022689,0.01545928);(63.20097,0.00015146);(63.230083,0.00014601);(63.943351,0.00016351);(63.961104,0.00592461);(64.112755,0.00014376);(64.222368,0.00013151);(64.619774,0.00015544);(64.951184,0.00452724);(65.00194,0.02751679);(65.106107,0.00013743);(65.255941,0.0001266);(65.85813,0.00015045);(65.995197,0.00013076);(65.996872,0.00017557);(66.070338,0.00015713);(66.515756,0.00015892);(67.308047,0.0001529);(67.779819,0.00016345);(68.573475,0.00015839);(68.689054,0.00017853);(69.207688,0.00014613);(69.418424,0.00016983);(70.291043,0.00017566);(70.795735,0.00018731);(70.971152,0.00012497);(71.441073,0.00015612);(72.100538,0.00014993);(72.119633,0.00015956);(73.028244,0.00016377);(73.135508,0.00015096);(73.65472,0.00013267);(73.911294,0.00014296);(73.985664,0.00014447);(74.070205,0.0001654);(74.150712,0.00018674);(74.186046,0.00015209);(74.472566,0.00014776);(74.51793,0.0001713);(74.898197,0.0001651);(74.9476,0.00016409);(74.989722,0.00866906);(75.368035,0.00014557);(76.011473,0.00013473);(76.220411,0.00013567);(76.851058,0.00019012);(76.951135,0.00059954);(77.971755,0.00017832);(78.966906,0.00065259);(78.984639,0.0242708);(79.059422,0.00016344);(79.432495,0.00013138);(79.95608,0.05462455);(80.285413,0.00019066);(80.9639,0.02241228);(81.183061,0.00014206);(81.434592,0.00015231);(81.951979,0.00015018);(82.754806,0.00013368);(82.782724,0.00013624);(82.959868,0.00018851);(83.012551,0.0356043);(85.112841,0.00016322);(85.188235,0.00018439);(85.983642,0.00015373);(86.355383,0.00018345);(86.520122,0.00014029);(88.649928,0.0001475);(90.634609,0.00013657);(90.842801,0.00012848);(90.966921,0.00018199);(90.984619,0.00172035);(91.02088,0.00079229);(91.053542,0.00016214);(91.132416,0.00020236);(91.632243,0.0001495);(91.89043,0.00015244);(92.057033,0.00015177);(92.337909,0.00014944);(93.033342,0.12977089);(93.036719,0.00037498);(93.435253,0.00012918);(93.650035,0.00014299);(94.03666,0.00629354);(94.641705,0.00015742);(94.97956,0.07874009);(96.282641,0.00014172);(96.607495,0.00013626);(96.923319,0.00018046);(96.941053,0.00016936);(96.958856,0.38639126);(96.975451,0.00052802);(96.992102,0.00017849);(97.711559,0.00020039);(97.78085,0.00015915);(97.958276,0.00071084);(97.976105,0.00017526);(97.980373,0.00015959);(98.954618,0.0151931);(98.96309,0.00105183);(99.198886,0.00015014);(99.477581,0.00015907);(100.187063,0.00014273);(100.273606,0.0001624);(100.712545,0.00018145);(103.648382,0.00012868);(103.919085,0.0001821);(104.508637,0.00013393);(104.647478,0.00014836);(105.000196,0.00101225);(106.516603,0.00015129);(106.567878,0.00017616);(106.774562,0.000199);(107.012665,0.12308094);(107.072262,0.00017136);(107.395467,0.00016352);(107.951495,0.00016198);(108.015933,0.00577794);(108.019646,0.00015585);(108.069119,0.00014078);(108.674759,0.00017007);(108.977537,0.00359204);(109.02861,0.00016374);(110.956799,0.05487938);(110.974447,0.00586964);(111.782675,0.00017884);(112.278396,0.00014808);(112.936081,0.00138603);(112.952508,0.00329621);(112.99779,0.00017406);(113.66767,0.00016197);(114.80565,0.00013435);(115.010652,0.00014524);(115.503073,0.00015299);(117.020023,0.00016646);(118.940765,0.00018059);(118.979748,0.00016291);(119.049086,0.40618401);(119.142683,0.00016267);(119.789457,0.00013113);(120.052387,0.03199627);(121.028305,0.00310542);(121.333707,0.00017429);(121.444893,0.00015031);(121.573905,0.00016682);(122.129407,0.00013897);(122.682067,0.0001745);(124.310905,0.00016108);(124.343761,0.00015882);(124.427782,0.00015624);(124.954937,0.00029149);(125.023313,0.01841655);(125.770291,0.00013609);(125.9946,0.00021021);(126.951825,0.00110316);(127.02604,0.00016935);(127.868933,0.00013695);(128.41381,0.00019363);(128.924176,0.000126);(130.567444,0.00016144);(130.942621,0.01537766);(133.068196,0.00047657);(134.682426,0.00015334);(135.044103,0.01121322);(136.939276,0.00020526);(136.986909,0.00494557);(138.951856,0.00337579);(140.337782,0.00016313);(140.967701,0.00146373);(141.02125,0.00016981);(141.041061,0.00015912);(141.698798,0.00020051);(142.91122,0.00018052);(142.980311,0.00017565);(143.049111,0.00117089);(145.028535,0.01103896);(145.758025,0.00013301);(145.966185,0.00354008);(147.945327,0.00269019);(149.023325,0.00159874);(149.733249,0.0002028);(151.002708,1.0);(151.623535,0.00014785);(151.793884,0.00018641);(152.006012,0.07368198);(152.035409,0.0001394);(152.916676,0.01765914);(152.92677,0.00020902);(153.007156,0.00554611);(153.018941,0.00023141);(153.329883,0.00014256);(153.545205,0.00013639);(153.556247,0.00015838);(156.172152,0.00014608);(158.84526,0.00019603);(158.938178,0.00199434);(160.555328,0.00017797);(160.584015,0.00017551);(160.841072,0.00992586);(161.059845,0.00148852);(161.578077,0.0001659);(162.838245,0.00884808);(162.847489,0.00018105);(163.088436,0.00016994);(164.364864,0.00015917);(164.835322,0.00157261);(164.982021,0.01484568);(165.018381,0.03863282);(165.214501,0.00012941);(165.956128,0.00978847);(166.021984,0.00070938);(167.223661,0.00016987);(167.830857,0.00015921);(167.903832,0.00140712);(168.151355,0.00013883);(168.179371,0.00013114);(168.889179,0.00089215);(169.013424,0.0218616);(169.215043,0.00020834);(169.351811,0.00013647);(169.906899,0.00017259);(170.003738,0.0001938);(170.889554,0.00998075);(171.044527,0.00013663);(171.505711,0.00018907);(171.887382,0.01106465);(172.885417,0.00219004);(172.953457,0.00432953);(173.079062,0.00019288);(174.910141,0.00014637);(176.993203,0.0027188);(177.018529,0.11803001);(177.498508,0.00017483);(178.022081,0.01070326);(179.882301,0.00020209);(179.952425,0.00017379);(181.644127,0.00013957);(181.789615,0.00015987);(182.699765,0.00014551);(184.000945,0.07128111);(184.503235,0.01520675);(184.998921,0.00249222);(185.060162,0.00493944);(185.892133,0.00081812);(187.039429,0.0060371);(187.977026,0.00059086);(188.984944,0.00086402);(189.956498,0.0013372);(190.54062,0.0001252);(191.00883,0.00183985);(192.178371,0.00017654);(192.42964,0.00017109);(192.682464,0.0001554);(194.927475,0.04091926);(196.923437,0.00153948);(197.902069,0.01847593);(198.921578,0.0001953);(199.876388,0.0026184);(200.499618,0.00029947);(201.993692,0.00165906);(203.071053,0.00074804);(203.888897,0.00017832);(205.859253,0.00296927);(206.905812,0.00035864);(207.011779,0.00701272);(207.856657,0.00080568);(207.967076,0.00272797);(208.014375,0.00019674);(208.157077,0.00017882);(210.900218,0.00425097);(212.823544,0.00016007);(214.89985,0.00983193);(216.597266,0.00014577);(216.896234,0.00206284);(216.947662,0.00190317);(216.959904,0.00156415);(216.966841,0.00180712);(216.976563,0.00243774);(216.988518,0.00339648);(216.992915,0.00312643);(217.008736,0.00044704);(217.050356,0.00035067);(219.844921,0.00023531);(220.85335,0.00235735);(221.841794,0.00017786);(222.27879,0.00020522);(222.850285,0.00107773);(224.115762,0.00019411);(225.293258,0.00016989);(227.071043,0.01501986);(229.050451,0.00154906);(229.488167,0.00016398);(230.894977,0.02852531);(232.874282,0.08171479);(232.975384,0.00153712);(234.151389,0.00015503);(234.869977,0.00526147);(236.566978,0.00016571);(237.221953,0.00038521);(237.659562,0.00017682);(239.504135,0.00016938);(246.239821,0.00019497);(247.839452,0.00047717);(248.079947,0.02506974);(248.581583,0.0058336);(248.839323,0.00018926);(248.905586,0.00053721);(249.032106,0.00048568);(249.059338,0.00019489);(249.079088,0.00050594);(249.152161,0.0033909);(249.579511,0.0001722);(250.144601,0.00038808);(250.884886,0.00781833);(251.132319,0.00836102);(253.050782,0.00166122);(253.21711,0.00048814);(254.856577,0.01115821);(255.088134,0.00084865);(255.105865,0.00162315);(255.233043,0.65141605);(256.23643,0.11538915);(257.046316,0.00084232);(257.239425,0.0099654);(260.720484,0.00014042);(262.035123,0.00018324);(265.148087,0.37382191);(266.151606,0.05088584);(267.143308,0.0124093);(269.046224,0.00036923);(269.121877,0.00383814);(269.177097,0.00020359);(269.21213,0.00205884);(269.248824,0.02419736);(270.252334,0.00110412);(270.829599,0.00020272);(271.061371,0.36176341);(271.228719,0.00063002);(272.064971,0.06262411);(272.829436,0.0035795);(273.067088,0.00664486);(273.827609,0.00048575);(274.824995,0.00104072);(275.168869,0.03014561)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.05367,0.00041323);(52.588209,0.00036969);(52.664649,0.0001328);(52.983981,0.00032903);(53.445235,0.00039892);(53.450466,0.00039446);(53.954077,0.00026278);(53.995521,0.00039549);(54.475496,0.00013531);(54.949823,0.00041105);(55.68613,0.00014504);(56.525238,0.00025964);(56.641774,0.00038757);(56.965566,0.05541584);(56.976513,0.00030009);(57.070712,0.00103434);(57.570644,0.00022248);(57.888848,0.00030767);(58.065951,0.00452701);(58.645187,0.0002933);(58.945977,0.00026407);(59.049941,0.0004797);(59.237028,0.00054454);(59.728644,0.00025166);(59.863012,0.0002967);(60.098558,0.00035028);(60.113706,0.00034567);(61.01142,0.62341762);(61.345202,0.00038951);(61.555409,0.00030023);(61.773093,0.00031688);(61.948989,0.00027078);(62.010897,0.00202035);(62.014795,0.00750693);(62.019274,0.02014764);(62.060903,0.00029074);(62.271612,0.00023244);(63.007236,0.02851892);(63.026999,0.00030423);(63.575754,0.00050024);(63.716883,0.00025843);(67.155863,0.00027883);(67.476199,0.0001466);(67.68066,0.0004302);(67.877908,0.00024084);(68.048666,0.00029595);(68.257218,0.00022024);(68.909235,0.00025225);(69.04109,0.00023779);(69.215449,0.00023044);(69.565885,0.00032794);(69.995624,0.00029067);(70.923923,0.00025998);(70.9587,0.00048846);(71.086101,0.00068685);(72.868884,0.00029392);(74.552347,0.00049548);(74.976098,0.00619622);(77.500559,0.00029655);(77.654444,0.00055868);(78.014028,0.00325526);(78.619128,0.00043636);(79.021865,0.05958985);(79.574108,0.00041337);(79.589329,0.00013917);(80.907978,0.00060228);(81.037311,0.00014035);(81.075224,0.00032405);(82.039068,0.00045526);(82.612094,0.0004479);(83.057049,0.00048666);(83.057625,0.00046535);(83.058543,0.00036842);(83.102969,0.00033991);(83.625134,0.0005383);(85.101793,0.00023755);(85.41368,0.00015588);(85.734659,0.00039167);(86.096775,0.00024669);(86.520507,0.00053747);(86.975952,0.00313779);(87.044537,0.00017939);(87.726269,0.00047606);(87.949963,0.00030565);(88.076297,0.00237864);(89.06026,0.0058232);(89.366359,0.0003522);(89.500258,0.00034227);(89.864406,0.00036559);(90.948068,0.0004195);(92.510231,0.00015691);(92.512201,0.00056204);(92.536144,0.00028182);(94.981287,0.00036573);(96.131304,0.00045225);(98.97586,1.0);(99.979217,0.017347);(100.775163,0.00023938);(100.971835,0.00317144);(100.980018,0.00141205);(101.950352,0.12353641);(102.000304,0.0002212);(102.555089,0.00026638);(102.953276,0.00147723);(102.968683,0.01923197);(104.028364,0.00024992);(104.930737,0.00064041);(105.891554,0.00020729);(106.086954,0.00061644);(106.49736,0.00032904);(107.000398,0.00092886);(107.340343,0.00027106);(107.381559,0.00022705);(108.822522,0.00028937);(108.99908,0.00031507);(113.97545,0.00022192);(114.948495,0.00164031);(116.005585,0.00850454);(116.454026,0.00044201);(116.456766,0.00033227);(116.968727,0.00080008);(116.986287,0.45647575);(117.003804,0.00014346);(117.989556,0.00747936);(118.890322,0.00022615);(118.947731,0.10588723);(118.9817,0.00054957);(118.990818,0.00061244);(119.001787,0.00122809);(119.956237,0.00090114);(119.960687,0.03730573);(120.943525,0.00051206);(120.979069,0.00756665);(122.941157,0.02634149);(123.93961,0.00026522);(124.936626,0.00719471);(125.010546,0.00016041);(125.560873,0.00047315);(126.933712,0.0005973);(128.025433,0.00036487);(129.044753,0.00053409);(130.646908,0.00033423);(131.001647,0.00357929);(132.958522,0.00612642);(133.086096,0.00061176);(133.948678,0.00106055);(134.321823,0.00055836);(134.942378,0.0501471);(134.978815,0.76671652);(134.996566,0.09582312);(135.518485,0.00048962);(135.977341,0.00100063);(135.982313,0.01102458);(136.921321,0.00158611);(136.938028,0.00029478);(136.958021,0.09951233);(136.974641,0.03829675);(136.982972,0.00021024);(137.001857,0.00050169);(137.011874,0.02027667);(137.883434,0.00025117);(137.971046,0.00578687);(138.013026,0.00088493);(138.899212,0.00042218);(138.935342,0.00013695);(138.952626,0.00417802);(138.971708,0.01157789);(139.062848,0.00044459);(140.002334,0.00063202);(140.959199,0.00251228);(144.040818,0.00028081);(145.722454,0.00043842);(146.006945,0.00233494);(146.976535,0.01209887);(147.599179,0.00053701);(147.974845,0.00197094);(148.761474,0.00044594);(148.803483,0.00014938);(148.971875,0.22954225);(148.994665,0.00082699);(149.012344,0.00046617);(149.261188,0.00045883);(149.965804,0.00376273);(149.971868,0.00111572);(150.68079,0.00039183);(150.951111,0.02149678);(150.967526,0.00077782);(150.972712,0.03422224);(151.943748,0.01866303);(151.970167,0.08958478);(151.998875,0.00345589);(152.153987,0.00022619);(152.519259,0.00035612);(152.941502,0.0005647);(152.952612,0.17117894);(152.96788,0.01953855);(152.989372,0.37603229);(153.007091,0.00345127);(153.177594,0.00051238);(153.939036,0.00657606);(153.959655,0.03388559);(153.965992,0.00303028);(153.993155,0.00268819);(154.159215,0.00049305);(154.69694,0.00046624);(154.932206,0.00597827);(154.947289,0.02765713);(154.968633,0.03210267);(154.978145,0.00423711);(154.985087,0.02069142);(154.992465,0.00118569);(155.022135,0.00394821);(155.891353,0.00050438);(155.954812,0.01071656);(156.364295,0.00033888);(156.55317,0.00043246);(156.945457,0.00180134);(156.964607,0.0005039);(156.975186,0.00018637);(156.982253,0.00422085);(157.927443,0.00048844);(158.012514,0.00051945);(158.484557,0.00030978);(159.855619,0.00050647);(161.956233,0.0003919);(161.965861,0.0011458);(162.043024,0.00031896);(162.951101,0.0115363);(162.966062,0.01948198);(164.920507,0.000154);(164.951618,0.03749128);(165.111326,0.00015525);(165.819904,0.00051871);(165.938267,0.01146564);(165.95016,0.00508146);(166.947072,0.01076596);(166.967262,0.00058019);(166.982522,0.03619431);(167.005236,0.00299399);(167.954103,0.00093561);(167.97629,0.00302854);(168.52539,0.00028633);(168.961772,0.00444755);(168.98288,0.0671423);(169.980738,0.01650601);(170.326374,0.0002671);(170.77494,0.00048925);(170.914442,0.01868815);(170.955455,0.0107731);(170.963492,0.23251314);(170.977851,0.0273872);(170.999978,0.02613489);(171.915323,0.00286093);(171.971379,0.01473058);(172.914011,0.00303073);(172.942891,0.00922652);(172.951335,0.00062208);(172.959015,0.01244555);(172.988405,0.00285545);(174.579563,0.00039451);(174.956914,0.00551937);(174.986126,0.0001917);(176.450264,0.00138029);(176.989395,0.43227058);(177.067944,0.00015105);(177.59206,0.00036797);(177.938131,0.00418277);(177.9929,0.01561134);(178.907836,0.00065299);(178.985303,0.02001852);(178.993343,0.00074501);(179.021533,0.0009175);(179.954971,0.00328751);(179.963855,0.07505644);(180.457264,0.00057844);(180.943936,0.00266678);(180.961627,0.01187507);(180.982363,0.00776076);(182.943947,0.00182298);(182.953118,0.00122207);(182.962278,0.04202862);(182.971016,0.00049138);(182.985148,0.00017445);(183.006544,0.00057115);(183.942288,0.00044756);(183.949248,0.00212292);(183.962364,0.07658215);(184.464204,0.00070454);(184.940198,0.00036306);(184.958631,0.01951488);(184.97907,0.00554837);(185.456194,0.00439066);(185.964511,0.00056907);(186.927908,0.00309592);(188.495437,0.00051486);(188.924722,0.05079662);(188.965622,0.00324841);(188.974107,0.09017499);(189.461191,0.00025028);(189.497069,0.00026066);(189.926004,0.02245128);(190.923872,0.00376391);(190.95315,0.00046433);(190.966171,0.03245742);(191.923142,0.00597053);(191.948859,0.00277463);(191.96452,0.00919979);(192.517538,0.00016298);(192.961089,0.52545931);(193.442028,0.00050662);(193.469189,0.00353264);(193.965046,0.03872678);(193.984676,0.00030777);(194.461658,0.00081885);(194.962463,0.20033746);(194.983077,0.00020559);(195.000062,0.43724215);(195.061857,0.00056375);(195.949891,0.00255224);(195.959774,0.12903689);(196.003665,0.01683278);(196.960187,0.10965589);(196.978116,0.00039619);(196.995736,0.02062765);(197.005518,0.00130274);(197.01524,0.08695138);(197.32912,0.00039813);(197.933976,0.00081171);(197.957331,0.0011905);(197.965461,0.00462481);(197.974393,0.18512042);(198.016097,0.01219985);(198.955623,0.02129803);(198.977583,0.00473949);(198.993887,0.02345956);(199.011851,0.0164792);(199.948096,0.00158415);(199.970102,0.0031003);(199.979688,0.00044577);(200.954597,0.01626544);(200.974105,0.00040771);(200.99214,0.0001838);(201.008558,0.00037697);(201.017566,0.00281145);(201.952708,0.00046121);(201.973314,0.04780733);(202.474515,0.00063251);(202.95266,0.00105807);(202.971037,0.00252749);(204.271626,0.00029075);(204.962232,0.00802019);(205.987649,0.00103164);(206.977714,0.01682529);(207.936765,0.00053024);(208.977362,0.01547263);(209.015563,0.00303167);(209.933661,0.00061346);(209.964592,0.0057304);(209.97522,0.00506237);(210.972365,0.27697175);(211.974665,0.01411694);(212.00218,0.00376247);(212.93389,0.01992428);(212.956434,0.13770967);(212.972673,0.2700495);(212.992482,0.15857204);(213.010313,0.02952118);(213.946873,0.00350331);(213.970415,0.16500713);(213.995933,0.00394378);(214.254306,0.00027514);(214.935717,0.05632781);(214.952106,0.0062401);(214.969988,0.1582252);(214.989209,0.06899741);(215.025577,0.02021336);(215.931484,0.00043999);(215.945363,0.00273314);(215.967343,0.00417363);(215.984469,0.03464365);(216.026661,0.00101711);(216.533993,0.00028477);(216.930802,0.00247587);(216.949112,0.00118372);(216.96684,0.02929878);(216.986767,0.01383316);(217.004733,0.00578979);(217.022199,0.005577);(217.032935,0.00171754);(217.942412,0.00058799);(218.965316,0.00760003);(219.174414,0.00949073);(219.708207,0.0002562);(220.178445,0.00027015);(224.987825,0.00082052);(226.988068,0.00147002);(227.201285,0.00024733);(228.131361,0.00030499);(230.966845,0.87814638);(231.002589,0.00977483);(231.969682,0.03202889);(231.985393,0.00036871);(232.507615,0.00023831);(232.94625,0.36536968);(232.96238,0.07861855);(232.982141,0.00316831);(233.000461,0.02802255);(233.948629,0.00285052);(233.965064,0.00019561);(234.001365,0.0013451);(234.941484,0.03239649);(234.959876,0.01751127);(234.97862,0.00221758);(234.990171,0.00015162);(234.997965,0.00107792);(236.939212,0.00479739);(236.951748,0.00037137);(240.231824,0.00025884);(241.278377,0.00045479);(244.982553,0.00545566);(246.961888,0.00080296);(248.977502,0.2887798);(249.979897,0.00861296);(250.95687,0.16010688);(250.972671,0.02535469);(251.12184,0.0003247);(251.959556,0.00127507);(251.975427,0.00106782);(252.95251,0.01147111);(252.969543,0.00194815);(254.949409,0.00040711);(258.279176,0.0003053);(259.115324,0.00046975);(259.15154,0.0002428);(261.130855,0.05618211);(262.134173,0.00411437);(262.993985,0.00027579);(266.043885,0.00040207);(270.975955,0.00106259);(273.167307,0.00964145);(276.061704,0.00043194)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.163776,0.00037666);(50.662711,0.00034782);(50.767787,0.00037313);(50.885143,0.00033709);(51.195825,0.00033691);(51.513547,0.00036483);(51.761843,0.00039297);(52.270147,0.00034999);(52.35367,0.00034874);(52.684694,0.00036723);(52.940597,0.00042168);(53.509739,0.00030933);(53.671076,0.00032779);(53.864413,0.00039252);(54.8736,0.00037329);(55.106741,0.00036468);(55.216017,0.00041726);(55.452771,0.00037963);(55.628527,0.00035406);(56.028977,0.00044419);(56.090209,0.00030114);(56.888537,0.00036468);(57.069989,0.00032145);(57.174544,0.00030391);(57.566512,0.00037926);(57.69124,0.00037012);(57.718819,0.00039803);(57.967857,0.00040998);(57.974305,0.00273146);(57.983633,0.00034797);(57.987152,0.00027853);(58.026348,0.0003093);(58.787895,0.00028015);(59.012516,0.08254027);(59.174294,0.000465);(59.473379,0.00028532);(59.997232,0.00034844);(60.476133,0.0003205);(60.48018,0.00039479);(60.496314,0.00035153);(60.590385,0.00036346);(60.747874,0.00039352);(61.131482,0.00029587);(61.18804,0.00032519);(61.321343,0.00056295);(61.719282,0.00036859);(61.987044,0.06920599);(62.227319,0.00042205);(62.53021,0.00078464);(63.022696,0.06530815);(63.36282,0.00039895);(63.558264,0.00033816);(63.694729,0.00038803);(63.862948,0.00045151);(63.96108,0.00627757);(64.026114,0.00066238);(64.034221,0.00039269);(64.288201,0.00040713);(64.534328,0.00034861);(64.838697,0.00044126);(64.95118,0.00142495);(65.001971,0.12243924);(65.240592,0.000385);(65.290125,0.00039729);(65.360505,0.00029696);(65.778114,0.00028173);(65.911092,0.00040869);(65.996926,0.000306);(66.432254,0.00033586);(66.787817,0.00037093);(67.156153,0.00038252);(68.248724,0.00037664);(68.380063,0.00042081);(68.670233,0.00038316);(68.814331,0.00040499);(69.406386,0.00039429);(69.817584,0.00030376);(70.550253,0.00032586);(71.062978,0.00038997);(71.195946,0.00039513);(72.63345,0.00037878);(73.114314,0.00029747);(73.434679,0.00030347);(73.492097,0.00044756);(73.881328,0.00037307);(74.06169,0.00046329);(74.639914,0.00031684);(74.790696,0.00040489);(74.989619,0.00227615);(75.023124,0.0003887);(76.271144,0.00031665);(76.411939,0.00034916);(76.578987,0.00036961);(76.587611,0.00037128);(76.741198,0.00040746);(76.870972,0.00040792);(76.951199,0.00076238);(76.976967,0.0003476);(77.197655,0.00039952);(77.564827,0.00040575);(78.202464,0.00048981);(78.662044,0.00032005);(78.95762,0.00037085);(78.966782,0.00040107);(78.984584,0.01854113);(79.956041,0.10413568);(80.77239,0.00036731);(80.96386,0.02963317);(80.994833,0.00034806);(81.351914,0.00036432);(81.76273,0.00041283);(81.782918,0.0003547);(81.951958,0.00215988);(82.624886,0.00031154);(83.012556,0.10445225);(84.918005,0.00034379);(85.614247,0.00035473);(86.79629,0.00031215);(87.201347,0.00038775);(87.617409,0.00033028);(88.554924,0.00032651);(89.169767,0.00031962);(89.576745,0.00040949);(89.833256,0.00038313);(90.825309,0.00040729);(90.984722,0.00043815);(91.021107,0.00036277);(91.153795,0.00042819);(93.033344,0.13516584);(93.490656,0.00038627);(94.03663,0.00185061);(94.796052,0.00035966);(94.979616,0.09214841);(95.095021,0.00036337);(95.452689,0.00036375);(95.507203,0.00035712);(95.828013,0.00033487);(95.933118,0.00052376);(95.951228,0.00038877);(96.958866,1.0);(96.975913,0.00041614);(97.66027,0.00040189);(97.881182,0.0003585);(97.958188,0.00180058);(98.211641,0.00032735);(98.761135,0.00035129);(98.95462,0.03966182);(98.963001,0.00148041);(99.954303,0.00030489);(100.285077,0.00037202);(100.84213,0.0003827);(101.480692,0.00039802);(105.833433,0.00030346);(107.012618,0.30475526);(107.017176,0.00041575);(108.015965,0.01315607);(108.492805,0.000414);(108.701024,0.00035375);(109.057903,0.0004194);(110.530994,0.00033389);(110.841656,0.0003592);(110.956775,0.06394137);(110.974516,0.00273117);(113.772455,0.00036892);(114.523553,0.00034559);(115.513661,0.00038436);(118.771819,0.00032432);(118.979407,0.00062027);(119.049015,0.74670023);(120.052385,0.06150474);(121.02832,0.00350637);(121.964862,0.00038795);(122.022758,0.0003134);(123.367243,0.00041826);(123.853552,0.00037807);(123.867216,0.000337);(124.774995,0.00041085);(125.023164,0.00979067);(125.68027,0.00032203);(126.02579,0.00038879);(127.121399,0.00039874);(129.196865,0.00042936);(129.309402,0.00041786);(130.942574,0.01487491);(131.20976,0.0003926);(132.056808,0.00042579);(133.028436,0.00412816);(134.310894,0.00038607);(134.317979,0.00038945);(135.043978,0.01052343);(135.380935,0.00049148);(136.939406,0.00042762);(136.986997,0.00172913);(137.820195,0.00030854);(137.925276,0.00047334);(138.492637,0.00040106);(138.662604,0.00043672);(139.003267,0.00038341);(140.708222,0.00039091);(141.180031,0.00046699);(141.268948,0.00039998);(142.0393,0.00037872);(142.747038,0.0003231);(143.049113,0.00273182);(144.524226,0.00037482);(145.028418,0.00951531);(147.945364,0.00220832);(148.565068,0.00044912);(149.255289,0.00036363);(149.642409,0.00038316);(150.414381,0.0003976);(151.002653,0.75253475);(152.005946,0.05786444);(152.916637,0.06369179);(153.007469,0.00135968);(153.264092,0.00040501);(153.933032,0.00043518);(154.912405,0.00039698);(154.965546,0.00041397);(156.860288,0.00042764);(159.50928,0.00040793);(160.841198,0.00554606);(161.023852,0.00038356);(161.059886,0.00697308);(162.838345,0.00627342);(164.835386,0.00051843);(164.982143,0.00493241);(165.01854,0.03728853);(165.956113,0.00333126);(166.317074,0.00035463);(166.909355,0.00044055);(167.903839,0.00227657);(168.889149,0.00086151);(169.013424,0.01154468);(170.889572,0.00659412);(171.88745,0.00889542);(172.884972,0.00141003);(172.953094,0.0018816);(176.908619,0.00043731);(176.993228,0.00338166);(177.018525,0.09185272);(178.021997,0.00166295);(179.396158,0.00039615);(180.712954,0.00043395);(183.011528,0.00405729);(184.001049,0.09698896);(184.019421,0.00042723);(184.50287,0.01531512);(184.999018,0.00253618);(185.060015,0.01288021);(185.891303,0.00056966);(186.171934,0.00036655);(186.964063,0.00041863);(187.039497,0.01985652);(187.087771,0.00051015);(187.62736,0.00045913);(189.737035,0.00032577);(191.008625,0.00041007);(191.247337,0.00039528);(194.875287,0.00042472);(194.927519,0.02789518);(194.993504,0.00042574);(197.316045,0.00052044);(197.902143,0.01600316);(198.034002,0.00042522);(199.876228,0.00240653);(202.346532,0.00040403);(203.003367,0.00031503);(205.85896,0.00049194);(206.487471,0.00040784);(207.011766,0.00815404);(207.857589,0.00046447);(210.901475,0.00037738);(211.229013,0.00040882);(212.532173,0.00054551);(214.899733,0.00049364);(214.917165,0.00037614);(216.925507,0.00038241);(216.94049,0.00541501);(216.951643,0.00281938);(216.958629,0.00438435);(216.965247,0.00424265);(216.974237,0.00700374);(216.989205,0.00403851);(216.993956,0.00406979);(217.002007,0.0013089);(220.74566,0.00044471);(220.853418,0.00031671);(222.34306,0.00039629);(222.643152,0.00043711);(222.850631,0.00042518);(227.070919,0.00632464);(229.050439,0.00140939);(230.894704,0.02988258);(232.874138,0.0691274);(234.38673,0.0003043);(234.869749,0.00045138);(237.149979,0.00040553);(237.222144,0.0008692);(241.654794,0.00041262);(242.68623,0.00040002);(243.870321,0.00041858);(245.400616,0.00031696);(249.151007,0.00040599);(249.821142,0.0003795);(250.885073,0.00217958);(254.856138,0.00827487);(255.233044,0.17079335);(256.236411,0.02915113);(258.24733,0.00034953);(258.27109,0.00052269);(262.407566,0.00043606);(264.266129,0.00037981);(264.570777,0.00036139);(265.148062,0.13748289);(266.151439,0.01477629);(267.143857,0.00053777);(268.240865,0.00033359);(269.122343,0.0008171);(269.248197,0.00118782);(271.046193,0.00040503);(271.061295,0.05677296);(272.064641,0.00349706);(272.673013,0.00037296);(272.828962,0.00174504);(275.168855,0.01253035)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.40866,0.00026874);(50.805189,0.00023311);(50.887713,0.00030365);(51.126611,0.0003277);(51.33124,0.00025988);(51.334756,0.00030254);(51.788808,0.00022622);(51.88409,0.00025624);(52.456508,0.00027461);(53.630794,0.00025577);(54.708247,0.00036326);(55.078562,0.00025865);(55.477157,0.00025881);(55.567101,0.00030436);(55.903766,0.0002285);(55.95904,0.00027161);(56.176476,0.00023935);(57.033237,0.0002408);(57.243804,0.00024968);(57.458545,0.00027506);(57.63367,0.00029082);(57.681431,0.00032124);(57.886808,0.00026393);(57.974369,0.00167226);(58.300403,0.0002162);(58.74431,0.00027227);(58.842485,0.00025581);(58.976624,0.00027468);(58.994764,0.0002584);(59.012518,0.06382017);(59.391967,0.00021765);(60.173964,0.00029391);(61.213754,0.00022714);(61.987039,0.05549002);(62.17879,0.00027627);(62.63602,0.00029859);(63.022702,0.14527552);(63.805431,0.00023067);(63.943227,0.00030889);(63.961157,0.01918618);(63.962829,0.00023383);(63.968925,0.00035364);(64.026048,0.00289926);(64.132945,0.00025921);(64.600298,0.00028506);(64.712284,0.00027872);(64.95119,0.00217068);(65.001976,0.27356449);(65.709808,0.00028971);(65.890863,0.00022565);(66.005334,0.00606223);(66.538811,0.00023681);(66.556092,0.00028315);(66.614077,0.00025975);(67.310161,0.00026649);(67.810398,0.00031161);(68.346029,0.00033872);(68.430357,0.0002708);(68.639044,0.0002404);(68.996848,0.00668451);(69.27673,0.00023483);(69.808594,0.00022444);(70.860554,0.00023118);(72.553312,0.00025722);(72.925944,0.00030802);(72.926679,0.0002575);(72.927587,0.00032489);(73.222142,0.00027254);(74.136255,0.00030456);(74.989724,0.00125615);(75.178372,0.00020224);(75.336054,0.00028536);(75.838877,0.00032012);(76.951188,0.00175401);(78.300353,0.00027482);(78.480768,0.00033504);(78.769993,0.00029341);(78.909024,0.0002994);(78.957619,0.00075334);(78.967154,0.00029137);(78.984632,0.00818845);(79.05902,0.00023666);(79.694554,0.00027201);(79.741652,0.0002647);(79.956064,0.19342181);(80.540926,0.00026622);(80.961556,0.00028744);(80.963901,0.02873995);(81.033185,0.00025839);(81.951867,0.00399547);(82.107857,0.00023996);(82.327226,0.00029911);(82.693861,0.00027612);(82.855959,0.00028445);(83.012556,0.1236916);(83.854067,0.00026238);(84.016009,0.0009734);(84.137603,0.00027156);(84.520775,0.00026502);(84.78029,0.00023927);(85.969002,0.00031284);(86.089427,0.0003082);(86.317723,0.00022056);(86.945825,0.00021093);(87.804729,0.00025871);(88.026201,0.00027182);(88.344051,0.00028175);(88.505288,0.00029085);(88.908573,0.00026051);(90.115686,0.00025151);(90.180549,0.00029297);(90.257391,0.00034883);(90.931952,0.00031525);(91.018354,0.00023514);(91.456203,0.0002847);(92.143042,0.0002777);(93.033336,0.07238558);(93.945487,0.00029928);(93.971797,0.00027613);(94.921389,0.00025469);(94.979594,0.07480377);(95.012548,0.00060007);(95.933267,0.00886535);(95.95101,0.01002618);(96.940351,0.00031022);(96.958883,1.0);(96.975711,0.00146401);(96.99201,0.00028631);(97.786557,0.00029326);(97.958355,0.00221887);(98.954625,0.03877216);(98.963101,0.00203145);(99.924617,0.00029031);(101.296161,0.00022801);(102.849923,0.00026454);(102.944843,0.00028425);(103.64376,0.00023375);(103.911165,0.00027234);(103.918934,0.00291506);(105.276134,0.00030599);(106.968064,0.00029451);(107.012641,0.18306822);(107.925052,0.00029377);(108.016102,0.00882475);(108.020329,0.0060107);(109.028414,0.00199365);(109.076829,0.00031653);(110.685281,0.00024631);(110.752255,0.00028707);(110.956822,0.04096158);(110.974527,0.00323018);(111.053238,0.00034456);(112.784026,0.00025455);(112.952629,0.00103953);(114.676483,0.00032706);(116.927356,0.00033023);(117.033402,0.00687709);(118.940947,0.00316948);(118.979746,0.00036601);(119.049048,0.65972519);(119.987471,0.00185757);(120.052417,0.05537529);(120.66844,0.0002583);(120.760018,0.00026072);(121.028407,0.0067966);(121.769826,0.0002582);(121.963689,0.00025058);(122.081421,0.00022781);(124.312574,0.00026033);(125.02337,0.00093022);(127.881064,0.00041065);(127.99386,0.00024562);(128.475743,0.000217);(129.035958,0.00029825);(130.942561,0.00546749);(132.381131,0.00022613);(133.023279,0.00036386);(133.028399,0.02871006);(134.482388,0.00031598);(135.044084,0.00920119);(135.744573,0.0003043);(135.869317,0.00027614);(136.015647,0.00030273);(136.136555,0.00029172);(136.398723,0.00025757);(136.938942,0.00148074);(137.023308,0.00183583);(138.112418,0.00029492);(138.652427,0.00035153);(139.298301,0.00029763);(141.92533,0.00035438);(143.049274,0.02132603);(144.052723,0.00026299);(144.184573,0.00024611);(145.028469,0.01040418);(145.967031,0.0003207);(147.945554,0.00072965);(148.616478,0.00030534);(149.023381,0.00026918);(149.998778,0.00026593);(151.002656,0.09966559);(151.041431,0.00031596);(152.006225,0.0014472);(152.916585,0.09858683);(154.48625,0.00031233);(154.912533,0.00119357);(154.943775,0.00028039);(156.528848,0.00025149);(157.065311,0.00028443);(157.7585,0.00032387);(160.841382,0.00131539);(161.059943,0.01244398);(162.83841,0.00109973);(163.47287,0.00026572);(164.483991,0.00027137);(165.018659,0.0048995);(165.739793,0.00029786);(166.903139,0.00031104);(166.90982,0.00186728);(166.95242,0.00035516);(167.332809,0.00028297);(167.415835,0.00024885);(167.729133,0.0002848);(167.903826,0.01831293);(167.945091,0.00030969);(168.593613,0.00028887);(169.881893,0.00033068);(170.889585,0.00255852);(171.887427,0.00348486);(171.982819,0.00074687);(172.885218,0.00035533);(173.685656,0.00027572);(174.222917,0.00029345);(174.934064,0.00031679);(175.039378,0.00029339);(175.826439,0.00029002);(176.992687,0.00031004);(177.018729,0.01586973);(177.30158,0.00025902);(179.772306,0.00024586);(179.882427,0.00033618);(183.011679,0.02119046);(183.460693,0.00028858);(183.898051,0.00034994);(184.001239,0.01750565);(184.503049,0.00040571);(185.049578,0.00036133);(185.060373,0.00311787);(185.892661,0.00059548);(187.03954,0.02971141);(188.042985,0.00035005);(188.881349,0.00028831);(190.099269,0.00023165);(193.233275,0.00029222);(194.283439,0.00032379);(194.927672,0.00208901);(195.080102,0.00033528);(195.582066,0.00031504);(197.027534,0.00344011);(197.717663,0.00033763);(197.90219,0.00153003);(199.23164,0.00031259);(199.876558,0.00312815);(201.019485,0.00035375);(205.433557,0.00029532);(206.140792,0.00026966);(207.011801,0.00210617);(211.112427,0.00034875);(212.184741,0.0003134);(214.603276,0.00027158);(215.871227,0.00405388);(220.461852,0.0010046);(220.490728,0.00123531);(220.502809,0.00121669);(220.523551,0.00174154);(220.538101,0.00091808);(220.89415,0.0002384);(221.265115,0.0003188);(227.228145,0.00033843);(229.221937,0.00034728);(230.89508,0.00468441);(232.874205,0.00900402);(234.469225,0.00029902);(235.13568,0.00028752);(235.420874,0.00027305);(235.591562,0.00029298);(235.770959,0.00027127);(236.511678,0.00029919);(241.477388,0.00029663);(245.183336,0.00039521);(247.131058,0.00032206);(250.703079,0.00027983);(251.046485,0.00034486);(251.482781,0.00027763);(254.856482,0.00163232);(255.343811,0.00031664);(256.348387,0.00025262);(258.559082,0.0002673);(261.332508,0.00028062);(262.888021,0.00031838);(262.992516,0.00028005);(267.079606,0.00031736);(270.246794,0.00024684);(270.775451,0.00026946);(271.595349,0.00025553)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.515096,0.00059746);(50.799095,0.00049672);(52.666881,0.00053546);(53.049945,0.0003846);(53.185605,0.00059279);(53.190689,0.00043345);(54.066734,0.00062924);(54.149898,0.00064682);(54.626876,0.00063328);(55.097512,0.00036483);(55.289042,0.00041196);(55.359547,0.0005069);(55.609002,0.00041547);(56.097806,0.0006334);(56.965569,0.13124343);(56.966951,0.0029243);(57.070709,0.00323908);(58.065847,0.00266775);(58.260014,0.00057284);(59.44139,0.00027168);(59.70337,0.0002959);(60.081622,0.00067962);(60.114677,0.00037148);(60.41383,0.00063155);(60.958381,0.00048944);(61.011416,0.61647475);(61.656072,0.00043589);(61.949989,0.00050215);(62.010868,0.00150963);(62.014743,0.00614848);(62.019211,0.02759816);(62.166031,0.00043481);(62.495237,0.000405);(62.655285,0.00077275);(62.789404,0.0008065);(63.007167,0.02629584);(63.067893,0.00042824);(63.92782,0.00066105);(63.992286,0.00056441);(65.205946,0.00068574);(65.555174,0.00038966);(65.759059,0.00042183);(65.784054,0.00040562);(66.168442,0.00042962);(66.395593,0.00064148);(66.457257,0.00041606);(67.538417,0.00041302);(67.790612,0.00066028);(67.870135,0.00059553);(68.276068,0.0007399);(68.663251,0.00046754);(68.818123,0.00049976);(68.939191,0.00084278);(69.651027,0.00038868);(70.261408,0.00067955);(70.95862,0.00542086);(70.981214,0.0004767);(71.086142,0.00081837);(71.952618,0.00130569);(72.788603,0.00040738);(72.93785,0.00168344);(73.634431,0.00045332);(73.676469,0.00055175);(74.791845,0.00070368);(74.93167,0.00103899);(74.976036,0.01200807);(75.682169,0.00076032);(75.787431,0.00046893);(76.27919,0.00036266);(77.073138,0.00058066);(78.013993,0.00433763);(79.021874,0.04210241);(79.476206,0.00035203);(80.364321,0.00064326);(80.389005,0.00065066);(80.655244,0.00079047);(81.062227,0.00070856);(81.39885,0.00036376);(81.790094,0.00045302);(82.678727,0.00037394);(82.727954,0.0005154);(82.817026,0.0003474);(84.227229,0.00034023);(84.522205,0.00037885);(84.619078,0.00039428);(84.974165,0.00040953);(85.076511,0.00041332);(85.081964,0.00039062);(85.711103,0.00063287);(86.458517,0.00053493);(86.789815,0.00063417);(86.975929,0.00350111);(88.07626,0.000284);(88.937263,0.00041107);(89.060304,0.0013266);(90.948302,0.00086301);(91.015833,0.00067119);(93.087975,0.00058569);(93.124155,0.00044497);(93.321732,0.00030505);(93.475989,0.00059831);(93.902388,0.00062243);(94.024764,0.00047815);(94.854905,0.00037909);(95.081395,0.00043433);(95.256119,0.00054341);(95.37707,0.00060002);(95.396578,0.00037046);(95.435195,0.00038073);(95.913433,0.00052602);(97.366109,0.00067745);(97.926769,0.00071874);(98.701195,0.00041301);(98.975869,1.0);(99.022435,0.00031008);(99.111602,0.00068775);(99.831858,0.0005019);(99.833563,0.00042936);(99.979182,0.01847363);(100.786634,0.00057513);(100.971961,0.00217451);(100.98012,0.00109367);(101.950319,0.18766967);(102.601382,0.00032741);(102.952607,0.00085074);(102.968714,0.0153578);(103.522823,0.00076675);(103.584378,0.00026034);(103.749194,0.00073213);(103.924305,0.00083999);(104.016961,0.00043793);(104.930856,0.00406239);(105.917559,0.00096134);(105.943119,0.00060912);(106.777564,0.0002652);(110.11595,0.00039683);(110.452102,0.00035732);(111.675282,0.00035834);(112.562895,0.0007083);(112.639835,0.00052853);(113.403159,0.00059192);(114.740438,0.00039199);(116.005519,0.00409997);(116.968319,0.00029577);(116.986193,0.51630912);(117.424282,0.00049407);(117.989404,0.006238);(118.624299,0.00052071);(118.947699,0.10550052);(118.982208,0.00080628);(119.001559,0.00069263);(119.170595,0.00039002);(119.956256,0.00051346);(119.960701,0.05631593);(120.979162,0.00473134);(122.279125,0.00054815);(122.941067,0.04486531);(123.034855,0.00035104);(123.939054,0.00488189);(124.936557,0.01277771);(126.363787,0.00041105);(126.697722,0.0004095);(127.604657,0.00039611);(127.620611,0.00059783);(127.646324,0.00046878);(129.802856,0.00068464);(130.985823,0.00056679);(131.001763,0.00652291);(131.412142,0.00055142);(131.79941,0.00047457);(132.958333,0.01901327);(133.37597,0.00060478);(133.524015,0.00040602);(133.948315,0.00257958);(134.521366,0.00048341);(134.919896,0.00171738);(134.942456,0.07696691);(134.957272,0.00100983);(134.978804,0.64456899);(134.996549,0.11561216);(135.927728,0.00206932);(135.956225,0.00095877);(135.966699,0.002468);(135.982396,0.00449268);(136.859124,0.0007364);(136.920737,0.00553751);(136.958028,0.11093157);(136.974593,0.03082701);(137.011784,0.02789032);(137.928063,0.00249625);(137.970985,0.01013552);(138.936227,0.00049288);(138.95248,0.00221278);(138.971533,0.00548193);(139.009407,0.00075293);(139.978008,0.00075269);(140.95162,0.00088753);(141.900438,0.000735);(142.435833,0.00043882);(146.956918,0.00052289);(146.976446,0.01655267);(147.974667,0.00075664);(148.971898,0.3417256);(148.978659,0.00580148);(149.965861,0.00291783);(149.972921,0.002364);(150.951089,0.02161099);(150.967957,0.01452575);(150.972859,0.01181764);(151.94375,0.00788901);(151.959209,0.00056433);(151.97007,0.11759304);(151.999101,0.00214597);(152.360909,0.00073313);(152.648835,0.00057537);(152.952521,0.28696483);(152.968017,0.02185491);(152.989292,0.31839816);(153.007078,0.00571425);(153.939,0.00071354);(153.952175,0.00079355);(153.959555,0.10987266);(153.966548,0.01009099);(153.99295,0.00091292);(154.325402,0.00074557);(154.932034,0.01136058);(154.941245,0.00047986);(154.947228,0.04536308);(154.957282,0.00716297);(154.968762,0.03854618);(154.977713,0.00317545);(154.985115,0.01421971);(155.022232,0.00734259);(155.890518,0.00129167);(155.954724,0.04437212);(156.945153,0.00257604);(156.974966,0.00042063);(156.982253,0.00285447);(157.952089,0.00089216);(157.97675,0.00067748);(158.226679,0.00051658);(158.952976,0.00068524);(160.260362,0.00050754);(160.803542,0.00080464);(161.200998,0.00041913);(162.951365,0.00156858);(162.965959,0.06016157);(164.951797,0.00938769);(165.938472,0.00312653);(165.950472,0.00065388);(166.94694,0.00069575);(166.982443,0.05581121);(167.455629,0.00037295);(167.976216,0.00079872);(168.048202,0.00065437);(168.93602,0.00039814);(168.962217,0.0017205);(168.982916,0.05097447);(169.980717,0.01865929);(170.009354,0.00030359);(170.914531,0.00409538);(170.963415,0.41598751);(170.977841,0.01701762);(170.999809,0.02445814);(171.916063,0.00065688);(171.971343,0.04467093);(172.942711,0.01492695);(172.95882,0.02328131);(172.968244,0.00363675);(172.988601,0.00442394);(173.598707,0.00071347);(173.901128,0.00181016);(173.968409,0.0006185);(174.672488,0.00062319);(174.956248,0.00614749);(176.450422,0.00152227);(176.989316,0.08735207);(177.938136,0.01378234);(178.530605,0.00047758);(178.986098,0.00090265);(179.681067,0.00039552);(179.955403,0.00089931);(179.963976,0.01696274);(180.961901,0.00236726);(180.976307,0.00087576);(181.185852,0.00049885);(182.951142,0.00144811);(182.962176,0.01367408);(183.961922,0.0124752);(184.660904,0.00053402);(184.978748,0.00374234);(185.456134,0.01338654);(185.949389,0.00712912);(185.964078,0.00134399);(186.928732,0.00046482);(186.947223,0.00630249);(187.944232,0.0017039);(188.924906,0.023702);(188.974105,0.17497993);(189.926367,0.00642379);(190.953268,0.00065004);(190.969083,0.00397373);(191.013587,0.00043098);(191.922768,0.00150901);(192.961216,0.13689466);(193.964638,0.00579603);(194.461267,0.00361343);(194.962529,0.04018908);(194.999964,0.09022784);(195.009092,0.00099013);(195.782609,0.00062602);(195.949119,0.01582444);(195.960195,0.03145873);(196.004099,0.00090202);(196.961136,0.02102713);(197.015173,0.03820594);(197.974495,0.05388471);(198.016205,0.00163392);(198.947218,0.00088658);(198.955858,0.00050264);(198.99355,0.00209254);(199.012071,0.00544922);(199.948308,0.00167127);(200.974227,0.00078489);(201.972882,0.01053267);(202.989293,0.00048199);(204.478259,0.00081702);(206.251801,0.00047795);(206.977477,0.0037692);(208.977146,0.00110584);(210.186081,0.00047159);(210.972177,0.08846821);(212.956444,0.04075286);(212.972864,0.05856058);(212.992543,0.03768225);(213.010862,0.00350031);(213.959059,0.00070964);(213.970297,0.04338421);(214.935712,0.00552935);(214.953258,0.00041208);(214.969812,0.03275779);(214.989326,0.03257111);(215.025823,0.00774925);(215.943939,0.00290038);(215.965189,0.00070246);(215.985044,0.00362545);(216.966765,0.00152843);(216.985921,0.00458118);(216.996689,0.00521906);(217.012408,0.0082057);(217.019835,0.00799999);(219.174093,0.0034294);(223.148253,0.00042588);(227.785628,0.00043592);(230.966896,0.28856976);(230.979499,0.00454766);(231.002876,0.00039254);(231.969423,0.00552994);(232.946112,0.08866722);(232.962354,0.02400357);(233.000006,0.01310624);(233.818956,0.00064012);(234.942353,0.00231209);(234.960058,0.00248955);(234.997932,0.00042612);(235.945295,0.00062835);(248.965444,0.00052628);(248.977375,0.1022864);(249.979947,0.00123039);(250.956861,0.03872921);(250.971922,0.00522758);(251.541847,0.00053846);(252.719,0.00036195);(253.191873,0.00054629);(257.765247,0.0002985);(260.325431,0.00048103);(261.108431,0.00067199);(261.131078,0.00377988);(265.023282,0.00064102);(273.702707,0.00063477)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.284562,0.00061906);(51.056084,0.00038669);(51.760391,0.00046107);(52.03765,0.00064587);(52.374221,0.00026908);(53.425297,0.00050941);(53.477086,0.00042926);(53.571754,0.00023306);(54.081879,0.00036328);(54.891057,0.0003837);(55.055016,0.00033356);(55.719997,0.00064991);(55.935165,0.00713386);(56.508637,0.00047754);(56.520708,0.00066201);(56.692457,0.0006815);(56.965577,0.647081);(56.967211,0.00906184);(57.070673,0.00330876);(57.33421,0.0002609);(57.89586,0.0004466);(57.935575,0.02985469);(58.065915,0.00578023);(58.452473,0.00027328);(58.933397,0.00038404);(58.998544,0.0003746);(59.067701,0.00066711);(59.211343,0.00045027);(59.213412,0.00040948);(59.26817,0.00088763);(59.905263,0.00037398);(59.930984,0.01057432);(60.081431,0.00035873);(60.102097,0.00056931);(60.224427,0.00056003);(60.288232,0.00063433);(60.958445,0.00692469);(61.011429,0.3903602);(61.013215,0.00437158);(61.877519,0.00039945);(62.014832,0.00214078);(62.019239,0.04639431);(62.020729,0.00066677);(62.167377,0.0005382);(62.171535,0.00026255);(63.007208,0.01703774);(63.027093,0.00743816);(63.998509,0.00069435);(64.097386,0.0003946);(64.613592,0.00072864);(65.086529,0.00047618);(66.577838,0.00066063);(66.929536,0.00042583);(67.36859,0.00041291);(68.726862,0.0007408);(69.070518,0.00041194);(69.832068,0.00058154);(70.061306,0.00025866);(70.06588,0.00050145);(70.958584,0.10574105);(70.981147,0.00958013);(71.01518,0.00073039);(71.126333,0.0003869);(71.574578,0.00039743);(71.614578,0.00038889);(71.929978,0.00086122);(71.952611,0.04557184);(72.037421,0.00046631);(72.61554,0.00036971);(72.937833,0.03901148);(72.958969,0.00180462);(73.069119,0.00042186);(73.706709,0.0006356);(73.956816,0.02699416);(74.191885,0.00055);(74.553443,0.00036233);(74.931554,0.01005699);(74.976041,0.02322512);(75.946047,0.02805966);(76.288088,0.00059053);(76.403807,0.00054456);(76.667424,0.00057325);(76.693704,0.00040795);(76.720171,0.00067406);(77.941472,0.00502668);(78.013988,0.00167045);(78.316725,0.00068994);(78.931328,0.00045875);(79.02186,0.03127014);(79.446053,0.00070724);(79.449221,0.00071435);(81.038495,0.00024694);(81.340872,0.00038605);(81.640003,0.00067143);(81.965415,0.00040165);(82.523106,0.00062654);(82.587834,0.00060499);(83.14492,0.00054905);(83.280257,0.00062771);(83.434183,0.0004734);(86.004105,0.00027095);(86.312311,0.00047575);(86.975901,0.00985982);(87.518397,0.00042913);(87.907044,0.003579);(88.076173,0.00042981);(88.275596,0.00066596);(88.915089,0.00076997);(88.937406,0.02244897);(88.968951,0.01384445);(88.991436,0.00090571);(89.363799,0.00053311);(89.940553,0.00069278);(89.963045,0.00255863);(90.915181,0.00076078);(90.948253,0.02436456);(91.023752,0.00025332);(91.322434,0.00072024);(91.789721,0.00045113);(91.966978,0.00113884);(92.900796,0.00274832);(93.956439,0.00756318);(95.20122,0.00058268);(95.214233,0.00038396);(95.515729,0.00034299);(95.951816,0.00140972);(98.975829,1.0);(99.106937,0.00055779);(99.537963,0.00062203);(99.594466,0.00054301);(99.979237,0.01960089);(100.2531,0.00043549);(100.937508,0.00078834);(100.971789,0.00366061);(100.980145,0.00168247);(101.510964,0.00035464);(101.950339,0.24353254);(102.915178,0.00209171);(102.930417,0.00075389);(102.948193,0.00060893);(102.968714,0.01827267);(103.924394,0.03829744);(104.93074,0.01307365);(104.963836,0.00085553);(105.531893,0.00067805);(105.643011,0.00030756);(105.917354,0.00787659);(105.928317,0.000573);(106.925947,0.00389901);(107.725292,0.00040647);(107.747015,0.00045439);(108.030899,0.00068134);(108.198685,0.00039983);(108.4939,0.00070307);(108.95864,0.00075175);(109.481894,0.00035512);(110.501,0.00066586);(111.932901,0.00065957);(114.160494,0.00026652);(114.201163,0.00070219);(114.32505,0.00059593);(114.383012,0.00044052);(114.812699,0.0003732);(115.886208,0.0005774);(116.910867,0.00052942);(116.986243,0.5557016);(117.917029,0.00168166);(117.93338,0.00035501);(117.989577,0.00726754);(118.173191,0.00062594);(118.606782,0.0004136);(118.925177,0.00679673);(118.947722,0.11192588);(118.982341,0.00068052);(119.00161,0.00166422);(119.689873,0.00056203);(119.91898,0.00099112);(119.960681,0.0770141);(120.925404,0.0006654);(120.940748,0.01535102);(120.979278,0.00544593);(121.968715,0.00170982);(122.006455,0.00044344);(122.931366,0.00148833);(122.94114,0.06364073);(123.478583,0.00064679);(123.927948,0.00054934);(123.939035,0.00962581);(123.959254,0.00168651);(124.936628,0.02338828);(124.946677,0.00069436);(125.008757,0.00063193);(125.050161,0.0005724);(126.652604,0.00070857);(126.934181,0.00040268);(128.391568,0.00069989);(129.06978,0.00039816);(129.859332,0.00051726);(130.974048,0.0009042);(131.001854,0.00351115);(131.17192,0.00052626);(131.591841,0.00040587);(131.711782,0.00065921);(131.961666,0.00104452);(132.046808,0.00050389);(132.888964,0.00075289);(132.958449,0.09256884);(132.964354,0.0217311);(133.948515,0.02230915);(133.999385,0.00047183);(134.92,0.00601274);(134.942482,0.08619213);(134.957574,0.00822261);(134.978867,0.45915587);(134.996591,0.13671533);(135.927611,0.00299723);(135.949773,0.00114346);(135.956732,0.01970889);(135.966605,0.00546339);(135.98243,0.00300378);(136.893397,0.00049695);(136.92078,0.00739278);(136.930794,0.00088123);(136.936368,0.00113808);(136.958175,0.11663281);(136.974722,0.02457723);(137.0118,0.04868982);(137.928153,0.04244728);(137.971046,0.02441649);(138.012572,0.00162245);(138.817438,0.00042094);(138.915879,0.00059374);(138.925954,0.00238138);(138.935794,0.00472241);(138.951549,0.00401342);(138.971538,0.00258706);(139.009244,0.00248247);(139.394688,0.00052567);(139.923615,0.012902);(140.951587,0.00047374);(141.45754,0.00064226);(141.969762,0.03223561);(142.96771,0.00079982);(144.123763,0.00045227);(146.449018,0.00241477);(146.871574,0.00054444);(146.9761,0.01073725);(147.545962,0.00072016);(147.975529,0.00051547);(148.97196,0.23674188);(149.961132,0.0051385);(149.972095,0.00528146);(150.951108,0.00719501);(150.968729,0.07996202);(151.959089,0.01212536);(151.970102,0.05086752);(151.998882,0.0105904);(152.952787,0.32700569);(152.968827,0.03544584);(152.989313,0.24871361);(153.007004,0.00430546);(153.959547,0.26485572);(153.966949,0.03935881);(154.932099,0.0144212);(154.947641,0.02638055);(154.957489,0.0316217);(154.969053,0.0379778);(154.977972,0.00657274);(154.985422,0.01767995);(154.99267,0.00045893);(155.022325,0.01149806);(155.454346,0.01491601);(155.782001,0.00043401);(155.890686,0.00322303);(155.954801,0.10516243);(156.223388,0.00076107);(156.945976,0.0056592);(156.954493,0.00095499);(156.974904,0.00114588);(156.982329,0.00112859);(157.952125,0.00983331);(159.339244,0.00064628);(161.947726,0.00058934);(162.966128,0.05344979);(163.963823,0.0009544);(164.305766,0.00042284);(164.459734,0.03096003);(165.938358,0.00740947);(166.982438,0.03918092);(167.974297,0.00126181);(167.983818,0.00071709);(168.93646,0.01175926);(168.983011,0.00295148);(169.885533,0.00036502);(169.980873,0.00816821);(170.009506,0.00047194);(170.963471,0.61929685);(170.980322,0.00066324);(170.99997,0.01488519);(171.963979,0.00078268);(171.971408,0.04019219);(172.942885,0.02333415);(172.959376,0.03326459);(172.96754,0.00604199);(172.988403,0.00373669);(172.996348,0.00414539);(173.800247,0.00077434);(173.901415,0.01400142);(174.441998,0.00046906);(174.956526,0.01110171);(174.985551,0.00049033);(175.40351,0.00072303);(175.897763,0.00078643);(176.989318,0.00184707);(177.938256,0.02034141);(180.072424,0.00053609);(180.260598,0.00045157);(180.97567,0.00058872);(182.63329,0.0006475);(182.951406,0.0006897);(184.978932,0.00330255);(185.949405,0.03715441);(186.93844,0.00064258);(186.947158,0.04387355);(187.945043,0.01371034);(188.925079,0.00151284);(188.974138,0.28602);(190.95334,0.00446761);(190.969811,0.0079588);(190.979133,0.00048471);(192.96215,0.00084262);(193.151684,0.00027065);(195.607443,0.0006836);(195.94916,0.0201325);(197.015175,0.01142111);(197.973064,0.00087106);(198.947104,0.00270072);(199.965897,0.01146119);(200.840089,0.00056044);(206.98485,0.00071928);(207.70644,0.00035459);(210.078132,0.00026166);(210.971994,0.00040075);(211.360283,0.00058976);(212.957265,0.00047683);(213.147482,0.00042706);(213.935058,0.00064211);(214.989296,0.00293694);(217.976717,0.0167829);(220.577551,0.00119917);(220.595828,0.00187601);(220.613649,0.004051);(220.631258,0.00196956);(220.642822,0.00150033);(221.235192,0.00066848);(224.006278,0.00043935);(224.548662,0.00031106);(227.003146,0.00068314);(227.679351,0.00085069);(230.966827,0.01934948);(233.000589,0.00085853);(235.999246,0.00073553);(236.151492,0.0007148);(242.396701,0.00037967);(248.976265,0.00102416);(249.18407,0.0002668);(251.943931,0.00034123);(257.017785,0.0004644);(262.160228,0.00056273);(262.877704,0.00038642);(267.315489,0.00075642);(272.184652,0.00038571)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.397324,0.00006623);(50.836818,0.00008771);(50.871036,0.00009404);(51.114034,0.00008558);(51.558383,0.00009627);(51.690844,0.00009364);(52.295043,0.00011949);(52.333218,0.00008516);(52.52602,0.00008294);(52.555237,0.00009325);(52.888007,0.00007443);(53.302571,0.00007779);(53.346918,0.00008503);(53.477521,0.00010509);(53.505426,0.00008838);(53.994597,0.00010156);(54.106763,0.00007352);(54.213988,0.00007655);(54.331626,0.00008153);(54.433248,0.00008941);(54.776198,0.0000619);(55.054158,0.00008736);(55.204925,0.00008628);(55.772762,0.00007176);(55.774601,0.00006089);(55.916793,0.00009142);(55.979928,0.00010288);(57.298203,0.00008137);(57.710214,0.00009882);(60.763933,0.00010736);(61.986729,0.00010654);(62.264818,0.0000744);(62.469482,0.00007224);(63.022666,0.01867708);(63.0338,0.00010948);(63.062607,0.00009084);(63.301301,0.00008447);(63.878432,0.00008489);(64.757044,0.00007407);(65.001919,0.02938868);(65.275208,0.00007886);(65.300758,0.00009176);(65.377548,0.00009601);(65.381346,0.00009548);(66.005446,0.00010694);(66.466099,0.00009367);(66.753097,0.00009089);(67.583783,0.00008563);(68.087987,0.00010284);(68.351737,0.00011095);(68.536661,0.00008208);(69.144525,0.00010122);(70.374889,0.00009327);(70.484509,0.00008506);(70.840308,0.000142);(71.352681,0.00008983);(71.387357,0.00006724);(71.489258,0.00009651);(72.834511,0.00010513);(72.943123,0.0000947);(72.96384,0.0000892);(73.597885,0.00010353);(76.439553,0.00009254);(77.714234,0.00008776);(77.740964,0.00009685);(78.955168,0.00008684);(81.876775,0.00007714);(82.12009,0.00009645);(82.392059,0.00010537);(83.012517,0.03622391);(83.162265,0.00009277);(83.495155,0.00007602);(83.790895,0.00008085);(84.015892,0.00030343);(84.108401,0.00007845);(84.25039,0.00009237);(84.943989,0.00008742);(86.060782,0.00008459);(86.172315,0.00010761);(86.769814,0.00009712);(86.934119,0.00009346);(87.801362,0.0000869);(88.634737,0.00011993);(89.707328,0.00005872);(90.318415,0.00006283);(90.325781,0.00010066);(90.671051,0.00009371);(92.517903,0.00007676);(92.566543,0.00010401);(93.03331,0.13804864);(93.036556,0.0015897);(93.998701,0.0000947);(94.036646,0.0076243);(94.392011,0.00006709);(95.517003,0.00009139);(96.140197,0.0000714);(96.162296,0.000104);(96.409915,0.0000849);(96.78759,0.0000969);(97.006343,0.00008315);(99.200863,0.00011103);(100.718254,0.00010105);(101.776952,0.00009765);(104.596127,0.00007376);(105.014589,0.00012696);(106.210104,0.00006791);(106.371247,0.00010299);(107.012623,0.13125814);(107.934401,0.00010292);(107.941749,0.00011489);(108.015964,0.00761703);(108.043548,0.00012287);(108.748705,0.00009009);(109.302393,0.00009824);(110.054725,0.00011242);(110.130953,0.00006687);(110.304467,0.00010367);(111.578187,0.00007801);(111.931196,0.00010446);(112.763456,0.00010107);(113.493431,0.00011298);(114.546006,0.00010381);(118.201851,0.00009954);(118.605226,0.00009207);(119.048998,0.42681869);(119.560861,0.0001139);(120.052361,0.03279226);(120.118257,0.00008808);(121.028281,0.00326903);(122.736433,0.00010131);(123.180448,0.00010071);(123.381885,0.00011473);(124.341141,0.00010775);(125.02323,0.01397267);(125.049285,0.00008411);(126.495645,0.00009961);(127.867372,0.00012152);(128.191291,0.00010304);(129.363458,0.00009163);(129.680937,0.00008538);(131.160125,0.00009185);(131.643084,0.00010723);(131.774484,0.00008699);(135.007372,0.00006573);(135.043897,0.00027412);(135.866506,0.00010728);(136.894573,0.00009559);(137.023081,0.00009413);(138.335596,0.00008739);(138.439845,0.00011187);(139.569926,0.00008304);(140.791659,0.00009558);(140.798084,0.00009605);(143.049332,0.00043396);(145.028381,0.01059286);(146.031969,0.00010941);(149.023364,0.00172517);(149.62099,0.0000726);(149.855077,0.00009184);(151.002642,1.0);(151.252475,0.00010128);(152.005946,0.06870996);(152.016431,0.00012458);(152.193879,0.00007262);(153.007113,0.0015455);(153.354215,0.00010141);(153.975343,0.00009752);(154.064216,0.00009203);(158.404592,0.00009304);(158.883129,0.00011277);(158.929718,0.0001054);(159.871635,0.00009631);(161.059727,0.0018486);(161.562508,0.00009563);(165.018427,0.03883569);(165.814814,0.00009064);(166.021894,0.0021493);(169.013416,0.02082169);(169.048676,0.00010683);(170.016918,0.00025086);(174.638219,0.00009144);(175.583869,0.00010628);(177.018529,0.12168645);(178.021975,0.01130867);(182.408258,0.00012238);(185.06007,0.00615261);(187.039375,0.00393353);(187.950221,0.00009752);(190.062188,0.00009784);(194.193968,0.00007519);(194.990643,0.00011243);(195.275159,0.00011616);(195.612843,0.00010997);(198.309076,0.00012874);(198.37805,0.00009787);(199.0757,0.00014592);(203.070321,0.00076485);(208.524719,0.00010512);(211.298479,0.00011064);(212.157175,0.00010789);(215.874665,0.00142225);(215.886383,0.0020473);(215.901533,0.00015866);(223.61052,0.00010759);(224.751488,0.0000935);(225.037098,0.00010005);(227.071056,0.01685313);(227.150506,0.00012461);(228.074276,0.00146042);(229.050139,0.00328244);(237.832048,0.00008897);(249.052383,0.00011674);(251.345666,0.00009607);(253.050367,0.00501431);(254.492881,0.00009369);(269.045868,0.00159749);(269.803173,0.00008276);(270.048541,0.00027629);(271.061198,0.40333123);(272.064714,0.06529013);(273.06706,0.00246036)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.158875,0.00006642);(50.539061,0.00005378);(51.208258,0.00058457);(51.551358,0.00026788);(52.625139,0.00006891);(55.054944,0.00044662);(55.168957,0.00004945);(55.613395,0.00005231);(55.811635,0.00030891);(55.935206,0.00186664);(56.205046,0.00022194);(57.070609,0.00186971);(58.06585,0.0012082);(58.396694,0.00005196);(58.663379,0.00004432);(59.082768,0.00005093);(59.247124,0.00005874);(59.789091,0.00011295);(59.856697,0.00005248);(59.91776,0.0000731);(60.098527,0.0000849);(60.675102,0.00005382);(60.956173,0.0000449);(61.011372,1.0);(61.139524,0.00005974);(62.010772,0.02527345);(62.014708,0.06092603);(62.01748,0.00006192);(62.060741,0.00019043);(62.597966,0.00008278);(62.766525,0.00051783);(62.845904,0.00005708);(62.891102,0.00005514);(63.00715,0.12439273);(63.072815,0.00051112);(63.104567,0.00005449);(66.038479,0.00005879);(66.121329,0.00055165);(67.054917,0.00087639);(68.134057,0.00007031);(68.21724,0.00006555);(69.070531,0.00160482);(69.1812,0.0000486);(69.853121,0.00006183);(70.958637,0.00244417);(71.049631,0.00012752);(71.086165,0.00082515);(71.2361,0.00006895);(71.559796,0.0000615);(71.652807,0.0000827);(71.929973,0.00621606);(72.681489,0.000044);(72.937863,0.00696392);(74.010857,0.00005372);(74.164418,0.00022484);(74.673083,0.00047323);(75.322256,0.00006996);(76.809772,0.00036366);(76.888733,0.00051674);(77.360808,0.00008684);(77.472109,0.00007597);(78.764826,0.00036817);(79.021789,0.00162011);(79.048562,0.00042169);(79.054754,0.0001175);(79.423591,0.00008405);(79.800362,0.00049603);(79.823749,0.00022464);(81.011592,0.00007024);(81.070426,0.00258436);(83.086059,0.00205315);(84.708236,0.00007385);(85.065403,0.00010061);(85.101579,0.0000852);(86.222165,0.00005074);(86.387474,0.00006108);(87.73957,0.00006529);(87.906975,0.00246365);(88.167866,0.00005268);(89.01123,0.0005509);(89.115075,0.00007349);(89.834028,0.00010656);(89.940423,0.00298624);(90.620816,0.00005061);(90.626214,0.00006153);(90.948231,0.00783376);(92.279805,0.00005934);(92.78616,0.00058832);(93.070357,0.00063174);(93.941469,0.00021412);(95.085954,0.0026786);(96.418764,0.00007005);(96.77856,0.00007834);(97.0651,0.00059921);(97.10159,0.00141012);(98.975794,0.00573408);(100.076172,0.0007023);(101.003499,0.00603295);(101.039346,0.00053254);(101.532782,0.00058178);(101.832213,0.0002364);(102.482009,0.00022254);(102.948117,0.00100461);(103.510554,0.00005308);(104.023044,0.00005412);(104.050177,0.00037682);(104.070909,0.00291601);(104.096466,0.00006043);(104.93071,0.01142784);(104.992526,0.00061588);(105.0699,0.00005179);(105.161716,0.00006608);(105.917385,0.01606468);(106.863261,0.00005278);(106.926149,0.0000644);(107.085875,0.00126771);(107.967105,0.00059218);(108.255008,0.0005714);(108.26493,0.00005501);(109.101443,0.00129048);(111.080645,0.00028361);(113.441766,0.00005312);(113.76821,0.00044331);(114.088691,0.00026939);(114.091499,0.00006973);(114.238797,0.00007317);(114.723464,0.00008873);(114.94863,0.00954649);(116.914844,0.0000718);(116.948754,0.00126006);(116.986058,0.00193089);(117.917232,0.01553006);(118.925407,0.00060096);(118.947479,0.00125756);(120.940716,0.00164299);(121.084108,0.00026484);(121.10142,0.00112763);(121.349447,0.00057282);(121.419948,0.00005834);(121.7834,0.0002606);(122.941061,0.05143135);(123.043714,0.00006098);(123.116858,0.00030967);(124.044892,0.00006574);(124.112168,0.00006166);(124.93657,0.01179945);(125.096432,0.00018275);(129.503214,0.00033248);(131.085697,0.00013326);(131.379269,0.00006082);(132.338061,0.00057936);(132.924431,0.00005876);(132.940441,0.00122412);(132.958307,0.01661921);(133.922873,0.00196212);(133.948677,0.007032);(134.919795,0.03832316);(134.941105,0.00329381);(134.958732,0.00146773);(135.116783,0.00056498);(135.927642,0.03468247);(135.943633,0.00059062);(135.949112,0.00631302);(135.966441,0.00448625);(136.95659,0.0304693);(137.943532,0.00215829);(138.127894,0.00006504);(138.951924,0.00526296);(139.111992,0.00005955);(140.951709,0.00064758);(144.068876,0.00006166);(145.187032,0.00058816);(145.578944,0.0000655);(146.280971,0.00012532);(146.940956,0.00011797);(147.043972,0.00700173);(147.116626,0.00005755);(148.047517,0.00018968);(148.956025,0.00893877);(148.971789,0.33914484);(149.059864,0.00054052);(149.132753,0.0005228);(149.943225,0.01790707);(149.972932,0.04432727);(149.974681,0.04600651);(150.951018,0.15416953);(150.96752,0.06806563);(150.97264,0.06750066);(151.679975,0.00010481);(151.864524,0.00006286);(151.951422,0.00013849);(151.969958,0.00702706);(152.143354,0.00005738);(152.309827,0.00010785);(152.930383,0.00637986);(152.951427,0.12319844);(152.967347,0.02377803);(153.0181,0.01309828);(153.920165,0.00030717);(153.938217,0.01144614);(153.959332,0.05141414);(154.021519,0.00020901);(154.12385,0.00006174);(154.94684,0.02633827);(154.967868,0.00008182);(155.954611,0.01046236);(156.488938,0.00026113);(158.880462,0.00047001);(159.113058,0.00005292);(161.13281,0.00005525);(162.951006,0.01898692);(163.140974,0.00006575);(163.148118,0.00306521);(163.942694,0.01183364);(163.951223,0.00101987);(163.969598,0.00052135);(164.94335,0.00068268);(164.951547,0.10400486);(164.966923,0.00138337);(165.920825,0.00010939);(165.938123,0.19535223);(165.958798,0.00031078);(166.939412,0.00099808);(166.946937,0.02174513);(166.956768,0.00012595);(166.966622,0.00467154);(166.982311,0.04921924);(167.143038,0.00005383);(167.953727,0.07321209);(167.984743,0.00590415);(168.954091,0.00127862);(168.96159,0.04621436);(168.982909,0.11933382);(169.985886,0.00030462);(170.96205,0.02479658);(170.969839,0.000504);(170.977966,0.02673363);(171.028828,0.00043119);(172.957484,0.00104652);(173.132648,0.00111464);(174.802951,0.00026522);(175.881079,0.00005827);(177.938156,0.01639331);(177.947775,0.00005443);(178.649109,0.00012524);(178.939665,0.0010139);(178.97841,0.00792479);(179.935676,0.00440504);(180.961458,0.01968015);(181.15866,0.00144742);(181.91516,0.00811657);(181.953289,0.00444245);(181.96315,0.00160996);(181.996185,0.00013715);(182.70225,0.00006255);(182.944538,0.00012255);(182.962217,0.09669124);(182.998282,0.000533);(183.930788,0.00076835);(183.948708,0.09092258);(183.968861,0.00429961);(184.957435,0.02189242);(185.949445,0.01012504);(185.964381,0.08834353);(185.973698,0.00101819);(186.965361,0.0000752);(187.944411,0.00008672);(189.735098,0.00008074);(191.641547,0.00007065);(191.964667,0.00712019);(192.961625,0.94556583);(193.964103,0.40089363);(193.979235,0.00009217);(194.940114,0.00812464);(194.96268,0.47793023);(194.983246,0.00057444);(195.936189,0.0519109);(195.948508,0.00752706);(195.959469,0.01600587);(195.966321,0.01310731);(196.169894,0.00012724);(196.697406,0.00007844);(196.957453,0.11690548);(196.977501,0.00059771);(197.946844,0.01844646);(197.964077,0.00118302);(199.310339,0.00054804);(199.925894,0.00467547);(199.980666,0.00008602);(201.164174,0.00006011);(201.958845,0.00117657);(203.472282,0.0004989);(207.524026,0.00009158);(208.20622,0.00055319);(209.191099,0.00008449);(209.975292,0.00153871);(210.97206,0.40055447);(211.188764,0.00044703);(211.951922,0.00466813);(211.974404,0.18241406);(212.20075,0.00050706);(212.933976,0.01598751);(212.9504,0.01153801);(212.972675,0.66293699);(213.946551,0.10365402);(213.975609,0.02059864);(214.949461,0.00091117);(214.967936,0.14211038);(215.796123,0.00627303);(215.815751,0.00268529);(215.824283,0.00035387);(215.958164,0.00085735);(216.642525,0.00006199);(216.836321,0.0000559);(217.104527,0.00008197);(217.544249,0.00007181);(223.319568,0.00005593);(224.987865,0.01499879);(225.990213,0.00445478);(226.178459,0.00006177);(226.964381,0.00142558);(226.988014,0.02190587);(227.962579,0.00023482);(228.196239,0.00030244);(228.928101,0.00008399);(228.983563,0.00251357);(230.983311,0.0108349);(232.090345,0.00007543);(232.978775,0.00032201);(240.231588,0.00030487);(241.971983,0.00007268);(242.047329,0.00077412);(244.974838,0.00016123);(246.071435,0.00032456);(250.465839,0.00007013);(252.607598,0.000356);(254.211525,0.0012345);(254.248275,0.00006829);(255.214708,0.00005862);(256.625279,0.00005794);(257.412857,0.00004897);(259.190752,0.0000721);(259.828612,0.00007299);(260.057856,0.00568811);(261.043147,0.00010338);(261.167399,0.00030973);(271.059802,0.02070111);(271.115111,0.00008887);(271.151242,0.00078096);(271.187385,0.00020507);(271.318666,0.00051219);(271.777668,0.00007149);(272.063096,0.01275832);(272.258083,0.00952627);(272.294565,0.00070693);(272.9761,0.00007398);(273.076496,0.00786206);(273.130952,0.00288293);(273.167108,0.01559529);(273.261594,0.00090622);(274.078594,0.00088569);(274.13684,0.00009173);(274.170452,0.00139315);(274.27349,0.00048775);(275.109848,0.00499272);(275.146359,0.00296235)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.323054,0.0002739);(50.437667,0.00025261);(50.512168,0.00029436);(50.810116,0.00018934);(51.9097,0.00028925);(53.242104,0.00034676);(53.79145,0.00029753);(53.898616,0.00027431);(54.145243,0.00018894);(54.464945,0.00023791);(54.85964,0.00026358);(55.024715,0.00027653);(55.033498,0.00028816);(55.98534,0.00029303);(56.078291,0.00028062);(56.266159,0.00016165);(56.784536,0.00025898);(57.627733,0.00023231);(58.422105,0.00032201);(58.50149,0.00025411);(58.518652,0.00027321);(59.428739,0.00023988);(59.589413,0.00034693);(59.923077,0.00022701);(60.153766,0.00026724);(60.50153,0.00018004);(60.998734,0.00028814);(61.451357,0.00028791);(62.252664,0.00021883);(62.44872,0.00024638);(62.682624,0.00026024);(62.734323,0.00024052);(62.853949,0.00026653);(63.022675,0.09325268);(63.163543,0.00024045);(63.972276,0.0002512);(63.981647,0.00024296);(64.026052,0.00094867);(64.812522,0.00029195);(64.864679,0.0002918);(64.926746,0.00026578);(65.001924,0.14691061);(65.570195,0.00032545);(66.005285,0.00185883);(66.039284,0.00029743);(66.629072,0.0002657);(66.96432,0.00025274);(67.603464,0.00024777);(68.864391,0.00029084);(70.561763,0.00026536);(71.159143,0.00031806);(71.205406,0.00029808);(71.531489,0.00025168);(72.086815,0.00027964);(72.696567,0.00028458);(74.378713,0.00026909);(75.212532,0.00038536);(75.711401,0.00027242);(77.269993,0.00029182);(77.902118,0.00026282);(78.71157,0.00034776);(78.977786,0.00020939);(80.173674,0.00031296);(80.174212,0.00028858);(80.175165,0.0002738);(81.03303,0.00022164);(83.012518,0.13679473);(83.031762,0.00033814);(83.111806,0.00026088);(83.254811,0.00026967);(84.015889,0.00179725);(85.553725,0.00025845);(85.683661,0.0002261);(85.803373,0.00026825);(87.519461,0.00027814);(89.378769,0.00027226);(91.242091,0.00022651);(91.644677,0.00025431);(92.231544,0.00035002);(92.809441,0.00023948);(93.033313,0.17162938);(93.036487,0.00040152);(93.301626,0.00030203);(94.036601,0.00805779);(95.143398,0.00029638);(95.682663,0.00031573);(96.405974,0.00027597);(97.012494,0.00024568);(97.504235,0.00023342);(98.21267,0.00028314);(98.642013,0.00024298);(101.408081,0.00030387);(102.073593,0.0003051);(102.793513,0.00027573);(103.303392,0.00027927);(103.461725,0.00031408);(103.714424,0.00027393);(104.539279,0.00024494);(105.80216,0.00029855);(107.012643,0.38524881);(107.033403,0.0001821);(108.015973,0.02442633);(108.019753,0.00072671);(108.29596,0.00022648);(108.99194,0.0007541);(109.244834,0.00025995);(111.249515,0.00031228);(111.65583,0.00022391);(111.768004,0.00026522);(112.92836,0.00025416);(115.936309,0.00032299);(118.838458,0.00037684);(119.049019,1.0);(119.073515,0.00164046);(120.052384,0.07675708);(121.028314,0.00668941);(122.873024,0.00025457);(124.881361,0.00025002);(125.023183,0.0115825);(134.495878,0.00030743);(135.437084,0.00029569);(136.015783,0.00029259);(137.023179,0.0022098);(137.748356,0.00024311);(137.790862,0.00025156);(139.99736,0.00031984);(143.049059,0.00258914);(143.590897,0.00024306);(144.474493,0.0003394);(145.028408,0.01727498);(146.789767,0.00027602);(148.26753,0.00027462);(148.520095,0.00029585);(149.023309,0.00060892);(150.530659,0.00028796);(151.002649,0.99485131);(151.946818,0.00025698);(152.005962,0.06881924);(155.10187,0.00028917);(156.470409,0.00029092);(156.64891,0.00023258);(159.565703,0.00032234);(159.941864,0.00029797);(161.059794,0.01335843);(161.204615,0.00023371);(163.719666,0.00026313);(163.926943,0.00033807);(164.010809,0.00041286);(165.018428,0.04646219);(165.726409,0.00028939);(166.021659,0.00035165);(167.048697,0.00033287);(168.145171,0.00035372);(169.013253,0.01985635);(169.06558,0.00022797);(171.752989,0.00020022);(174.199241,0.00031708);(175.138555,0.00024226);(176.90668,0.00031882);(177.018441,0.10359414);(178.021844,0.00653433);(178.13364,0.00027086);(178.541165,0.00024963);(179.969814,0.00028355);(185.05137,0.00028207);(185.060014,0.02104738);(185.075698,0.00029917);(187.03929,0.02266103);(188.877939,0.00030722);(189.422457,0.0003079);(195.122057,0.00031363);(195.943027,0.00028775);(201.054813,0.00054742);(201.478339,0.00023996);(203.070751,0.00025784);(209.060627,0.00025032);(211.51487,0.00025048);(215.875858,0.00754846);(215.888143,0.00545068);(224.041937,0.00032109);(225.053704,0.0002562);(225.793066,0.00025145);(225.880733,0.00029401);(227.070851,0.02018409);(228.075285,0.00056276);(229.050052,0.00595234);(238.35556,0.00038612);(244.788478,0.00029376);(252.089706,0.0002419);(253.050723,0.00213423);(254.166946,0.00031947);(255.593409,0.0002448);(258.655237,0.0002508);(261.955536,0.00030519);(266.675537,0.00022732);(267.891801,0.00032861);(269.0462,0.00031965);(269.36136,0.00024179);(271.061295,0.08904651);(271.077104,0.00037467);(272.064448,0.01095078);(272.864948,0.00019343)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.123139,0.00027663);(50.704276,0.00029449);(51.190086,0.00024329);(51.545075,0.00023692);(51.755401,0.0002979);(51.948973,0.0002197);(52.053424,0.00031235);(52.117404,0.00019212);(52.958064,0.00029676);(53.122173,0.00021063);(53.301747,0.00022072);(53.468196,0.0002613);(53.804024,0.00021677);(54.186469,0.00032);(54.680291,0.00025706);(54.86087,0.00023605);(55.552215,0.00020266);(56.357404,0.00022733);(56.583093,0.00015921);(57.418629,0.00028518);(57.491945,0.00027261);(57.743749,0.0002172);(57.798209,0.00025841);(58.098234,0.00026554);(58.327902,0.00026517);(59.394893,0.0002858);(59.544604,0.00025314);(59.784318,0.00025144);(60.372343,0.00024147);(60.581775,0.00029268);(61.071259,0.0002775);(61.588207,0.00031723);(62.006934,0.00249754);(62.01015,0.00040588);(63.013189,0.00025102);(63.022675,0.23498099);(63.142258,0.00023632);(63.35269,0.00025284);(64.026008,0.00774741);(64.530881,0.00027205);(64.57786,0.00028418);(64.677489,0.00030377);(64.759847,0.00026733);(64.791288,0.0001872);(64.848824,0.00032486);(64.925859,0.00026471);(64.992029,0.00051622);(65.001934,0.41342362);(65.201733,0.00022981);(65.48189,0.00019648);(66.005259,0.01383734);(66.363548,0.00027034);(66.428516,0.00034339);(66.525116,0.00026207);(66.535108,0.00030751);(66.839476,0.00019199);(67.216944,0.00027393);(67.637985,0.00029901);(68.702128,0.00027208);(68.99685,0.0083594);(70.542953,0.00026004);(70.598999,0.00028505);(71.145066,0.00036212);(71.754409,0.00025056);(72.559032,0.00025934);(73.375454,0.0003196);(73.495385,0.0001719);(73.919996,0.00027233);(74.834817,0.00024525);(75.395698,0.00023209);(75.559042,0.00017961);(76.200029,0.0002954);(76.666568,0.00032545);(78.337298,0.00029648);(78.446146,0.00017138);(79.268296,0.00028256);(80.65692,0.00027543);(80.714328,0.00040295);(81.033337,0.00065928);(81.953727,0.00025257);(83.012527,0.20297948);(83.529075,0.00022207);(83.882419,0.00025013);(84.015858,0.00395102);(84.222389,0.00033763);(84.637256,0.00025326);(85.096349,0.00026984);(85.450065,0.00028801);(87.533303,0.00033273);(89.271508,0.00026281);(89.304432,0.0002457);(89.633454,0.0002693);(90.869389,0.00020836);(93.03331,0.10307789);(93.359913,0.00037479);(93.638093,0.00027339);(93.68193,0.00029302);(94.036616,0.003114);(94.483295,0.000283);(95.012362,0.00086885);(95.091564,0.00030297);(96.452085,0.00031238);(96.596711,0.0002178);(97.067138,0.00023541);(97.605162,0.000298);(97.622233,0.00027714);(97.760346,0.00020666);(99.599914,0.00024615);(100.720261,0.00036558);(101.687721,0.00018473);(101.844851,0.00030812);(104.148251,0.00025407);(107.012643,0.27542156);(107.328016,0.00036167);(107.393435,0.00025086);(107.542924,0.00022952);(108.015975,0.01380537);(108.020271,0.00651771);(108.9918,0.00032242);(109.028271,0.0046725);(109.416151,0.00029559);(109.474527,0.00025921);(109.794968,0.00033863);(111.714609,0.00033656);(113.387191,0.00026457);(117.033448,0.01380965);(118.03639,0.00049734);(119.024497,0.00038537);(119.049052,1.0);(120.052416,0.07903466);(121.028246,0.00881176);(121.633785,0.00023053);(122.485445,0.00030524);(123.798136,0.00027849);(125.023256,0.00028344);(125.71249,0.00027582);(126.395812,0.00028707);(126.702656,0.00029378);(127.653978,0.00032083);(128.454348,0.00028302);(131.441431,0.00028844);(133.028529,0.0027702);(133.658984,0.00038239);(133.973298,0.00023973);(135.044568,0.00028115);(137.023324,0.00525909);(139.240492,0.00019769);(140.252223,0.00029719);(142.046074,0.0003009);(142.114105,0.00018292);(142.538622,0.00029902);(143.04915,0.01945821);(144.053011,0.00034051);(145.028497,0.02059827);(149.547101,0.00020678);(149.5543,0.00017145);(151.00266,0.15361955);(151.263455,0.00029435);(152.006055,0.00853645);(153.342564,0.00028955);(154.259571,0.00021776);(157.065055,0.00071782);(158.075653,0.0003044);(158.270023,0.00018803);(161.05976,0.02528186);(163.618742,0.00029944);(164.197028,0.00033035);(164.27235,0.00029595);(165.018427,0.01346595);(166.024003,0.00032118);(167.049063,0.00066395);(167.459157,0.0002282);(167.595289,0.00029089);(169.012575,0.00030433);(170.276598,0.00026223);(177.018358,0.02470557);(178.172857,0.00017102);(180.869132,0.00028888);(181.422663,0.00029775);(182.461923,0.00026171);(183.463929,0.000297);(185.060038,0.01163927);(185.32588,0.00026426);(185.712493,0.00026886);(187.039442,0.04320153);(188.042906,0.00060499);(192.127029,0.00027684);(196.118696,0.00023043);(197.079448,0.0003647);(198.034847,0.00026146);(198.19151,0.0003421);(200.563531,0.00026149);(201.055033,0.00024665);(202.582061,0.00031375);(208.225392,0.00030615);(210.112408,0.00033444);(213.259688,0.00034029);(219.802149,0.0026463);(225.592963,0.00028874);(229.051115,0.00041058);(237.626939,0.00033565);(245.0793,0.00028786);(245.863673,0.00021591);(247.443963,0.0002632);(247.881367,0.0003041);(250.818014,0.00032125);(251.91189,0.00032084);(260.554271,0.0002591);(260.718991,0.00032809);(272.370272,0.00024629);(273.012836,0.00027856);(274.266256,0.0003299)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.775492,0.0000682);(51.524736,0.00007945);(51.921567,0.00005911);(52.207822,0.00008197);(52.676093,0.00040432);(52.70466,0.0002813);(53.049436,0.00029684);(54.111615,0.00009768);(54.666194,0.0000657);(54.737153,0.00008613);(54.790445,0.00009682);(54.935832,0.00042657);(55.054957,0.0011478);(55.317543,0.00007164);(55.340041,0.0000843);(55.590297,0.00009017);(55.827606,0.00053359);(55.935129,0.00877006);(56.664421,0.00007313);(56.668944,0.00073766);(56.679255,0.00006499);(56.785935,0.00006421);(57.042742,0.00029866);(57.070613,0.00171393);(57.306306,0.00011386);(57.402411,0.00029214);(57.987284,0.00007028);(58.065826,0.00296628);(58.447157,0.00013238);(59.143837,0.00077085);(59.578074,0.00006075);(59.97537,0.00007189);(60.446427,0.00009567);(60.613104,0.00005921);(61.011369,1.0);(61.027742,0.00007763);(61.294302,0.00006807);(62.01074,0.02588227);(62.014717,0.06691605);(62.019183,0.0019935);(62.6287,0.00006034);(63.007149,0.13874787);(63.160519,0.00006814);(63.28693,0.00027262);(63.688367,0.00047978);(64.010569,0.00021824);(64.015124,0.00006966);(65.311327,0.00006273);(65.411289,0.00008562);(66.545201,0.00012468);(67.054887,0.00081086);(67.326384,0.00016199);(67.979136,0.00050236);(69.070514,0.00213969);(69.084242,0.00013615);(69.385565,0.00006989);(70.843562,0.00008578);(70.956572,0.00009453);(70.958509,0.02612131);(71.086167,0.00063063);(71.621297,0.00031537);(71.861782,0.0008359);(71.929968,0.01182546);(71.962629,0.00007974);(72.564471,0.00007786);(72.937772,0.02170008);(72.959028,0.00008086);(73.782798,0.00062187);(73.938523,0.00077455);(74.187978,0.00007724);(74.823047,0.00008031);(75.946106,0.0019586);(76.406689,0.00048444);(76.777379,0.00008327);(78.990115,0.00006569);(79.021804,0.00042797);(79.054839,0.00009887);(81.070423,0.00241602);(82.083428,0.00006602);(82.574894,0.00007384);(83.086081,0.00199969);(83.564604,0.00067347);(85.101575,0.00010018);(86.008475,0.000396);(87.73652,0.00005869);(87.906977,0.01124162);(88.772799,0.00005868);(88.790736,0.00078352);(88.968989,0.00096915);(89.940388,0.00567398);(89.976436,0.00006212);(90.948197,0.01982983);(92.583263,0.00006461);(93.070374,0.0008533);(93.758951,0.00008554);(93.956814,0.00009144);(94.428894,0.00029262);(95.085945,0.00253393);(95.334429,0.00009728);(95.917314,0.00006714);(96.67386,0.00009156);(97.065166,0.00044396);(97.101519,0.00086353);(97.914543,0.00026481);(98.94174,0.00061256);(98.975728,0.00323397);(99.209106,0.00063855);(99.55476,0.00013431);(100.076068,0.00048972);(100.199082,0.00014721);(101.003505,0.00082661);(102.667737,0.00009823);(102.915043,0.00076027);(102.929923,0.00061722);(102.948034,0.00339637);(103.999076,0.00028038);(104.070929,0.00201213);(104.512293,0.00006987);(104.759836,0.00008006);(104.930691,0.02373606);(104.992692,0.00016398);(104.99896,0.00010454);(105.917395,0.03658324);(105.935147,0.00010454);(105.956226,0.00009042);(106.277124,0.00030914);(106.926066,0.0024108);(107.049119,0.00007318);(107.085842,0.00140216);(107.967147,0.000238);(108.599919,0.0000588);(108.958641,0.00072988);(108.984056,0.00006773);(109.101382,0.00073249);(111.200976,0.00006742);(111.945008,0.00011012);(113.514385,0.00005935);(114.948469,0.00143108);(115.872642,0.00039852);(115.996015,0.00008929);(116.177452,0.00006514);(116.369078,0.00006168);(116.909361,0.00280781);(116.963348,0.00077759);(116.986163,0.00092318);(117.917217,0.0296649);(117.990578,0.00055037);(118.925748,0.0005009);(118.947596,0.00140803);(119.02836,0.00081025);(119.049313,0.00065868);(119.933007,0.00013385);(120.259506,0.00006375);(120.940771,0.00846416);(121.064151,0.00006761);(121.101319,0.00089428);(121.11504,0.00005905);(122.941047,0.08837851);(123.927708,0.00095533);(123.975083,0.00006057);(124.54323,0.00043999);(124.705978,0.00046865);(124.88267,0.00006749);(124.936447,0.01269175);(125.599584,0.00014375);(125.62134,0.00007192);(126.888682,0.0000828);(129.414663,0.00009069);(129.419079,0.00007155);(131.08515,0.00008269);(131.834042,0.00042305);(131.961271,0.00070171);(132.823632,0.00006833);(132.924596,0.00239865);(132.940476,0.00053386);(132.958277,0.04642638);(133.922893,0.00910323);(133.932121,0.00009402);(133.948565,0.0061349);(133.95822,0.00082472);(133.961719,0.00067016);(134.919748,0.07376684);(134.94098,0.00402348);(134.958567,0.00873988);(135.058475,0.00010157);(135.116723,0.00021112);(135.927564,0.04647778);(135.948989,0.00460399);(135.966494,0.00922825);(136.695625,0.00008822);(136.956704,0.03365399);(137.024163,0.00006412);(137.848555,0.00009806);(137.928103,0.00258496);(137.943601,0.00016652);(138.951696,0.00405071);(140.94456,0.00005389);(140.951493,0.00115429);(142.264597,0.00008569);(142.676532,0.00013353);(142.687307,0.00050923);(143.208567,0.00008228);(144.945828,0.0002826);(146.716793,0.00008201);(147.03831,0.00012396);(147.044046,0.00577258);(147.97474,0.00008137);(148.956216,0.00206713);(148.97179,0.51853891);(149.059452,0.00008291);(149.092824,0.00065434);(149.943282,0.00437432);(149.961018,0.00271868);(149.972808,0.07329188);(149.974319,0.07186531);(150.951064,0.10938588);(150.966981,0.14073047);(150.973201,0.01943305);(151.959036,0.00135672);(151.97,0.01198357);(152.930418,0.02019311);(152.951424,0.21634244);(152.968135,0.03293155);(153.018094,0.0139704);(153.356501,0.00054841);(153.615935,0.0000763);(153.931457,0.00013899);(153.938274,0.02016765);(153.959271,0.18410673);(154.021323,0.00061195);(154.750339,0.00048006);(154.940926,0.00010339);(154.946846,0.04308963);(154.963714,0.00189353);(155.76169,0.0000761);(155.80186,0.00007729);(155.954747,0.03212853);(159.827765,0.00008979);(160.815155,0.00008988);(162.950988,0.00594239);(163.008498,0.00011442);(163.147984,0.00027523);(163.942557,0.00226092);(164.951682,0.04247462);(165.938167,0.09456749);(165.958929,0.00102382);(166.939044,0.00010018);(166.946838,0.00838844);(166.966839,0.0072549);(166.982342,0.08520443);(166.989945,0.00080311);(167.461278,0.00062508);(167.953735,0.04318029);(167.974944,0.00116101);(167.984491,0.01892483);(168.961601,0.03453048);(168.970184,0.00021167);(168.983211,0.10658254);(169.402759,0.00007468);(169.959478,0.00061183);(169.97163,0.00011551);(169.987101,0.00010497);(170.961918,0.05125602);(170.978138,0.0214352);(171.028129,0.00009559);(172.957462,0.00523077);(173.132148,0.0002993);(173.643253,0.00008905);(175.204061,0.00009128);(175.267569,0.00012157);(177.938197,0.03354419);(178.020418,0.00008414);(178.940138,0.00498473);(178.978464,0.0031475);(179.933629,0.00319231);(180.635504,0.00008908);(180.96166,0.00941281);(180.974034,0.00016392);(180.99826,0.00266821);(181.916075,0.00067231);(181.953543,0.00041251);(181.964571,0.00066411);(182.962241,0.04385593);(182.977149,0.0010788);(182.998312,0.0001904);(183.948653,0.04699387);(183.969069,0.00017962);(184.957435,0.00981758);(185.350371,0.00066613);(185.94934,0.04746546);(185.964229,0.06323668);(186.756789,0.00008854);(186.769153,0.00063481);(187.944751,0.00596328);(190.492685,0.0000702);(191.964679,0.00075544);(192.961623,0.26006167);(193.964092,0.10623489);(194.940519,0.00023775);(194.961842,0.08520214);(195.93709,0.00417884);(195.948915,0.03324595);(195.959232,0.00173825);(196.041575,0.00006635);(196.948409,0.00086875);(196.957747,0.01763401);(197.946848,0.0084469);(197.964229,0.00007589);(201.95819,0.0000888);(206.300567,0.00007581);(209.974737,0.00080173);(210.059379,0.0000839);(210.972026,0.13288911);(211.974633,0.06063945);(212.200775,0.00008137);(212.933599,0.0036146);(212.950187,0.00170872);(212.972777,0.15853919);(213.946526,0.01250473);(213.974022,0.00170377);(214.83061,0.00008391);(214.967962,0.03120744);(215.799281,0.00660709);(222.791624,0.00009452);(224.988113,0.00109865);(225.989101,0.00016304);(226.307408,0.00066899);(226.853016,0.00006352);(226.987807,0.00174137);(230.983794,0.00022394);(233.521633,0.00068884);(235.787886,0.00007399);(237.937157,0.00061145);(242.04659,0.00007684);(246.164811,0.00012097);(247.268465,0.00010325);(247.581756,0.00066143);(253.949216,0.00009674);(256.903447,0.00007376);(260.057718,0.0004322);(262.658431,0.00056826);(263.883119,0.00010689);(264.726877,0.00007039);(265.162633,0.00007063);(267.748148,0.00014531);(271.059793,0.0128934);(271.319173,0.000188);(272.063211,0.00725326);(272.098135,0.00010129);(272.25821,0.00101955);(273.077225,0.00024231);(273.130878,0.00050585);(273.16723,0.00334118);(275.110754,0.0004756);(275.146562,0.00043417)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.01256,0.00009682);(50.247167,0.00022573);(50.316856,0.0001077);(51.112394,0.00012209);(51.369191,0.00014447);(52.012113,0.00015178);(52.174847,0.0002089);(52.383435,0.00013227);(52.463769,0.00020599);(52.47498,0.0004466);(53.039271,0.00012189);(53.360472,0.00011559);(53.460353,0.00012366);(54.220944,0.00013864);(54.3683,0.00043927);(54.837096,0.00012083);(55.018427,0.00014411);(55.020756,0.00009761);(55.054925,0.00725098);(55.286572,0.00011495);(55.759758,0.00060529);(55.93512,0.07696778);(56.013917,0.00011276);(56.050254,0.00028423);(56.268254,0.00023191);(56.350519,0.00015442);(56.788084,0.00100172);(56.823925,0.00014562);(56.889371,0.00128172);(56.902386,0.00013774);(56.93554,0.00021803);(56.942913,0.01102009);(56.965675,0.000934);(56.975363,0.00010264);(57.070559,0.00352585);(57.272075,0.00011339);(57.379263,0.00013136);(57.676804,0.00012543);(57.802138,0.00022298);(57.896389,0.00010155);(57.935509,0.10064928);(58.065847,0.00503444);(58.503844,0.00016162);(58.744355,0.00012027);(59.014461,0.00086826);(59.799966,0.00014667);(59.930954,0.0164005);(59.96714,0.0002148);(60.48032,0.00010459);(61.011346,1.0);(61.973966,0.00011487);(62.010738,0.02359676);(62.014706,0.06629968);(62.019171,0.03593968);(62.161389,0.00023843);(62.186878,0.00012699);(62.225642,0.0001267);(62.307971,0.00015046);(62.500395,0.00044532);(62.665203,0.001192);(63.007142,0.13973269);(63.02701,0.03214857);(63.55884,0.00120924);(63.653916,0.00014575);(63.697326,0.00015427);(64.014985,0.00326396);(65.022742,0.00324843);(65.362632,0.00015659);(65.403009,0.00014697);(67.018437,0.00147276);(67.054895,0.00553157);(67.24544,0.00075146);(68.28811,0.00015423);(68.518284,0.00026666);(68.997725,0.00122136);(69.034132,0.00026943);(69.070531,0.00508889);(69.293159,0.00013846);(69.396777,0.00015177);(69.634179,0.00011338);(69.961601,0.00010288);(70.94242,0.0022461);(70.958503,0.42452375);(71.08616,0.00086621);(71.769911,0.00013038);(71.929947,0.05209996);(71.958985,0.04473439);(71.961821,0.01431369);(72.081414,0.00011735);(72.877762,0.00017654);(72.937759,0.2614296);(72.956764,0.00017249);(72.958919,0.02065861);(73.403034,0.00048976);(73.697089,0.000141);(73.799427,0.0001492);(73.930376,0.00439136);(73.93818,0.01121204);(73.9456,0.00405103);(74.089802,0.00052768);(74.936081,0.00011348);(74.938375,0.00010662);(74.953473,0.01028097);(75.201484,0.00013716);(75.862063,0.00012045);(75.925453,0.00033765);(75.943722,0.00020629);(75.945968,0.08767903);(76.093117,0.00022262);(76.881329,0.00015141);(77.941417,0.01260054);(78.969732,0.00060285);(79.021826,0.00066527);(79.05477,0.00238678);(80.236411,0.00011474);(80.264286,0.00011568);(80.978374,0.00013088);(81.070437,0.00450522);(81.451371,0.00070128);(82.530078,0.00110158);(83.086087,0.00206447);(83.102533,0.00134083);(83.37188,0.00100676);(83.951304,0.00012792);(85.101741,0.00014019);(85.689032,0.00046781);(85.788283,0.00102984);(85.911558,0.00440819);(86.475531,0.00110863);(86.953292,0.01574673);(87.376692,0.00009916);(87.886768,0.00014008);(87.906956,0.11584207);(88.320101,0.00116144);(88.907539,0.00019474);(88.914887,0.00914182);(88.952834,0.00394363);(88.96897,0.06208204);(89.151671,0.00014476);(89.299672,0.00122604);(89.546254,0.00010373);(89.699648,0.00060112);(89.840409,0.00017159);(89.902589,0.00117275);(89.940372,0.03889464);(89.964116,0.00010649);(89.969351,0.00235218);(90.752931,0.00015842);(90.940931,0.00014848);(90.948159,0.14370586);(91.054683,0.00479345);(91.571412,0.00010918);(91.765318,0.00014507);(91.948462,0.00393323);(92.058007,0.00012333);(92.989133,0.00011251);(93.07027,0.00256486);(93.942077,0.00106917);(93.956418,0.03687813);(95.085883,0.00314842);(95.821663,0.00021731);(95.951683,0.00104614);(96.695222,0.00011579);(97.065205,0.00031239);(97.101627,0.00028425);(97.401104,0.000135);(98.108435,0.00114745);(98.975659,0.00414735);(99.20317,0.00085926);(99.920099,0.00010051);(100.075914,0.00037357);(101.650593,0.00112821);(101.83486,0.00009714);(102.534331,0.00016658);(102.915063,0.03443323);(102.930372,0.01080195);(102.948025,0.0262947);(103.977047,0.00018101);(104.070909,0.00017986);(104.910314,0.00139415);(104.930664,0.057505);(104.963646,0.01997602);(104.999722,0.00104968);(105.033817,0.0003527);(105.913485,0.00055879);(105.917326,0.08967241);(105.934904,0.00013922);(105.956117,0.00447019);(106.925946,0.01326214);(106.979224,0.00101075);(107.085773,0.00057779);(107.912873,0.00175118);(107.950733,0.01020867);(108.958558,0.01442345);(111.157941,0.00011136);(114.826488,0.00020393);(114.914092,0.00017163);(114.947976,0.00359258);(115.912376,0.00464756);(116.909386,0.06779925);(117.059236,0.00063065);(117.917156,0.05782938);(117.95615,0.00238145);(118.530749,0.00104322);(118.925029,0.03397702);(118.943316,0.00061619);(118.947619,0.00403274);(118.963394,0.00017106);(119.049243,0.00834139);(119.91301,0.00134835);(119.917051,0.00078096);(119.932698,0.0001938);(120.052623,0.00031519);(120.650729,0.00088365);(120.920688,0.00016153);(120.925467,0.00405247);(120.940668,0.07325084);(120.958567,0.00029484);(121.028047,0.0002082);(121.101563,0.00028055);(121.649184,0.00014371);(121.743801,0.00016552);(121.748185,0.00023457);(121.940613,0.00305116);(122.936428,0.01428674);(122.940977,0.21371797);(122.97399,0.00025194);(123.631867,0.00010749);(123.879369,0.00146642);(123.927638,0.00873853);(123.948934,0.00016452);(124.342705,0.00100049);(124.606758,0.00010222);(124.936429,0.04452693);(125.410724,0.00142355);(125.96106,0.00094688);(127.171372,0.00066665);(131.96129,0.00915979);(132.92439,0.00814981);(132.945901,0.00018296);(132.958203,0.34958862);(133.512911,0.00016505);(133.922959,0.01352502);(133.948334,0.05710864);(133.958185,0.01595675);(133.961895,0.0170081);(134.919713,0.20306846);(134.941151,0.00289475);(134.947798,0.00027983);(134.958748,0.06205399);(135.592855,0.00012139);(135.927539,0.07725902);(135.943781,0.00875684);(135.948923,0.00826349);(135.966476,0.04187009);(136.927489,0.00016018);(136.93542,0.01120289);(136.956626,0.01706352);(137.023507,0.00012417);(137.584671,0.00015383);(137.92265,0.00527186);(137.927947,0.11604486);(137.943869,0.00050029);(137.961728,0.00192855);(138.935825,0.01063418);(138.951106,0.02670841);(139.923335,0.02475963);(140.931143,0.00075817);(140.946298,0.00017788);(140.951476,0.00573267);(141.070853,0.00014021);(141.528703,0.00022501);(145.02854,0.00016412);(146.318953,0.00018076);(146.973821,0.00338483);(147.04394,0.00308071);(147.927675,0.00183316);(147.975145,0.00025578);(148.971709,0.57416367);(149.943509,0.0002783);(149.961135,0.04832967);(149.972692,0.08297015);(149.974801,0.08784879);(150.9354,0.00015674);(150.951077,0.08267751);(150.968205,0.40816285);(151.942725,0.00028465);(151.952061,0.00016818);(151.958862,0.02883301);(151.969404,0.03365732);(152.930225,0.05615794);(152.951429,0.22155718);(152.968937,0.13140539);(152.976053,0.00149011);(153.018057,0.026789);(153.345245,0.00019667);(153.938322,0.02973294);(153.959152,0.86138735);(154.021374,0.0021103);(154.453368,0.00014608);(154.940635,0.00012408);(154.946873,0.04559981);(154.963631,0.0311926);(155.954648,0.17862361);(155.961879,0.00337252);(156.946512,0.00327423);(159.731136,0.00136793);(162.230454,0.0001063);(164.951373,0.00120647);(164.98431,0.00217881);(165.938129,0.04008022);(166.945949,0.00018038);(166.96701,0.00174371);(166.982208,0.10163923);(167.871573,0.00017805);(167.954611,0.01069481);(167.974566,0.01861932);(167.984232,0.01592541);(167.993248,0.00050766);(168.961626,0.02259902);(168.977204,0.00938033);(168.983197,0.02109864);(169.682701,0.00066925);(169.917648,0.0016707);(169.970228,0.00054614);(170.858271,0.00012458);(170.961896,0.0534545);(170.978939,0.01470357);(171.028294,0.00015177);(172.18054,0.00099419);(172.957612,0.00311767);(175.385327,0.00111888);(176.998013,0.00127125);(177.937984,0.06035367);(178.338672,0.00010921);(178.93989,0.01072629);(179.933792,0.00861613);(179.942369,0.00173641);(180.997929,0.00023101);(181.101286,0.00011852);(182.962176,0.00067449);(183.688567,0.00025483);(183.948873,0.0069913);(184.041972,0.00098267);(185.949041,0.22321878);(185.964323,0.02073011);(186.497853,0.00113724);(186.946965,0.00071249);(187.944441,0.04932805);(188.438292,0.00066831);(192.439948,0.00014779);(192.961564,0.01987741);(193.041851,0.00011627);(193.965202,0.00167389);(194.957829,0.00105606);(195.154614,0.00015485);(195.948657,0.05384872);(196.446638,0.00083623);(196.950608,0.01215135);(197.94517,0.01409844);(199.090573,0.00014323);(199.964728,0.0010704);(202.274558,0.00087373);(207.525762,0.00012707);(210.972217,0.00389445);(212.972081,0.00228524);(213.54974,0.00010984);(219.76429,0.00444208);(222.697265,0.00092538);(227.735994,0.00012102);(229.971274,0.00072313);(234.557616,0.00016612);(235.132111,0.00011189);(235.265476,0.00151978);(239.660124,0.00012024);(244.343156,0.00016066);(249.861573,0.000161);(253.402065,0.00113026);(254.744385,0.00011193);(255.900017,0.00102023);(256.387371,0.00014786);(258.498149,0.00066964);(259.433464,0.00066834);(262.146925,0.00010625);(264.766536,0.00023093);(271.0599,0.00536521);(271.787009,0.00011575);(272.063393,0.00345136);(273.805239,0.00060478);(274.128425,0.000122);(275.108526,0.00152125);(275.260939,0.00149217)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.033,0.019);(107.013,0.01);(119.049,0.039);(151.002,0.322);(152.006,0.023);(165.017,0.016);(177.018,0.051);(271.06,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.023,0.025);(65.003,0.089);(80.025,0.013);(83.012,0.145);(93.034,0.082);(107.012,0.224);(108.016,0.031);(117.033,0.018);(119.049,1.0);(120.05,0.097);(121.033,0.011);(125.019,0.01);(133.034,0.011);(136.016,0.01);(143.047,0.031);(145.028,0.023);(151.001,0.133);(152.005,0.029);(161.059,0.037);(177.021,0.028);(185.058,0.011);(185.065,0.014);(187.039,0.063)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.017,0.04);(63.023,0.063);(65.001,0.038);(65.043,0.046);(83.008,0.057);(83.013,0.113);(115.054,0.038);(116.027,0.044);(117.029,0.088);(117.039,0.055);(119.049,1.0);(120.049,0.109);(125.015,0.042);(132.023,0.05);(137.022,0.038);(152.01,0.063);(165.041,0.075)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.004,0.021);(83.013,0.04);(93.032,0.048);(107.012,0.179);(119.049,0.513);(120.052,0.042);(121.029,0.01);(143.05,0.026);(145.027,0.019);(151.002,0.825);(152.004,0.07);(153.006,0.015);(165.017,0.05);(177.019,0.132);(178.02,0.015);(185.062,0.013);(227.07,0.012);(229.052,0.011);(271.059,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.033,0.022);(107.013,0.01);(119.049,0.055);(151.002,0.323);(152.003,0.021);(177.017,0.061);(271.06,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.024,0.026);(65.001,0.038);(65.006,0.018);(83.012,0.055);(93.032,0.03);(107.013,0.202);(108.017,0.025);(109.031,0.01);(115.055,0.013);(117.032,0.014);(119.049,1.0);(120.053,0.067);(143.05,0.023);(145.029,0.044);(151.003,0.175);(152.005,0.011);(161.062,0.021);(165.015,0.017);(177.014,0.015);(187.04,0.057)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(64.027,0.019);(65.004,0.045);(66.006,0.028);(83.01,0.03);(83.016,0.041);(91.989,0.027);(93.034,0.088);(107.011,0.069);(107.019,0.051);(116.022,0.019);(117.033,0.081);(119.049,1.0);(120.051,0.019);(122.036,0.019);(140.209,0.017);(142.037,0.017);(143.053,0.033);(158.034,0.034);(186.029,0.021)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(65.002,0.033);(83.011,0.021);(93.034,0.084);(107.013,0.128);(119.048,0.538);(120.052,0.033);(145.028,0.02);(151.002,0.85);(152.006,0.082);(153.006,0.017);(161.062,0.022);(165.017,0.055);(177.017,0.115);(178.02,0.011);(185.063,0.02);(187.038,0.02);(227.065,0.01);(271.06,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.034,0.014);(107.012,0.01);(119.049,0.042);(151.002,0.322);(152.006,0.029);(165.02,0.012);(177.019,0.053);(271.06,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.023,0.047);(64.999,0.017);(65.003,0.05);(83.013,0.067);(93.034,0.049);(107.013,0.214);(108.016,0.014);(117.034,0.024);(119.049,1.0);(120.051,0.112);(137.024,0.029);(143.048,0.043);(145.024,0.01);(145.031,0.029);(151.003,0.139);(152.004,0.013);(156.056,0.01);(157.062,0.01);(161.059,0.02);(164.01,0.012);(165.018,0.013);(177.018,0.031);(185.057,0.019);(187.038,0.054)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.018,0.022);(63.027,0.042);(65.001,0.121);(93.032,0.161);(107.009,0.024);(107.016,0.049);(108.013,0.028);(115.053,0.082);(117.033,0.282);(119.049,1.0);(120.046,0.031);(120.051,0.109);(141.035,0.026);(144.049,0.033);(161.066,0.038);(162.997,0.022)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(91.054,0.01);(107.05,0.02);(119.049,0.087);(123.044,0.043);(147.044,0.492);(151.039,0.01);(153.018,1.0);(154.022,0.012);(273.076,0.113)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(83.016,0.01);(93.037,0.037);(107.016,0.031);(119.052,0.1);(151.006,0.346);(165.022,0.012);(177.022,0.052);(271.064,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(63.026,0.074);(65.006,0.108);(83.016,0.102);(93.037,0.134);(107.016,0.296);(119.052,0.852);(119.148,0.033);(125.026,0.013);(145.031,0.019);(151.006,1.0);(151.114,0.031);(161.062,0.014);(165.021,0.046);(177.022,0.109);(185.063,0.017);(187.042,0.019);(227.073,0.019);(229.052,0.011);(271.063,0.184)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(147.044,0.118);(153.018,0.219);(273.076,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(91.056,0.015);(107.046,0.01);(107.052,0.01);(119.049,0.078);(123.039,0.012);(123.044,0.031);(147.044,0.512);(147.145,0.01);(153.018,1.0);(153.127,0.023);(179.032,0.01);(273.075,0.235)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(63.027,0.239);(65.006,0.395);(69.0,0.016);(83.016,0.141);(93.037,0.095);(107.016,0.105);(108.023,0.01);(117.037,0.035);(119.052,1.0);(119.147,0.023);(143.052,0.021);(145.032,0.018);(151.006,0.028);(161.063,0.011);(187.042,0.022)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(55.017,0.035);(55.021,0.018);(65.035,0.015);(65.039,0.06);(65.041,0.02);(67.018,0.129);(67.021,0.072);(68.994,0.022);(68.997,0.11);(69.0,0.06);(69.028,0.015);(69.032,0.079);(69.035,0.09);(77.037,0.036);(77.042,0.024);(79.016,0.014);(79.02,0.011);(83.01,0.026);(83.015,0.013);(91.051,0.022);(91.055,0.53);(91.115,0.01);(92.995,0.012);(95.046,0.032);(95.051,0.037);(97.026,0.046);(97.031,0.039);(107.044,0.017);(107.049,0.034);(111.004,0.021);(119.046,0.072);(119.049,0.36);(123.041,0.034);(125.021,0.017);(147.041,0.074);(147.046,0.054);(153.018,1.0);(153.08,0.01);(153.119,0.018);(153.128,0.022);(153.174,0.011)

Food Sources

Name	Group
Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Grapefruit	Fruit, Citrus	Publications	Show
Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Sweet orange	Fruit, Citrus	Publications	Show
Tomato	Vegetables, Fruit vegetables	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Naringenin	Cherry tomato	Vegetables, Fruit vegetables	Publications	Show
Narirutin	Globe artichoke	Vegetables, Other vegetables	Publications	Show
Naringenin	Grapefruit	Fruit, Citrus	Publications	Show
Naringin	Grapefruit	Fruit, Citrus	Publications	Show
Narirutin	Grapefruit	Fruit, Citrus	Publications	Show
Naringenin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Naringin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Narirutin	Grapefruit juice	Beverages, Non-alcoholic	Publications	Show
Naringin	Lemon	Fruit, Citrus	Publications	Show
Naringin	Lime	Fruit, Citrus	Publications	Show
Narirutin	Orange juice	Beverages, Non-alcoholic	Publications	Show
Naringin	Sour orange	Fruit, Citrus	Publications	Show
Naringenin	Sweet orange	Fruit, Citrus	Publications	Show
Naringin	Sweet orange	Fruit, Citrus	Publications	Show
Narirutin	Sweet orange	Fruit, Citrus	Publications	Show
Naringenin	Tomato	Vegetables, Fruit vegetables	Publications	Show

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
Naringenin	Naringenin	human	plasma, urine	unchanged	1h-3h	<20 nmol/L	5-10%	C₁₅H₁₂O₅	272.068473486	Detailed Intervention Studies	Publications
Naringenin	Coumaric acid (p-)	rat	urine	Not Available	Not Available	Not Available	Not Available	C₉H₈O₃	164.047344118		Publications
Naringenin	Phloretic acid	in vitro (pig) rat	urine (major)	host-gut microbiota co-metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₃	166.062994182		Publications
Naringenin	3-Phenylpropionic acid	in vitro (pig)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₉H₁₀O₂	150.068079562		Publications
Naringenin	Naringenin-4'-glucuronide	human	plasma (major), urine (major)	host metabolism	Not Available	Not Available	Not Available	C₂₁H₂₀O₁₁	448.100561464		Publications
Naringenin	Naringenin-7-glucuronide	human	plasma (major), urine (major)	host metabolism	Not Available	Not Available	Not Available	C₂₁H₂₀O₁₁	448.100561464		Publications
Naringenin	Naringenin-diglucuronide	human	urine (minor)	host metabolism	Not Available	Not Available	Not Available	C₂₇H₂₈O₁₇	624.5095093		Publications
Naringenin	Naringenin-sulfate	human	plasma (major), urine (major)	host metabolism	Not Available	Not Available	Not Available	C₁₅H₁₂O₈S	352.320095		Publications
Naringenin	Naringenin-sulfoglucuronide	human	plasma (minor)	Not Available	Not Available	Not Available	Not Available	C₂₁H₂₀O₁₄S	528.4459545		Publications
Naringenin	Phloroglucinol	in vitro (human)	Not Available	gut microbiota metabolite	Not Available	Not Available	Not Available	C₆H₆O₃	126.031694053		Publications
Naringenin	Naringenin-glucuronide	human	plasma, urine	host metabolism	1h-3h	50-200 nmol/L	> 90%	C₂₁H₂₀O₁₁	448.100561482	Detailed Intervention Studies	Publications
Naringin	Naringenin	human	plasma, urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₅H₁₂O₅	272.068473486	Detailed Intervention Studies	Publications
Narirutin	Naringenin	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₅H₁₂O₅	272.068473486	Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food Phytochemical	Metabolite	Effect	Value
Orange flavanones	Naringenin	Age	Not studied
Orange flavanones	Naringenin	Bmi	No effect
Orange flavanones	Naringenin	Ethnicity	Not studied
Orange flavanones	Naringenin	Genotype	Not studied
Orange flavanones	Naringenin	Health_status	Not studied
Orange flavanones	Naringenin	Microbiota	Not studied
Orange flavanones	Naringenin	Sex	No effect
Orange flavanones	Naringenin	Smoking	Not studied

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