precursor

Showing entry for Kaempferol 3-O-rutinoside

Identification

PhytoHub ID
PHUB000686
Name
Kaempferol 3-O-rutinoside
Systematic Name
Not Available
Synonyms
  • Kaempferol 3-O-rhamnosyl-glucoside
  • Nicotiflorine
CAS Number
Not Available
Average Mass
594.522
Monoisotopic Mass
594.158470266
Chemical Formula
C27H30O15
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
InChI Key
RTATXGUCZHCSNG-QHWHWDPRSA-N
InChI Identifier
InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
3.07e+00 g/l
LogS (ALOGPS)
-2.29
LogP (ALOGPS)
0.07
Hydrogen Acceptors
15
Hydrogen Donors
9
Rotatable Bond Count
6
Polar Surface Area
245.28999999999996
Refractivity
138.1642
Polarizability
56.55983586888965
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6486860437883792
pKa (strongest acidic)
6.372347889256069
Number of Rings
5
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavonols

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(227.0354,0.08008008);(229.051,0.04304304);(255.0304,0.1961962);(256.0362,0.04604605);(257.0451,0.04604605);(284.0332,0.996997);(285.0402,1.0);(286.0432,0.09409409)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(255.0311,0.02902903);(284.0332,0.59259259);(285.0406,1.0);(286.0437,0.0990991);(593.1521,0.12812813);(594.155,0.02702703)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(129.0549,0.05005005);(147.0656,0.04604605);(287.0551,1.0);(288.0599,0.2962963);(289.0633,0.04404404);(301.0704,0.03703704);(449.1081,0.2992993);(450.1127,0.11111111);(451.1159,0.02702703);(463.1235,0.08008008);(464.1267,0.01701702);(595.1652,0.04604605);(596.1693,0.01401401)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.0552,0.01801802);(147.0656,0.02302302);(287.055,0.49249249);(288.0597,0.15115115);(289.0634,0.02302302);(433.1131,0.04504505);(434.1177,0.01801802);(449.1083,0.54954955);(450.1129,0.21021021);(451.1164,0.04704705);(463.124,0.01501502);(595.1658,1.0);(596.17,0.42942943);(597.1731,0.12612613);(598.1761,0.02102102)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(593.1518,1.0);(594.156,0.4974975);(595.1597,0.14014014);(596.162,0.02502503)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(129.0552,0.06106106);(145.0499,0.02402402);(147.0654,0.02002002);(287.0552,1.0);(288.06,0.31231231);(289.0632,0.05405405);(301.0707,0.12212212);(302.0742,0.02002002);(449.1081,0.01301301);(463.1237,0.03203203)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(85.0264,0.01301301);(127.0395,0.01101101);(129.0552,0.02402402);(287.0554,1.0);(288.0602,0.32432432);(289.0636,0.05205205);(301.0709,0.21021021);(302.0746,0.03703704)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(285.0398,0.01401401);(593.1512,1.0);(594.1557,0.4964965);(595.1589,0.13613614);(596.162,0.02502503)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(127.0396,0.01401401);(129.0552,0.04404404);(145.05,0.02102102);(287.055,1.0);(288.0599,0.31231231);(289.0631,0.04804805);(301.0705,0.17417417);(302.0738,0.03003003)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(284.0331,0.05605606);(285.0406,0.22122122);(286.0458,0.07007007);(299.0565,0.02402402);(593.1525,1.0);(594.1568,0.50850851);(595.1601,0.13813814);(596.1632,0.02402402)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(284.033,0.64664665);(285.0403,1.0);(286.0455,0.30530531);(287.0486,0.04504505);(299.0564,0.04004004);(327.0511,0.02502503);(593.152,0.53753754);(594.1563,0.25825826);(595.1601,0.06806807);(596.1618,0.01301301)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(227.0351,0.03503504);(228.0408,0.01101101);(229.0507,0.02602603);(255.0302,0.07507508);(256.0362,0.05005005);(257.045,0.03903904);(284.033,1.0);(285.04,0.97597598);(286.0453,0.30930931);(287.0496,0.04004004);(299.0564,0.03203203);(327.0518,0.01101101);(593.1521,0.03603604);(594.1566,0.01801802)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.02174,0.00700701);(100.04469,0.00700701);(127.03982,0.00800801);(129.04657,0.00800801);(147.06447,0.00900901);(175.07382,0.00800801);(195.32843,0.00600601);(242.75185,0.00600601);(286.97577,0.00600601);(287.01141,0.01001001);(287.02283,0.01101101);(287.05392,1.0);(287.12009,0.00500501);(288.05981,0.15115115);(289.05453,0.01001001);(289.06693,0.02202202);(289.16852,0.00600601);(306.59937,0.00600601);(431.10126,0.00700701);(449.10559,0.13413413);(450.10751,0.04904905);(451.11484,0.00900901);(531.30927,0.01001001);(595.12524,0.02102102);(595.16901,0.10810811)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(71.00758,0.00900901);(71.04567,0.02302302);(83.04471,0.01701702);(85.01788,0.01301301);(85.02214,0.02302302);(85.02666,0.03803804);(85.03485,0.01701702);(86.02405,0.01101101);(111.00455,0.03403403);(121.02747,0.02202202);(139.02905,0.01701702);(145.06271,0.00900901);(149.02362,0.00900901);(153.00407,0.00800801);(153.01343,0.01701702);(165.01924,0.02402402);(169.44377,0.00900901);(213.01387,0.01701702);(213.06049,0.04404404);(241.04648,0.03303303);(243.06483,0.02202202);(259.05734,0.01501502);(269.0498,0.00800801);(286.78018,0.01001001);(287.0145,0.00800801);(287.02902,0.05505506);(287.05493,1.0);(287.27139,0.00700701);(288.03799,0.01801802);(288.06494,0.09109109);(288.16565,0.01101101);(289.06662,0.03903904);(319.80963,0.00800801);(329.06598,0.00900901)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(69.03683,0.02202202);(71.0471,0.1011011);(83.04407,0.03003003);(85.01743,0.01101101);(85.0287,0.15615616);(97.03361,0.05505506);(111.00698,0.03703704);(111.04429,0.00900901);(121.01797,0.01301301);(121.02976,0.01001001);(133.02744,0.01601602);(153.0164,0.01601602);(161.02492,0.01701702);(165.01692,0.08008008);(166.02222,0.01701702);(189.05322,0.01701702);(203.02641,0.01301301);(213.0419,0.01701702);(213.05284,0.04804805);(231.06825,0.01101101);(235.89172,0.01101101);(241.05382,0.01001001);(245.03891,0.01901902);(246.04321,0.01601602);(259.06726,0.01401401);(267.20721,0.01001001);(286.99716,0.00900901);(287.01959,0.01801802);(287.03064,0.04104104);(287.05685,1.0);(288.05121,0.18518519);(288.06348,0.04604605);(288.0766,0.01001001);(288.54541,0.00900901);(289.0614,0.02802803);(290.64871,0.00900901);(330.05603,0.01601602);(379.34589,0.01701702);(395.0748,0.00900901)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(71.04574,0.00500501);(71.05299,0.01001001);(84.93556,0.00600601);(85.02986,0.04904905);(86.03762,0.00700701);(128.03308,0.01301301);(128.03891,0.00600601);(129.05005,0.02802803);(129.05846,0.01201201);(145.05299,0.00900901);(169.05072,0.00600601);(225.07692,0.00500501);(258.05124,0.00600601);(287.02179,0.02202202);(287.05478,1.0);(287.10413,0.00700701);(288.05502,0.13013013);(289.06027,0.02102102);(299.06094,0.00600601);(383.08698,0.00600601)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(97.02,0.00700701);(129.05511,0.01801802);(145.04765,0.00600601);(165.07486,0.00600601);(194.45802,0.00800801);(287.01501,0.01501502);(287.05472,1.0);(288.05414,0.13713714);(289.05606,0.00700701);(297.64792,0.00800801);(329.06467,0.01201201);(411.42694,0.00700701);(432.05804,0.00700701);(433.1102,0.02902903);(433.13617,0.01001001);(434.12003,0.01501502);(434.15189,0.01001001);(448.93494,0.00600601);(449.03329,0.00800801);(449.0563,0.00800801);(449.07477,0.04904905);(449.1044,0.18718719);(449.11816,0.31631632);(449.70245,0.00600601);(450.10898,0.12512513);(451.10782,0.01201201);(451.12274,0.00700701);(484.60486,0.00600601);(488.13287,0.01201201);(591.91418,0.00600601);(595.06799,0.00700701);(595.08978,0.00700701);(595.12323,0.04304304);(595.16687,0.88988989)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.02204,0.00800801);(85.03019,0.01601602);(97.03287,0.00600601);(127.04507,0.00500501);(129.05487,0.06206206);(133.04564,0.00500501);(143.02789,0.00600601);(147.07137,0.01501502);(156.92757,0.00600601);(248.8381,0.00600601);(287.01846,0.01301301);(287.05484,1.0);(288.04962,0.06706707);(288.06155,0.16716717);(289.05679,0.01501502);(289.06854,0.02102102);(433.11581,0.01501502);(449.09177,0.04404404);(449.11603,0.10610611);(450.11963,0.05205205);(472.26529,0.00800801);(595.13049,0.01301301);(595.16364,0.1021021);(595.18347,0.03203203)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(55.05474,0.01401401);(68.99973,0.01601602);(71.04884,0.01101101);(85.02471,0.05805806);(97.02695,0.01301301);(129.05827,0.01001001);(133.02968,0.00900901);(135.04349,0.01801802);(146.06987,0.01101101);(146.50012,0.01201201);(147.04457,0.01301301);(153.01605,0.03703704);(157.06894,0.01101101);(158.07927,0.01501502);(165.01805,0.03903904);(165.0267,0.02102102);(175.07545,0.02202202);(203.03644,0.01201201);(213.05731,0.01601602);(214.06128,0.01701702);(217.04822,0.01001001);(223.04222,0.01101101);(231.94022,0.01001001);(241.00975,0.01101101);(241.0578,0.01001001);(245.94299,0.01501502);(258.05072,0.01201201);(286.89749,0.01101101);(286.93484,0.00900901);(287.0217,0.01301301);(287.05545,1.0);(287.09866,0.00900901);(288.03351,0.00900901);(288.06213,0.08508509);(289.05594,0.01001001);(300.0585,0.01301301)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(59.11997,0.00800801);(85.0298,0.00700701);(127.03556,0.00800801);(171.06281,0.00800801);(213.07765,0.00900901);(253.05177,0.01001001);(255.08116,0.00600601);(287.02969,0.01201201);(287.05499,0.84784785);(287.76459,0.01301301);(288.03473,0.01601602);(288.05771,0.14614615);(288.76843,0.00800801);(289.06265,0.03203203);(309.11432,0.00800801);(381.44705,0.00900901);(404.09186,0.00800801);(430.70792,0.00600601);(433.07971,0.01201201);(433.10004,0.03403403);(433.12717,0.01701702);(434.11136,0.00600601);(434.1301,0.00900901);(435.10928,0.00600601);(442.79224,0.00700701);(449.06274,0.00600601);(449.10632,0.3983984);(450.10632,0.12112112);(450.12567,0.02302302);(451.07996,0.01301301);(451.1142,0.01701702);(452.11478,0.00800801);(498.10797,0.00800801);(594.4834,0.00600601);(595.16693,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(57.03514,0.01001001);(69.03432,0.00600601);(71.05378,0.01101101);(83.05269,0.01001001);(85.02525,0.02202202);(85.0326,0.02802803);(97.0259,0.00900901);(129.0399,0.00900901);(129.0528,0.05205205);(145.04713,0.01101101);(147.06015,0.00800801);(147.07056,0.00700701);(195.10191,0.00600601);(287.05579,1.0);(287.08658,0.01501502);(288.05997,0.11811812);(289.05042,0.01201201);(371.09488,0.00600601);(377.06699,0.00600601)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(71.0481,0.02302302);(85.02716,0.02302302);(97.03404,0.00500501);(127.03664,0.01001001);(128.5424,0.00500501);(129.05078,0.01301301);(147.06519,0.02002002);(192.77063,0.01001001);(218.42052,0.00600601);(225.08969,0.00800801);(286.97336,0.01001001);(286.98383,0.00800801);(287.01959,0.04204204);(287.05408,1.0);(288.05899,0.15215215);(288.07324,0.02602603);(289.04648,0.01001001);(289.06015,0.00700701);(432.11258,0.00700701);(434.11111,0.00600601);(449.10114,0.13813814);(449.12277,0.01901902);(450.10995,0.03303303);(451.10715,0.00700701);(595.07587,0.00900901);(595.12018,0.01001001);(595.16296,0.09109109);(595.1828,0.04104104)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(71.0506,0.04804805);(85.0293,0.09309309);(129.0554,0.03203203);(153.0191,0.01301301);(165.0204,0.01101101);(287.0551,1.0);(288.0587,0.01301301);(449.1075,0.08508509);(595.1663,0.04004004)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.03766,0.02102102);(129.05092,0.03903904);(145.05251,0.00600601);(147.05563,0.00600601);(147.07625,0.00700701);(231.59682,0.00700701);(237.04878,0.01301301);(255.08195,0.01701702);(286.69162,0.00600601);(287.02252,0.00900901);(287.05557,0.72072072);(287.07709,0.01901902);(287.85278,0.01001001);(288.05768,0.10710711);(288.06506,0.03703704);(289.05933,0.02002002);(290.06241,0.00900901);(309.112,0.01001001);(309.1254,0.01301301);(309.79898,0.01601602);(414.87231,0.01101101);(419.11703,0.00900901);(431.09808,0.00800801);(433.09894,0.01601602);(433.11902,0.03703704);(435.12552,0.00600601);(444.43726,0.00600601);(447.52374,0.00600601);(447.78214,0.00600601);(448.69247,0.00700701);(449.03198,0.00700701);(449.06601,0.02402402);(449.10568,0.48548549);(449.51297,0.01001001);(450.03668,0.01001001);(450.10089,0.07707708);(450.12198,0.04304304);(451.11835,0.00900901);(452.09406,0.01501502);(475.12366,0.00900901);(521.00085,0.00700701);(594.76367,0.01501502);(595.02905,0.00700701);(595.09229,0.01401401);(595.16632,1.0);(595.32367,0.00600601)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(227.0383,0.19319319);(229.0544,0.0990991);(255.0336,0.38738739);(257.0503,0.07307307);(284.0364,0.64764765);(285.0443,0.83683684);(593.1506,1.0)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(255.0305,0.08208208);(284.0322,0.78378378);(285.0406,1.0);(593.1506,0.10710711)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(71.05226,0.01401401);(85.03139,0.01901902);(87.04207,0.00600601);(129.02406,0.00500501);(129.04933,0.01101101);(129.05827,0.01201201);(145.04955,0.04004004);(192.49113,0.00600601);(198.27222,0.00500501);(213.74454,0.00500501);(286.97403,0.00800801);(287.05533,1.0);(288.05304,0.13313313);(288.06735,0.04804805);(288.082,0.00600601);(289.05643,0.01801802);(289.0723,0.00900901);(329.07336,0.01001001);(354.06149,0.00600601);(383.06192,0.00500501);(395.08914,0.00500501)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(255.031,0.029);(284.033,0.593);(285.041,1.0);(286.044,0.099);(593.152,0.128);(594.155,0.027)
LC-MS/MSLC-ESI-UNKNOWNNegativehighView Spectrum(227.035,0.08);(229.051,0.043);(255.03,0.196);(256.036,0.046);(257.045,0.046);(284.033,0.997);(285.04,1.0);(286.043,0.094)
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.065016,0.00006106);(50.119696,0.0000523);(50.277997,0.00006473);(50.450606,0.00005404);(50.515137,0.00005241);(50.755115,0.00006124);(50.789287,0.00005175);(50.943397,0.00006757);(50.971885,0.00004851);(51.193203,0.00009712);(51.310025,0.00006906);(51.333474,0.00004833);(51.3629,0.00005);(51.390802,0.00005319);(51.88266,0.00006273);(51.986502,0.00006909);(52.258248,0.00003421);(52.705056,0.00004417);(52.967029,0.00008908);(53.086116,0.00004322);(53.313824,0.00005267);(53.605954,0.00009017);(53.795888,0.0000586);(54.395785,0.00005259);(54.810514,0.00008718);(55.081444,0.00006908);(55.186762,0.00003805);(55.320779,0.00005295);(55.372998,0.00004502);(55.727757,0.00005387);(56.14057,0.00005443);(56.340316,0.00007108);(56.764607,0.00005047);(57.027355,0.00005596);(57.089943,0.00005247);(57.182384,0.00005086);(57.478135,0.00004834);(57.828772,0.00005133);(58.287993,0.00005598);(58.422876,0.00005344);(58.424861,0.00005898);(58.836439,0.00007169);(58.87233,0.00005655);(59.534408,0.00003663);(59.76864,0.00005967);(60.696594,0.00004693);(61.191402,0.00004288);(61.886248,0.0000858);(61.898208,0.00006213);(62.245913,0.00004523);(62.472211,0.00003602);(62.485212,0.000044);(63.092878,0.00003976);(63.202724,0.00007733);(63.2616,0.00005311);(63.290347,0.0000596);(63.908507,0.00004055);(64.072446,0.00005154);(64.478932,0.00008644);(64.816062,0.00006199);(67.133347,0.00005207);(68.100728,0.00008763);(68.360372,0.00005598);(69.14996,0.00009676);(69.38833,0.00005645);(69.743753,0.00005132);(69.753184,0.00006736);(69.794573,0.00005355);(70.344478,0.00004896);(70.637554,0.00005112);(71.250538,0.00005074);(71.72394,0.00005404);(71.731789,0.00007675);(71.910238,0.0000497);(72.113419,0.00004156);(72.161668,0.00003815);(72.743457,0.00008754);(73.053249,0.00005934);(73.532656,0.00004365);(75.490777,0.0000543);(75.796921,0.00004667);(76.091192,0.00009617);(77.373253,0.00004071);(78.518205,0.00004063);(78.715779,0.00004605);(79.090114,0.00004343);(79.557348,0.00007784);(79.958949,0.00005538);(80.338389,0.0000595);(81.042022,0.00007397);(81.064408,0.00008474);(81.209917,0.000046);(81.7596,0.00008634);(81.97822,0.00006184);(83.003781,0.00008522);(83.676803,0.0000849);(84.696669,0.00004809);(84.83785,0.00005182);(84.854076,0.00003907);(84.868873,0.00009269);(86.233295,0.00006262);(86.51051,0.00006051);(88.089462,0.00005671);(88.736571,0.00004775);(88.95032,0.00004338);(89.041407,0.00118403);(90.168749,0.00004926);(90.373793,0.00005904);(90.589977,0.0000465);(90.835697,0.00005257);(90.892233,0.00008963);(91.713081,0.00007029);(92.378695,0.00006518);(93.791486,0.00005841);(94.979501,0.00034828);(95.572625,0.00006898);(95.782133,0.00006265);(96.201664,0.00007395);(96.591951,0.00005976);(96.758104,0.00010323);(96.958788,0.00047053);(97.713526,0.00010717);(98.240577,0.00004081);(98.549205,0.00010209);(99.420722,0.00065388);(99.424178,0.00011826);(99.974051,0.00006914);(100.679332,0.00006145);(100.75099,0.0000324);(101.016743,0.00004311);(101.033903,0.00006324);(102.02858,0.00006711);(102.113994,0.00005417);(102.124916,0.00005059);(102.746769,0.00006124);(104.371647,0.00004699);(105.572997,0.00005756);(105.640797,0.00004789);(105.773865,0.00005681);(106.293115,0.00005099);(106.339245,0.00004489);(107.700143,0.00004091);(108.209645,0.00008753);(108.477833,0.0000852);(109.020928,0.00006748);(109.437088,0.00003943);(109.701772,0.00004133);(110.387261,0.00005025);(110.418942,0.0000482);(111.628109,0.00005535);(112.094939,0.00007178);(112.162643,0.00005539);(112.170144,0.00005942);(113.974233,0.0001339);(114.026807,0.00005762);(114.904527,0.00005273);(115.363978,0.00006099);(115.395417,0.00005929);(115.514453,0.00003762);(115.653141,0.00003941);(115.710053,0.00004806);(115.904806,0.00006647);(118.019501,0.00007867);(118.09929,0.00005605);(118.97218,0.00007388);(119.299289,0.00011056);(119.359031,0.00005274);(119.800197,0.0000646);(121.495535,0.00003863);(121.801605,0.00004905);(123.471928,0.00004658);(125.023135,0.00011228);(128.643823,0.00005155);(129.232595,0.00003839);(130.383055,0.00004874);(131.18126,0.00005426);(134.404546,0.00004694);(134.417243,0.00004712);(134.982148,0.00004881);(135.651524,0.00006083);(135.944013,0.00012205);(139.752523,0.00005526);(144.733549,0.00005394);(144.912659,0.00004196);(145.578834,0.00006185);(149.002078,0.00006265);(149.256818,0.00006231);(149.919617,0.00004553);(151.002565,0.01350055);(152.005842,0.00007146);(152.064756,0.00006572);(153.018156,0.00006319);(155.001589,0.00008181);(160.250397,0.00008514);(160.634717,0.00007312);(161.58769,0.00005439);(162.43257,0.00005983);(166.917004,0.00012416);(167.848319,0.00008891);(169.013303,0.00083905);(170.46631,0.0000606);(170.783618,0.00004647);(171.219601,0.00005078);(171.835883,0.00005507);(172.442182,0.00005327);(172.95262,0.00004333);(174.031203,0.00054677);(174.45374,0.00008523);(175.039232,0.00035933);(175.440408,0.00005232);(175.653535,0.00006047);(178.997769,0.00333312);(180.188461,0.00009835);(182.60051,0.00007889);(182.739749,0.00007183);(187.5688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LC-MS/MSLC-ESI-QFTPositivemediumView Spectrum(50.183284,0.00002799);(50.422698,0.00003714);(50.49199,0.00002216);(50.573347,0.00002639);(50.740051,0.00002747);(51.218661,0.00002429);(51.561813,0.00002104);(51.681737,0.00002851);(51.948169,0.0000325);(52.196218,0.00003434);(52.247693,0.00002767);(52.326874,0.000102);(52.427659,0.00003467);(52.549768,0.00003429);(53.098467,0.00002649);(53.294538,0.00003111);(53.349278,0.00002787);(54.111297,0.00002707);(55.00247,0.00006709);(55.110861,0.00001934);(55.170431,0.00002923);(55.450881,0.00002894);(55.543023,0.00002104);(55.705401,0.00003341);(55.7316,0.00004085);(55.767761,0.00005677);(56.056152,0.00002245);(57.03425,0.00640262);(57.047135,0.00002708);(57.070608,0.00021944);(57.138371,0.00003424);(57.179212,0.00002187);(57.47494,0.00003025);(57.689858,0.00005676);(57.806034,0.00002302);(57.842063,0.00002464);(58.097081,0.0000193);(58.341782,0.00001902);(59.543713,0.00002896);(60.020716,0.00002871);(60.06119,0.00002269);(60.280261,0.00002055);(60.341244,0.00002332);(60.775739,0.00003359);(61.029061,0.00058953);(61.25761,0.00008762);(61.334038,0.00002523);(61.653099,0.00002256);(62.149425,0.00002153);(62.188975,0.00001928);(62.549868,0.00002857);(62.656983,0.0000252);(62.712196,0.00002157);(62.847608,0.00002605);(62.98424,0.00002003);(63.098553,0.00002367);(63.137345,0.00002503);(63.414998,0.00002266);(63.616245,0.00001858);(63.657965,0.00002437);(63.71049,0.00003538);(63.741562,0.0000325);(63.854203,0.00003938);(63.976818,0.00002045);(64.324463,0.0000355);(64.506381,0.00002764);(64.604828,0.00001995);(64.911102,0.0000273);(65.095136,0.00001891);(65.145441,0.00001925);(65.232512,0.00002417);(65.399291,0.00002011);(65.810744,0.00009565);(65.89048,0.0000526);(66.340289,0.00002749);(66.858603,0.0000219);(67.062988,0.00003091);(67.19437,0.00003074);(67.322019,0.00002104);(67.436006,0.00002681);(67.689101,0.00002874);(67.848847,0.00002748);(68.181043,0.00002017);(68.497061,0.00010064);(68.735953,0.00002067);(68.99723,0.00002471);(69.034148,0.00117924);(69.565954,0.00002487);(69.83342,0.00002822);(70.239344,0.00001906);(70.880343,0.00002587);(71.030405,0.00003016);(71.049818,0.07041416);(71.0523,0.00007479);(71.086142,0.00008367);(71.219827,0.00003077);(71.231388,0.00003111);(71.904293,0.00003255);(71.922256,0.00002627);(72.053158,0.00196129);(73.029015,0.00065885);(73.047397,0.00058644);(73.792172,0.00003278);(73.850803,0.00003873);(73.913613,0.00001855);(73.947058,0.00002792);(74.129977,0.00002588);(74.378512,0.00001972);(74.38196,0.000078);(75.044641,0.00394806);(75.230068,0.00002178);(75.487639,0.00002412);(75.606096,0.00002061);(75.62026,0.00002439);(76.743203,0.00002326);(76.79101,0.00003431);(76.977021,0.00002416);(77.092765,0.00003648);(77.166223,0.00003149);(77.172464,0.00002698);(77.729086,0.00002288);(77.948374,0.00002692);(78.115462,0.00002338);(78.288823,0.00002557);(78.542046,0.00003123);(78.714193,0.00001944);(79.021748,0.0008695);(79.268111,0.00002916);(79.399902,0.00002657);(79.444732,0.00003674);(79.534111,0.00003402);(80.426268,0.00002928);(80.567137,0.0000194);(80.770093,0.00001962);(80.913776,0.00003387);(81.03394,0.00002307);(81.104767,0.0000265);(81.389221,0.0000411);(82.052787,0.00003454);(82.559389,0.00002476);(83.049686,0.00177398);(83.070861,0.00003257);(83.309262,0.0000219);(83.991307,0.00002111);(84.148256,0.00002222);(84.760332,0.00006689);(85.028991,0.11956348);(85.032244,0.00054039);(85.470474,0.00008709);(85.541239,0.00002112);(85.817318,0.00002714);(85.997547,0.00003502);(86.002348,0.00002034);(86.032246,0.00460492);(86.035032,0.00002305);(87.044541,0.00342918);(87.047315,0.00002439);(88.331515,0.00005588);(88.95392,0.00002441);(89.060208,0.00239906);(89.07294,0.0000187);(89.682227,0.00002948);(89.803551,0.00006433);(89.831572,0.00001865);(90.063516,0.00002273);(90.189794,0.00003005);(91.039405,0.00239564);(91.057793,0.00053608);(91.270428,0.00003271);(92.146798,0.00003354);(93.197462,0.00002983);(93.885056,0.0000188);(94.750218,0.00002983);(95.075399,0.00001946);(95.78287,0.00003671);(97.028791,0.00514195);(98.789391,0.00002798);(98.942493,0.00001945);(99.044428,0.00111827);(99.200873,0.00002136);(100.290894,0.00003304);(100.917809,0.00001902);(101.060323,0.00008621);(101.228773,0.0000221);(102.100383,0.00002736);(102.298627,0.00002033);(102.782125,0.0000347);(103.039275,0.00048226);(103.320486,0.00002267);(104.631484,0.00002308);(105.294204,0.0000225);(106.336877,0.00002388);(106.343876,0.00002052);(107.337715,0.00002836);(107.673389,0.00002094);(107.919889,0.0000278);(108.117362,0.0000281);(109.02866,0.0002089);(109.532264,0.00002743);(110.383417,0.00001888);(111.04425,0.00206855);(111.455746,0.00002682);(112.047621,0.0000582);(113.1285,0.00003389);(113.344105,0.00002016);(113.64276,0.00001995);(113.684023,0.00002152);(114.313614,0.0000253);(114.966168,0.00002007);(115.057489,0.00002751);(115.110033,0.00003512);(115.139486,0.00003468);(115.91434,0.00001948);(116.378481,0.00002532);(116.920681,0.00002291);(117.083146,0.00003927);(117.102014,0.00003485);(117.20695,0.0000262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LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.44967,0.00010055);(50.494982,0.00010947);(50.839636,0.00008091);(51.024702,0.0001913);(51.034206,0.00008163);(51.283147,0.00007862);(51.431149,0.00010106);(51.801123,0.00009196);(52.071991,0.00009445);(52.119786,0.00008322);(52.38033,0.00009166);(52.883598,0.0000624);(53.380552,0.00008196);(53.499729,0.00009961);(53.935798,0.0000864);(54.045882,0.00008357);(55.926198,0.00007729);(56.356785,0.00008559);(57.754043,0.0000918);(57.784834,0.00007969);(58.201566,0.00011393);(58.369374,0.00008767);(58.792476,0.00011742);(58.87958,0.00010203);(59.273048,0.00004986);(59.698859,0.00004947);(60.049133,0.00004521);(60.149091,0.00009774);(60.293441,0.00008423);(62.195975,0.00010406);(62.214561,0.00008594);(62.35257,0.00018152);(62.8514,0.00012956);(63.079475,0.00013759);(63.131173,0.00011272);(63.13353,0.00009392);(63.453922,0.00009404);(64.208407,0.00008278);(64.478873,0.00010447);(64.883988,0.0001025);(64.885778,0.00010926);(65.131799,0.0002154);(65.776361,0.00020286);(65.78056,0.00010444);(67.406158,0.00009066);(69.020499,0.00011664);(69.726972,0.00010558);(69.969729,0.00009807);(70.517518,0.0001052);(70.602819,0.00004899);(71.133554,0.00133164);(71.2874,0.0001978);(71.38698,0.00005771);(71.401307,0.00012209);(72.063452,0.00009295);(72.687866,0.0001154);(72.777421,0.00007846);(73.622141,0.00008814);(73.73335,0.0000901);(73.920809,0.00009766);(74.829176,0.00005131);(75.029686,0.00010639);(75.206081,0.00011415);(75.665963,0.00010065);(76.49467,0.00009324);(77.063727,0.00009422);(77.676311,0.00009416);(79.153663,0.00004798);(79.585607,0.00011554);(80.747065,0.00008562);(81.426529,0.00009697);(81.741303,0.00004735);(81.862095,0.00011747);(81.976398,0.0000855);(82.684097,0.00009709);(82.757709,0.00008781);(82.873035,0.00008855);(82.890152,0.000085);(83.012199,0.0000602);(83.985187,0.00012437);(84.054585,0.00020704);(88.041203,0.00009177);(88.101477,0.00007828);(88.390494,0.00010294);(88.508682,0.00008694);(89.041442,0.0043567);(89.066431,0.00009748);(89.421899,0.00007473);(89.536941,0.00008305);(89.762987,0.00016641);(89.803047,0.00009727);(93.558303,0.00011342);(94.117501,0.00012239);(94.182807,0.00009255);(94.979663,0.00012766);(95.363542,0.00020008);(95.778921,0.00011982);(96.239114,0.00016358);(96.95898,0.00022499);(98.225029,0.00008953);(99.853234,0.00014878);(100.727126,0.00011939);(101.159316,0.00008447);(102.414805,0.00009052);(102.597722,0.00021169);(103.364501,0.0001138);(104.500278,0.00010218);(105.146847,0.00010993);(106.180746,0.00010372);(107.012582,0.00031796);(107.938721,0.00011216);(108.372293,0.00019522);(108.496394,0.00009471);(108.717969,0.0000923);(109.040937,0.00009525);(109.214272,0.0000877);(109.482539,0.0000491);(109.703179,0.00005787);(113.467317,0.0002074);(113.650877,0.00010719);(115.361829,0.00012871);(116.835542,0.00008032);(119.178135,0.00011521);(120.296444,0.00010991);(120.970038,0.00008168);(121.119653,0.00007881);(121.186196,0.00011083);(121.724371,0.00010811);(122.797155,0.00010241);(123.786228,0.00013625);(124.647083,0.00009277);(124.673266,0.0000585);(125.023091,0.00147269);(125.096581,0.00007849);(125.707602,0.00010802);(125.859408,0.00012036);(127.852343,0.00010265);(128.780117,0.00009237);(129.064769,0.00004975);(130.083699,0.00008118);(130.741108,0.00010861);(132.021305,0.00007604);(133.124769,0.00011598);(133.746392,0.00013013);(138.150642,0.00010874);(139.763148,0.00022249);(140.097638,0.00019941);(140.322913,0.00010634);(140.568595,0.0000543);(140.83294,0.00016073);(142.721746,0.00020148);(143.850933,0.00010428);(145.698445,0.00010982);(145.748701,0.00020944);(148.551862,0.00008968);(150.709755,0.00005195);(150.924401,0.0001133);(150.952069,0.00017708);(151.00262,0.01884943);(153.01833,0.0005164);(155.828956,0.00011496);(157.451313,0.00013176);(161.409223,0.00009443);(163.002774,0.00230258);(163.364649,0.00004723);(163.575532,0.00009734);(166.693469,0.00011153);(166.860047,0.00008859);(167.320202,0.0000544);(167.748014,0.00006167);(169.013331,0.00028889);(172.21152,0.00010766);(172.668344,0.00008996);(174.031269,0.00058348);(174.21573,0.00011739);(175.039225,0.00035634);(176.707326,0.00018329);(178.997723,0.00242187);(179.010682,0.00010442);(180.538535,0.00008986);(182.608452,0.00005139);(183.187605,0.00011373);(183.605046,0.00011626);(185.765946,0.00010543);(186.37259,0.0000903);(187.038948,0.00008946);(187.105822,0.0001735);(187.329315,0.00012026);(187.877484,0.00009557);(189.055074,0.00006713);(194.422892,0.00005751);(197.060129,0.00046872);(197.357846,0.00005262);(198.189497,0.00008874);(199.039127,0.00043289);(201.705149,0.00010626);(202.35689,0.00011599);(203.739426,0.00006422);(207.029484,0.00009956);(208.246163,0.00009057);(208.812497,0.00022663);(209.340858,0.00013922);(212.914631,0.00188397);(212.927849,0.00885978);(212.933918,0.01012564);(212.940558,0.00855744);(213.055005,0.00115934);(213.475781,0.00010879);(217.050022,0.00006127);(219.577004,0.00010455);(220.744816,0.00004411);(222.053403,0.00005282);(222.125108,0.00013795);(223.985247,0.00013523);(227.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LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.013876,0.00017373);(50.093848,0.00026557);(50.41191,0.00012456);(50.955485,0.00012923);(51.200688,0.00013291);(51.703368,0.00029111);(51.78734,0.00014261);(51.838721,0.00012731);(51.995429,0.00026579);(52.966603,0.00011126);(53.108361,0.00011664);(53.262633,0.00011795);(54.469639,0.00006176);(54.896312,0.00015752);(55.217062,0.00014232);(55.257286,0.00012356);(55.266438,0.00006984);(55.296274,0.00005897);(55.337302,0.00016803);(55.93067,0.00024686);(56.184278,0.00012362);(56.192063,0.00011639);(56.548357,0.00024626);(56.869098,0.00010022);(57.230975,0.0002315);(57.939063,0.00028546);(58.352859,0.00015799);(58.421148,0.00011413);(58.546512,0.0001293);(58.701431,0.00006303);(58.878626,0.00012826);(58.889845,0.00006327);(58.920402,0.00011297);(59.012549,0.00011668);(59.20665,0.0002434);(59.439779,0.00024815);(60.153719,0.0001352);(60.730896,0.00011148);(60.768826,0.00005852);(61.521206,0.00009862);(61.541897,0.00010376);(61.63358,0.00012498);(62.005388,0.00014152);(62.277039,0.00010909);(62.552686,0.00014413);(62.799037,0.00011958);(63.022667,0.00046433);(63.110696,0.00005883);(64.283142,0.00012818);(64.581247,0.00025786);(64.604459,0.00010672);(64.95244,0.00007279);(65.002001,0.00043183);(65.172675,0.00013041);(65.44863,0.00012882);(65.735017,0.00010164);(65.797999,0.00013372);(66.661537,0.0001078);(67.11735,0.00006476);(67.201317,0.00014094);(67.235921,0.00010199);(68.247196,0.00015427);(68.314559,0.00013672);(69.853384,0.00010545);(70.016782,0.00014673);(70.436517,0.00012208);(70.785705,0.00011933);(71.133578,0.00072636);(71.135469,0.00005918);(71.363083,0.00009851);(71.930239,0.0001397);(72.120585,0.00011228);(72.252321,0.00012788);(72.264803,0.00011169);(72.676207,0.00019957);(72.74486,0.00010162);(72.954463,0.00011229);(73.316122,0.00011582);(73.37519,0.00013809);(73.559696,0.00013989);(73.868706,0.00015012);(73.878238,0.00012033);(74.063665,0.00017753);(74.136202,0.00010803);(74.319213,0.00025704);(74.408374,0.00012818);(75.811232,0.00015041);(76.122482,0.00012071);(76.352966,0.00015005);(76.559382,0.00012844);(78.22154,0.00024825);(78.736088,0.0002299);(80.590765,0.00009243);(80.598074,0.00013569);(80.624541,0.00025209);(81.129505,0.00012095);(82.225493,0.00014131);(82.367409,0.0001359);(82.791016,0.00006797);(82.93454,0.00012856);(83.012571,0.00091462);(84.113122,0.00028936);(84.129021,0.0000594);(84.139695,0.00011357);(84.484389,0.00011385);(84.811388,0.00013404);(86.30637,0.00014119);(86.690034,0.00012305);(86.867781,0.00014878);(87.088112,0.0001034);(87.8847,0.00013389);(88.693031,0.00025135);(88.778661,0.00014349);(89.002097,0.00010764);(89.041503,0.00710344);(89.092989,0.00015546);(89.333071,0.00016529);(89.407433,0.00013838);(89.802439,0.00024456);(90.364383,0.00014767);(90.570888,0.00011144);(90.576826,0.00015829);(91.572362,0.00010412);(92.032543,0.00013008);(92.411655,0.00013648);(93.033303,0.0041236);(94.141044,0.00013073);(94.979456,0.00008289);(95.168491,0.00012257);(95.239307,0.0001356);(95.459202,0.00011172);(95.837834,0.00009856);(96.144154,0.00008996);(96.958753,0.00036023);(97.451281,0.00010466);(97.82791,0.00015747);(97.940829,0.00023993);(98.059346,0.00013553);(99.035765,0.00013999);(99.08944,0.00014762);(99.783056,0.00012972);(100.676193,0.00012525);(102.238034,0.000249);(103.258831,0.0001924);(103.328403,0.00010659);(105.86677,0.00012697);(107.012686,0.00767283);(108.175137,0.00014928);(108.305512,0.0001308);(108.397222,0.00012573);(109.02846,0.00028788);(109.403013,0.00018353);(110.475748,0.00013228);(112.370081,0.00016392);(113.175698,0.000105);(114.413186,0.0001183);(114.702958,0.00011648);(115.280966,0.00011321);(116.20286,0.0001353);(116.78262,0.00011247);(117.033671,0.00008766);(117.481505,0.00014667);(117.694601,0.0001993);(118.419977,0.00007704);(119.013081,0.00007687);(121.476124,0.00013309);(121.944789,0.000133);(123.608406,0.0001594);(124.780338,0.00015245);(125.023266,0.00093414);(125.578663,0.00012238);(126.308464,0.00013017);(126.696588,0.00012908);(127.096807,0.00011738);(130.610771,0.00025651);(132.021315,0.00009024);(133.973098,0.00010183);(135.007714,0.0059056);(136.010401,0.00011276);(136.344633,0.0001075);(137.023841,0.00014802);(137.106513,0.00015854);(137.362095,0.00017378);(138.138198,0.00013062);(140.14449,0.00015086);(141.531753,0.0001568);(143.049406,0.00015523);(144.040779,0.00017175);(144.175286,0.00017122);(145.200708,0.0001663);(145.275438,0.00013195);(145.434591,0.00007017);(147.852303,0.00007138);(148.015497,0.00009871);(148.239102,0.00011048);(148.281101,0.0001405);(151.002572,0.02765839);(152.005733,0.00008795);(152.203716,0.00017524);(152.489296,0.00010523);(153.018311,0.00177265);(154.22552,0.0000767);(159.044424,0.00146671);(162.008547,0.00013436);(163.002623,0.02936827);(164.005772,0.0000947);(164.011302,0.00016629);(165.018475,0.00421663);(167.00734,0.00018972);(167.021823,0.00014737);(167.049281,0.00026105);(167.502845,0.00012204);(167.533407,0.00011785);(169.014213,0.00028591);(169.065116,0.00465509);(170.005324,0.00014337);(170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LC-MS/MSLC-ESI-QFTPositivemediumView Spectrum(50.166517,0.00007285);(50.243038,0.00005143);(50.445449,0.00006954);(50.488408,0.00006283);(50.556574,0.00004291);(50.810044,0.00007458);(50.901344,0.00006201);(51.221432,0.00004902);(51.262407,0.00004745);(51.349646,0.00004652);(51.393562,0.00016131);(51.474943,0.00030712);(51.542616,0.00005829);(51.874856,0.00004832);(52.006052,0.00005034);(52.017126,0.00004256);(52.061074,0.00005612);(52.167907,0.00004864);(52.34749,0.00009445);(52.522406,0.000058);(52.574499,0.00008219);(52.948991,0.00008982);(53.044706,0.00004949);(53.573373,0.00011152);(53.60987,0.00007116);(53.692575,0.00004405);(53.784244,0.00004586);(53.868304,0.00008218);(53.901446,0.00005224);(53.910126,0.00008316);(54.169074,0.00006608);(54.465334,0.00008925);(54.694199,0.00005242);(54.698888,0.000047);(55.028133,0.00008475);(55.055016,0.00007594);(55.550763,0.0000578);(55.711177,0.00005525);(56.60411,0.00004974);(56.623129,0.00004344);(56.780632,0.00004035);(57.034222,0.01419188);(57.070584,0.00042962);(57.291184,0.00007319);(57.340669,0.00004755);(57.550369,0.00008132);(57.581049,0.00004272);(57.604568,0.00009045);(57.778093,0.00007733);(57.967322,0.00007627);(58.040555,0.0000963);(58.079306,0.00008937);(58.186885,0.00008698);(58.296377,0.0000495);(58.311397,0.00004893);(58.448434,0.00007125);(58.474813,0.00005072);(58.515744,0.00008159);(58.743653,0.00004909);(59.049861,0.00012136);(59.331682,0.00007901);(59.581439,0.00005445);(60.074629,0.00005398);(60.143001,0.00004829);(60.371548,0.00010066);(61.029112,0.00247744);(61.044516,0.00005201);(61.200512,0.00005332);(61.27886,0.0000775);(61.527511,0.00004408);(61.703221,0.0000524);(61.783467,0.00005084);(62.093929,0.0000651);(62.329148,0.00004727);(62.430499,0.00004394);(62.604626,0.00008487);(62.614149,0.00007305);(63.094674,0.00007288);(63.154408,0.0000541);(63.560359,0.00007056);(63.876646,0.00007674);(64.026609,0.00005463);(64.408653,0.0000514);(64.606003,0.00008513);(64.743869,0.00004766);(64.746122,0.00008156);(64.8242,0.0000936);(65.152744,0.00006426);(65.255868,0.000085);(65.263624,0.00004706);(65.695527,0.00006183);(65.914641,0.00010379);(65.937326,0.00004718);(66.257673,0.00008423);(66.431214,0.0000582);(66.826126,0.00008078);(67.135941,0.00009001);(67.345785,0.00007675);(67.637148,0.00005426);(67.788254,0.00006745);(67.920484,0.00005692);(68.659227,0.00004829);(68.727754,0.0000728);(69.034165,0.00398907);(69.221034,0.00005214);(69.988437,0.00005159);(70.139283,0.00007912);(70.199027,0.0000524);(70.43928,0.00005435);(71.049809,0.12982251);(71.086046,0.00005066);(71.104765,0.00008696);(71.7086,0.00006941);(72.006162,0.00009881);(72.053146,0.00284786);(72.234443,0.00005242);(72.443565,0.0000954);(72.643653,0.00004666);(72.73963,0.00010228);(72.870567,0.00006919);(73.029088,0.00216565);(73.047438,0.00128977);(73.068602,0.00016097);(73.15531,0.00009755);(73.836516,0.0000643);(73.873711,0.0000498);(73.987708,0.00004747);(74.050227,0.00007639);(75.044679,0.00318901);(75.168188,0.00009933);(76.345595,0.00005497);(77.310324,0.00004096);(77.540677,0.0000857);(77.557967,0.00005282);(77.592937,0.00005597);(77.620334,0.00006942);(78.608149,0.00007261);(79.021845,0.00029938);(79.289515,0.00023069);(79.392823,0.00004341);(79.534238,0.00011243);(80.915756,0.00006359);(81.03404,0.00119629);(81.391173,0.0000902);(82.245794,0.00009117);(82.798306,0.00007756);(82.880012,0.00008864);(82.94867,0.00007011);(83.04967,0.00244677);(83.712395,0.00008137);(84.242911,0.00006409);(84.810642,0.0000525);(85.028994,0.17947364);(85.077612,0.000057);(85.208442,0.00026156);(86.032298,0.00583565);(86.464316,0.00008299);(87.044563,0.00450585);(87.425667,0.00004616);(87.951903,0.00009301);(88.995768,0.000088);(89.060161,0.00249603);(89.099295,0.0000751);(89.283776,0.00008708);(89.288699,0.00005213);(89.374394,0.00004533);(89.383449,0.0000541);(89.537803,0.00004733);(89.72699,0.00004573);(89.88743,0.00010581);(90.16893,0.00011805);(90.784346,0.00004891);(90.850053,0.00006916);(90.884018,0.00005454);(91.039436,0.00273269);(91.057841,0.00180464);(91.433842,0.00006495);(91.716837,0.00004627);(91.91409,0.000098);(92.395351,0.00004377);(92.457819,0.00007902);(92.564816,0.00004237);(92.86421,0.00009033);(93.755481,0.0000812);(93.945662,0.00006865);(94.620657,0.00005133);(94.823821,0.00007827);(95.951969,0.00004248);(96.197076,0.00023272);(96.375165,0.00025115);(96.9267,0.00006356);(97.028802,0.01195672);(97.233915,0.00009577);(97.468506,0.00007187);(98.032022,0.00007201);(99.044436,0.00213385);(100.121988,0.00009362);(100.341124,0.00006292);(100.432522,0.00008148);(100.559361,0.00005329);(101.193412,0.00009614);(101.983591,0.00004865);(102.021304,0.00005189);(103.634736,0.00009217);(104.50592,0.00006172);(104.918126,0.00008474);(105.413395,0.00007719);(108.744359,0.00004807);(108.80465,0.00007316);(109.028643,0.00092281);(110.471319,0.00004516);(111.044379,0.0019089);(111.520226,0.00005526);(111.849833,0.00007589);(112.706816,0.00008835);(113.439464,0.00007354);(113.465954,0.0000832);(113.829138,0.000079);(113.937743,0.00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LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.263728,0.00010621);(50.393345,0.00008627);(50.793696,0.00004756);(51.103762,0.00011844);(51.272474,0.00005499);(51.32161,0.00007621);(51.378897,0.00029954);(51.436125,0.0000646);(51.563872,0.00009857);(51.725487,0.00008014);(51.736466,0.00020817);(51.826637,0.00007937);(52.0697,0.00009388);(52.122036,0.00006372);(52.217573,0.00006905);(52.304082,0.00006518);(52.42439,0.00006841);(52.514572,0.00008783);(52.586318,0.00006731);(52.750667,0.00010905);(52.808576,0.0000929);(53.026286,0.00006353);(53.039329,0.00079791);(53.084742,0.0001892);(53.127341,0.0000801);(53.240028,0.00011723);(53.320986,0.00008557);(53.404704,0.00006559);(53.701854,0.00006623);(53.785337,0.00007319);(53.951195,0.00009063);(54.042767,0.00005854);(54.149954,0.00010627);(54.25126,0.00010374);(54.490954,0.00005851);(54.844526,0.00008832);(55.018535,0.00036148);(55.054926,0.00062346);(55.091935,0.00010745);(55.364988,0.00011052);(55.669972,0.00010527);(55.696296,0.00011113);(55.875016,0.00011312);(56.421683,0.00010332);(56.864288,0.00010614);(56.876272,0.00006554);(57.034241,0.02558063);(57.070611,0.00042957);(57.894491,0.00006319);(58.07999,0.00010444);(58.241222,0.000077);(58.308336,0.00005444);(58.408445,0.00009105);(58.447679,0.00008383);(58.832381,0.00036314);(59.049855,0.0002797);(59.066505,0.00006518);(59.496087,0.00010293);(60.176751,0.00019981);(60.208906,0.00007068);(60.47287,0.00006627);(60.823604,0.00005854);(60.89518,0.00021175);(61.029127,0.0077856);(61.184292,0.00005585);(61.185346,0.00007803);(61.486598,0.00009209);(61.655824,0.0001009);(61.71276,0.00011388);(61.746555,0.00005168);(61.839348,0.00007862);(62.922272,0.00010889);(63.885035,0.00005859);(63.951213,0.0000722);(64.035362,0.00009733);(64.076281,0.00010249);(64.306629,0.00005987);(64.772377,0.0000578);(65.125916,0.00008601);(65.457295,0.00005345);(65.778659,0.00010041);(65.928306,0.00022428);(66.165238,0.00011064);(66.798931,0.00008826);(66.824696,0.00010637);(67.371404,0.00008544);(67.4435,0.00006488);(67.501775,0.0000893);(67.559978,0.00007266);(68.055454,0.00007092);(68.196251,0.00010488);(68.619963,0.00005377);(68.748598,0.0000733);(68.834122,0.00009178);(69.034158,0.01214264);(69.211274,0.00012276);(69.494871,0.0000722);(69.573759,0.00005678);(69.667358,0.00009053);(69.687302,0.00011064);(69.800362,0.00010133);(69.830365,0.0001131);(69.868968,0.00007565);(70.024615,0.00007017);(70.201704,0.00009096);(70.259552,0.00006512);(70.423055,0.00006525);(70.616982,0.00005403);(70.911361,0.00006237);(71.049821,0.16262895);(71.086325,0.0000746);(71.602496,0.00009108);(72.053112,0.00250403);(72.174547,0.00010252);(72.619577,0.00010723);(72.731568,0.00010622);(72.768765,0.00009042);(72.777517,0.00020555);(72.814772,0.00006112);(72.830693,0.00008882);(72.842894,0.00008199);(73.029028,0.00469628);(73.047395,0.00237563);(73.242974,0.00007156);(73.353871,0.0000872);(73.833205,0.00009221);(73.933783,0.00006291);(74.076179,0.00009967);(74.332965,0.00008803);(74.750699,0.00006233);(75.044668,0.00319288);(75.153421,0.00012256);(75.479913,0.00009818);(75.607936,0.00006931);(75.965502,0.0000735);(76.198236,0.00006515);(76.317734,0.00009105);(76.332296,0.00007157);(76.566433,0.00006408);(76.819801,0.00012685);(77.097482,0.00006937);(77.198708,0.00005324);(78.391629,0.00007944);(78.673552,0.00009523);(79.021785,0.00057859);(79.463871,0.00007111);(79.98397,0.00005904);(80.306283,0.00013212);(80.555427,0.00012262);(80.696452,0.00011182);(80.925855,0.00009852);(81.034044,0.00441627);(81.970245,0.00011242);(82.339961,0.00010769);(83.049672,0.00418978);(83.55296,0.00005946);(84.446288,0.00009003);(84.679823,0.00010719);(84.76656,0.00007326);(85.028986,0.2018127);(85.277232,0.00011626);(86.032277,0.00658773);(87.044541,0.00528016);(87.172227,0.00007294);(87.527124,0.00007158);(87.875539,0.00009607);(87.883539,0.00009994);(88.367732,0.0000662);(88.421163,0.00011043);(88.595231,0.00011961);(88.666257,0.00011417);(88.897425,0.00009359);(89.060171,0.00172327);(89.542593,0.00008039);(89.836464,0.00007588);(90.015664,0.00005444);(90.140091,0.0000928);(91.039536,0.00059784);(91.05772,0.00370385);(93.730064,0.00006653);(94.522509,0.00011605);(94.573626,0.00005814);(94.823534,0.00006418);(95.050004,0.00006752);(95.254765,0.0001022);(95.37492,0.00008519);(95.463695,0.000068);(95.654932,0.00006628);(96.358973,0.00007076);(97.028804,0.01712522);(97.363523,0.00008119);(97.507433,0.00007223);(97.958288,0.00012086);(98.732786,0.00041448);(99.044436,0.00256519);(99.177654,0.00006373);(99.329848,0.00009665);(99.852531,0.00007773);(100.753558,0.00005366);(100.860329,0.00013752);(101.315664,0.00007862);(102.316581,0.00018009);(102.9131,0.00012152);(104.713761,0.00008291);(104.773898,0.00011578);(105.454025,0.00006841);(106.450429,0.00009497);(106.827785,0.00009017);(109.028628,0.0031244);(109.194987,0.00007172);(109.501528,0.00013562);(109.612278,0.00011072);(109.8597,0.00009192);(110.463797,0.00009717);(111.044353,0.00151234);(112.228337,0.00006084);(112.508402,0.00009333);(113.647007,0.00007291);(114.19531,0.0000931);(114.494924,0.00009685);(115.997442,0.00010453);(116.244538,0.0000996);(116.815304,0.00008305);(116.941631,0.00012703);(117.142356,0.00011652);(117.188935,0.00011475);(118.319993,0.000101);(119.203629,0.00011224);(119.297368,0.00011223);(119.584737,0.00011456);(120.015651,0.00006302);(120.019397,0.0001194);(120.321744,0.00005968);(120.499335,0.00006998);(121.028591,0.00073291);(122.689894,0.00007381);(122.797246,0.00008678);(122.988127,0.00007837);(123.707333,0.00006377);(123.851547,0.00006311);(125.209601,0.00007127);(125.544059,0.00006744);(125.5919,0.00006833);(126.251,0.00010205);(127.039091,0.00645593);(127.66096,0.00009874);(128.148755,0.00007107);(128.247007,0.00005679);(128.706006,0.00010558);(129.054627,0.00695941);(129.991421,0.00008151);(130.291618,0.00006901);(130.583577,0.00011875);(132.156047,0.0003198);(133.212386,0.00010135);(133.673646,0.00020387);(133.856486,0.00008965);(133.989732,0.00012294);(134.154934,0.00010533);(135.940172,0.00010706);(137.119939,0.00007732);(137.12634,0.00008446);(137.967364,0.00010391);(138.481538,0.00006723);(138.774191,0.00005262);(140.196814,0.00012341);(140.704131,0.00006583);(142.203338,0.00011601);(142.468988,0.0000687);(142.601625,0.00022972);(142.751092,0.00013349);(143.8427,0.00007164);(143.903447,0.00009598);(144.16845,0.00011882);(144.469324,0.00006684);(145.04923,0.00032654);(145.716376,0.00010775);(145.819188,0.00010803);(146.79528,0.00011069);(147.663219,0.0000851);(148.391114,0.00011017);(149.026123,0.00005531);(149.071958,0.00007294);(150.671038,0.00010895);(150.912489,0.00006857);(151.802363,0.00012445);(153.01845,0.0007044);(153.217124,0.00008355);(153.773457,0.00009443);(154.093358,0.00010435);(154.543762,0.00007109);(155.379977,0.00007524);(157.544889,0.00009601);(159.15373,0.0000681);(159.468957,0.00005589);(159.53591,0.00011898);(159.930596,0.00007261);(162.276975,0.00009866);(162.987256,0.00089736);(163.055403,0.00007775);(163.312477,0.0001084);(164.019828,0.00036649);(164.08324,0.00005774);(164.103213,0.00012833);(164.824789,0.00009771);(165.018034,0.00036304);(166.090684,0.00011548);(167.247571,0.00011364);(167.287168,0.0000719);(168.404218,0.00011288);(169.0289,0.00010291);(169.779558,0.00006523);(172.147614,0.000063);(172.463177,0.0000898);(172.680012,0.00009454);(173.043589,0.00010026);(173.10811,0.00008282);(173.114565,0.00005442);(174.030608,0.00007196);(174.214284,0.00010687);(175.895499,0.00006877);(176.176557,0.00009875);(177.627756,0.00011114);(177.746468,0.00011747);(178.371387,0.00010897);(178.972642,0.0000512);(180.083537,0.00010656);(180.085574,0.0001);(180.088298,0.00008198);(181.03312,0.00036244);(181.563448,0.00024211);(182.750693,0.00011149);(184.22238,0.00033135);(184.469457,0.00006105);(184.532973,0.00012304);(185.236359,0.00006279);(185.399161,0.00008389);(185.911022,0.00033448);(186.862949,0.00011597);(189.930252,0.00010633);(196.163071,0.00009357);(197.271873,0.00011704);(198.479058,0.00009292);(198.585671,0.00011823);(198.588802,0.00013777);(198.591262,0.00013549);(200.359802,0.0001167);(200.458801,0.00020991);(201.5901,0.00012663);(202.214616,0.000094);(203.544615,0.00010552);(203.683716,0.00014793);(207.262241,0.00009873);(210.823875,0.00011094);(210.884756,0.00011818);(215.329199,0.00010588);(218.372805,0.00005791);(220.466742,0.00118692);(220.473527,0.00122518);(220.487134,0.00162415);(220.51922,0.00010292);(220.527803,0.00008317);(222.147511,0.0001);(223.528839,0.00008964);(224.332312,0.00035384);(225.351694,0.0000613);(225.683822,0.00007053);(227.30409,0.00011366);(228.548486,0.00013737);(229.530352,0.00006047);(229.915424,0.00012108);(231.065319,0.00011408);(233.511667,0.00011192);(236.751688,0.00011073);(237.721221,0.0001266);(239.884662,0.00008884);(240.594331,0.00008464);(240.976261,0.00010128);(242.799379,0.00007534);(243.094305,0.00011565);(245.468214,0.00009867);(245.981021,0.00010315);(246.59933,0.00007868);(247.438578,0.00015472);(248.942542,0.00007095);(249.824178,0.00033282);(249.833016,0.00010572);(252.988069,0.00009684);(255.207535,0.00008249);(255.747678,0.00007162);(258.054934,0.00007291);(259.059567,0.00007945);(263.184599,0.00011484);(264.833527,0.00014067);(266.386426,0.00009585);(266.659766,0.00009443);(268.994275,0.00005992);(271.057701,0.00009385);(273.647222,0.00007413);(273.781367,0.00009546);(279.883924,0.00009875);(281.137149,0.00022748);(281.22889,0.00006274);(285.008397,0.00020883);(285.075813,0.00209703);(285.670986,0.00006571);(286.05139,0.00007922);(286.079732,0.00011901);(287.054726,1.0);(288.058262,0.15840472);(289.06015,0.01474838);(294.140278,0.00007228);(295.059743,0.00014899);(295.207394,0.00006498);(296.637394,0.00010059);(297.106893,0.00006916);(297.765304,0.00040583);(298.162714,0.00006228);(299.05433,0.00017219);(300.081511,0.00006592);(300.602233,0.00009402);(301.06982,0.0001287);(301.816839,0.00007688);(305.628922,0.00006359);(307.05923,0.00007049);(308.26225,0.00008354);(308.596473,0.00008815);(309.316024,0.00007841);(310.236066,0.00008227);(310.310028,0.00028123);(311.220623,0.00011016);(314.234283,0.0001111);(320.141255,0.00010868);(320.977604,0.00014015);(321.032303,0.00042412);(323.108836,0.00008161);(323.208907,0.00007429);(325.070901,0.00033993);(326.07355,0.00013539);(329.065314,0.00042725);(335.306999,0.00011292);(337.069421,0.0000784);(341.512976,0.00011812);(343.22718,0.00011014);(345.395557,0.00008274);(345.585755,0.00008833);(350.97227,0.00007152);(354.432262,0.00012718);(355.334069,0.00006591);(355.874179,0.00009753);(357.696835,0.00007959);(360.056638,0.00008073);(364.514686,0.00010362);(368.916889,0.00011783);(371.257274,0.00007527);(376.995165,0.00013893);(377.493158,0.00008289);(382.170849,0.00009017);(384.481425,0.0001271);(388.528987,0.0000703);(393.415568,0.00007332);(395.775731,0.00011852);(395.923852,0.000111);(399.008739,0.00012613);(407.925795,0.00011333);(411.551744,0.00007273);(412.527238,0.00010079);(413.765704,0.00010532);(415.405344,0.00008114);(417.209467,0.00009015);(422.91631,0.00012112);(423.707156,0.00012796);(424.70176,0.00012457);(429.110706,0.0000547);(434.527994,0.00007389);(439.064691,0.00010034);(439.187442,0.00006294);(445.051434,0.00011475);(445.825691,0.00006594);(461.861264,0.00008656);(465.513413,0.00007423);(465.847424,0.00036038);(465.887475,0.00035751);(466.891779,0.00010978);(468.955226,0.00012359);(483.48392,0.00035528);(485.91278,0.00008739);(494.107495,0.00011558);(500.929664,0.00007123);(501.019685,0.00012559);(509.985829,0.00024479);(513.405119,0.00013037);(532.373052,0.00006259);(554.144569,0.00012177);(554.401703,0.00012034);(554.746261,0.00022588);(578.547223,0.00007528);(584.076882,0.00007497);(593.017181,0.00007099);(599.18895,0.00007918)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(287.011,0.01);(287.023,0.011);(287.054,1.0);(288.06,0.151);(289.055,0.01);(289.067,0.022);(449.106,0.134);(450.108,0.049);(531.309,0.01);(595.125,0.021);(595.169,0.108)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(253.052,0.01);(287.03,0.012);(287.055,0.848);(287.765,0.013);(288.035,0.016);(288.058,0.146);(289.063,0.032);(433.08,0.012);(433.1,0.034);(433.127,0.017);(449.106,0.398);(450.106,0.121);(450.126,0.023);(451.08,0.013);(451.114,0.017);(595.167,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(71.053,0.01);(85.03,0.049);(128.033,0.013);(129.05,0.028);(129.058,0.012);(287.022,0.022);(287.055,1.0);(288.055,0.13);(289.06,0.021)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(69.037,0.022);(71.047,0.101);(83.044,0.03);(85.017,0.011);(85.029,0.156);(97.034,0.055);(111.007,0.037);(121.018,0.013);(121.03,0.01);(133.027,0.016);(153.016,0.016);(161.025,0.017);(165.017,0.08);(166.022,0.017);(189.053,0.017);(203.026,0.013);(213.042,0.017);(213.053,0.048);(231.068,0.011);(235.892,0.011);(241.054,0.01);(245.039,0.019);(246.043,0.016);(259.067,0.014);(267.207,0.01);(287.02,0.018);(287.031,0.041);(287.057,1.0);(288.051,0.185);(288.063,0.046);(288.077,0.01);(289.061,0.028);(330.056,0.016);(379.346,0.017)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(71.048,0.023);(85.027,0.023);(127.037,0.01);(129.051,0.013);(147.065,0.02);(192.771,0.01);(286.973,0.01);(287.02,0.042);(287.054,1.0);(288.059,0.152);(288.073,0.026);(289.046,0.01);(449.101,0.138);(449.123,0.019);(450.11,0.033);(595.12,0.01);(595.163,0.091);(595.183,0.041)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.055,0.018);(287.015,0.015);(287.055,1.0);(288.054,0.137);(329.065,0.012);(433.11,0.029);(433.136,0.01);(434.12,0.015);(434.152,0.01);(449.075,0.049);(449.104,0.187);(449.118,0.316);(450.109,0.125);(451.108,0.012);(488.133,0.012);(595.123,0.043);(595.167,0.89)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(57.035,0.01);(71.054,0.011);(83.053,0.01);(85.025,0.022);(85.033,0.028);(129.053,0.052);(145.047,0.011);(287.056,1.0);(287.087,0.015);(288.06,0.118);(289.05,0.012)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(55.055,0.014);(69.0,0.016);(71.049,0.011);(85.025,0.058);(97.027,0.013);(129.058,0.01);(135.043,0.018);(146.07,0.011);(146.5,0.012);(147.045,0.013);(153.016,0.037);(157.069,0.011);(158.079,0.015);(165.018,0.039);(165.027,0.021);(175.075,0.022);(203.036,0.012);(213.057,0.016);(214.061,0.017);(217.048,0.01);(223.042,0.011);(231.94,0.01);(241.01,0.011);(241.058,0.01);(245.943,0.015);(258.051,0.012);(286.897,0.011);(287.022,0.013);(287.055,1.0);(288.062,0.085);(289.056,0.01);(300.058,0.013)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.03,0.016);(129.055,0.062);(147.071,0.015);(287.018,0.013);(287.055,1.0);(288.05,0.067);(288.062,0.167);(289.057,0.015);(289.069,0.021);(433.116,0.015);(449.092,0.044);(449.116,0.106);(450.12,0.052);(595.13,0.013);(595.164,0.102);(595.183,0.032)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.038,0.021);(129.051,0.039);(237.049,0.013);(255.082,0.017);(287.056,0.721);(287.077,0.019);(287.853,0.01);(288.058,0.107);(288.065,0.037);(289.059,0.02);(309.112,0.01);(309.125,0.013);(309.799,0.016);(414.872,0.011);(433.099,0.016);(433.119,0.037);(449.066,0.024);(449.106,0.485);(449.513,0.01);(450.037,0.01);(450.101,0.077);(450.122,0.043);(452.094,0.015);(594.764,0.015);(595.092,0.014);(595.166,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(71.052,0.014);(85.031,0.019);(129.049,0.011);(129.058,0.012);(145.05,0.04);(287.055,1.0);(288.053,0.133);(288.067,0.048);(289.056,0.018);(329.073,0.01)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(71.046,0.023);(83.045,0.017);(85.018,0.013);(85.022,0.023);(85.027,0.038);(85.035,0.017);(86.024,0.011);(111.005,0.034);(121.027,0.022);(139.029,0.017);(153.013,0.017);(165.019,0.024);(213.014,0.017);(213.06,0.044);(241.046,0.033);(243.065,0.022);(259.057,0.015);(286.78,0.01);(287.029,0.055);(287.055,1.0);(288.038,0.018);(288.065,0.091);(288.166,0.011);(289.067,0.039)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.055,0.018);(147.066,0.023);(287.055,0.493);(288.06,0.151);(289.063,0.023);(433.113,0.045);(434.118,0.018);(449.108,0.55);(450.113,0.21);(451.116,0.047);(463.124,0.015);(595.166,1.0);(596.17,0.429);(597.173,0.126);(598.176,0.021)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(129.055,0.05);(147.066,0.046);(287.055,1.0);(288.06,0.296);(289.063,0.044);(301.07,0.037);(449.108,0.299);(450.113,0.111);(451.116,0.027);(463.124,0.08);(464.127,0.017);(595.165,0.046);(596.169,0.014)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(129.055,0.061);(145.05,0.024);(147.065,0.02);(287.055,1.0);(288.06,0.312);(289.063,0.054);(301.071,0.122);(302.074,0.02);(449.108,0.013);(463.124,0.032)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(127.04,0.014);(129.055,0.044);(145.05,0.021);(287.055,1.0);(288.06,0.312);(289.063,0.048);(301.07,0.174);(302.074,0.03)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(593.152,1.0);(594.156,0.498);(595.16,0.14);(596.162,0.026)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(285.04,0.014);(593.151,1.0);(594.156,0.497);(595.159,0.137);(596.162,0.025)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(284.033,0.056);(285.041,0.221);(286.046,0.07);(299.056,0.024);(593.152,1.0);(594.157,0.508);(595.16,0.138);(596.163,0.024)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(284.033,0.646);(285.04,1.0);(286.046,0.305);(287.049,0.045);(299.056,0.04);(327.051,0.025);(593.152,0.537);(594.156,0.258);(595.16,0.068);(596.162,0.013)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(85.026,0.013);(127.04,0.011);(129.055,0.025);(287.055,1.0);(288.06,0.324);(289.064,0.052);(301.071,0.21);(302.075,0.037)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(227.035,0.035);(228.041,0.011);(229.051,0.026);(255.03,0.075);(256.036,0.05);(257.045,0.039);(284.033,1.0);(285.04,0.976);(286.045,0.309);(287.05,0.04);(299.056,0.032);(327.052,0.011);(593.152,0.036);(594.157,0.018)
LC-MS/MS ESI- LC-Q-TOF/MSNegativemediumView Spectrum(255.0305,0.081);(284.0322,0.783);(285.0406,0.999);(593.1506,0.107)
LC-MS/MS ESI- LC-Q-TOF/MSPositivelowView Spectrum(71.0506,0.047);(85.0293,0.092);(129.0554,0.031);(153.0191,0.012);(165.0204,0.011);(287.0551,0.999);(288.0587,0.012);(449.1075,0.084);(595.1663,0.039)
LC-MS/MS ESI- LC-Q-TOF/MSNegativelowView Spectrum(227.0383,0.192);(229.0544,0.098);(255.0336,0.386);(257.0503,0.072);(284.0364,0.646);(285.0443,0.836);(593.1506,0.999)

Food Sources

NameGroup
AlmondNuts PublicationsShow
ApricotFruit, Drupes PublicationsShow
Black teaTeas and herbal teas PublicationsShow
Green teaTeas and herbal teas PublicationsShow
StrawberryFruit, Berries PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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