precursor

Showing entry for Pinocembrin

Identification

PhytoHub ID
PHUB000396
Name
Pinocembrin
Systematic Name
Not Available
Synonyms
  • 5,7-Dihydroxyflavanone
  • Dihydrochrysin
CAS Number
Not Available
Average Mass
256.257
Monoisotopic Mass
256.073558866
Chemical Formula
C15H12O4
IUPAC Name
5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key
URFCJEUYXNAHFI-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
SMILES
OC1=CC(O)=C2C(=O)CC(OC2=C1)C1=CC=CC=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.88e-01 g/l
LogS (ALOGPS)
-3.14
LogP (ALOGPS)
2.85
Hydrogen Acceptors
4
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
66.76
Refractivity
69.30890000000002
Polarizability
26.27246654747751
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.950227971056941
pKa (strongest acidic)
7.866812033519348
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavans
Direct Parent Name
Flavanones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "Aryl alkyl ketones", "Benzene and substituted derivatives", "Chromones", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Vinylogous acids"]
External Descriptor Annotations
Not Available
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "Aryl alkyl ketone", "Aryl ketone", "Benzenoid", "Benzopyran", "Chromane", "Chromone", "Ether", "Flavanone", "Hydrocarbon derivative", "Hydroxyflavonoid", "Ketone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Vinylogous acid"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
GC-MSEI-BpositiveNot AvailableView Spectrum(32.0,3.5);(38.0,2.7);(39.0,17.5);(41.0,0.65);(42.0,6.5);(43.0,8.3);(50.0,11.3);(51.0,2.29);(52.0,5.9);(53.0,7.1);(55.0,10.4);(63.0,0.59);(65.0,3.7);(66.0,2.3);(67.0,3.5);(68.0,0.35);(69.0,38.7);(76.0,3.7);(77.0,26.4);(78.0,2.59);(79.0,3.2);(91.0,11.2);(95.0,3.2);(96.0,2.21);(102.0,5.5);(103.0,26.7);(104.0,32.4);(105.0,0.81);(107.0,4.0);(111.0,11.2);(115.0,2.3);(123.0,0.92);(124.0,60.0);(125.0,3.5);(131.0,3.3);(149.0,0.87);(150.0,2.3);(152.0,99.99);(153.0,25.9);(154.0,0.25);(178.0,4.3);(179.0,86.7);(180.0,7.5);(213.0,0.27);(227.0,2.1);(228.0,2.8);(238.0,6.5);(239.0,0.36);(255.0,50.7);(256.0,92.0);(257.0,14.0)
GC-MSEI-BpositiveNot AvailableView Spectrum(32.0,3.5);(38.0,2.7);(39.0,17.5);(41.0,0.65);(42.0,6.5);(43.0,8.3);(50.0,11.3);(51.0,2.29);(52.0,5.9);(53.0,7.1);(55.0,10.4);(63.0,0.59);(65.0,3.7);(66.0,2.3);(67.0,3.5);(68.0,0.35);(69.0,38.7);(76.0,3.7);(77.0,26.4);(78.0,2.59);(79.0,3.2);(91.0,11.2);(95.0,3.2);(96.0,2.21);(102.0,5.5);(103.0,26.7);(104.0,32.4);(105.0,0.81);(107.0,4.0);(111.0,11.2);(115.0,2.3);(123.0,0.92);(124.0,60.0);(125.0,3.5);(131.0,3.3);(149.0,0.87);(150.0,2.3);(152.0,99.99);(153.0,25.9);(154.0,0.25);(178.0,4.3);(179.0,86.7);(180.0,7.5);(213.0,0.27);(227.0,2.1);(228.0,2.8);(238.0,6.5);(239.0,0.36);(255.0,50.7);(256.0,92.0);(257.0,14.0)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(39.02292522,2.368470168);(63.02292522,1.690932129);(65.03857442,1.734769813);(78.04639902,5.777983733);(79.05422362,2.786718068);(82.00492882,1.403273462);(84.02057802,1.389374792);(104.0620482,3.969107245);(110.0362272,1.596992872);(126.0311413,1.56997814);(136.0154921,2.490466248);(150.0311413,2.667306868);(151.0389659,1.856798937);(152.0104062,5.404384488);(153.0182308,1.764846073);(179.03388,2.266209976);(186.0675256,1.493181156);(212.0467905,2.650428125);(214.0624397,6.124621501);(215.0702643,2.251778341);(217.0495292,1.62721795);(226.0624397,3.622380294);(227.0702643,2.264475186);(228.0780889,5.577125847);(238.0624397,4.957507306);(239.0702643,4.194350003);(240.0417046,2.779870186);(241.0495292,4.021151133);(255.0651784,3.096419482);(256.073003,12.46736069);(257.0763967,2.134519792)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(73.04679982,9.610830332);(75.02606472,1.196328975);(78.04639902,1.024933515);(89.04171392,0.8580366204);(97.01041552,1.100304309);(99.02606472,1.952730764);(113.0417139,3.528616735);(115.0573631,2.185478349);(117.0730123,1.098202921);(129.0730123,1.714346099);(211.0605026,1.117103671);(213.0761518,1.447111568);(252.0996256,0.8622482966);(265.0710659,0.9262788085);(268.0945397,0.8493307125);(280.0945397,1.048482926);(281.06598,1.448952259);(284.0863143,1.391981744);(286.1019635,0.9205341457);(296.0894538,0.9386401994);(313.089053,2.879651929);(326.0968776,0.8495143017);(327.1047022,3.291686741);(328.1073474,0.844234782);(328.1125268,2.046242526);(329.1203514,1.634470937);(358.1414873,0.9400455974);(384.1207522,0.8522827297);(385.1285768,4.658088878);(386.1308084,1.539018952);(400.1520506,0.9045162968)
LC-MS/MSLC-ESI-qTofPositiveNot AvailableView Spectrum(94.954643,116.0);(95.008957,116.0);(95.067169,132.0);(95.085976,3984.0);(95.133156,40.0);(95.146751,104.0);(95.185585,132.0);(95.352654,64.0);(95.51403,136.0);(95.811874,44.0);(96.1297,88.0);(96.285873,88.0);(96.59861,60.0);(96.72776,132.0);(96.984367,148.0);(97.027489,160.0);(97.341431,100.0);(97.378746,136.0);(97.581146,116.0);(97.929459,80.0);(98.132431,148.0);(98.18512,92.0);(98.40274,164.0);(98.481728,44.0);(98.610153,132.0);(98.645737,148.0);(98.693184,128.0);(98.722847,48.0);(98.73867,112.0);(98.938522,140.0);(99.069221,140.0);(99.154427,152.0);(99.332878,124.0);(99.853279,100.0);(99.954742,120.0);(100.227539,108.0);(100.428894,100.0);(100.75827,168.0);(100.958153,168.0);(101.178261,148.0);(101.358521,148.0);(101.386574,80.0);(101.603134,148.0);(101.858078,140.0);(101.970604,140.0);(102.28035,128.0);(103.309502,140.0);(103.323662,132.0);(103.362106,52.0);(103.673965,124.0);(104.384476,44.0);(104.464981,144.0);(104.530937,148.0);(104.716194,56.0);(105.068466,1344.0);(105.285995,52.0);(105.399612,168.0);(105.454788,128.0);(105.595863,148.0);(105.642906,48.0);(105.974571,108.0);(106.177513,144.0);(106.438141,112.0);(106.481262,168.0);(106.705246,84.0);(106.731979,124.0);(106.785446,72.0);(106.84304,136.0);(106.962395,120.0);(107.022102,44.0);(107.079765,156.0);(107.261078,116.0);(107.485886,160.0);(107.748108,152.0);(107.969276,140.0);(107.987892,76.0);(108.080589,168.0);(108.085915,136.0);(108.383301,148.0);(108.400703,100.0);(108.874939,104.0);(109.070244,160.0);(109.101639,152.0);(109.621773,152.0);(109.63636,88.0);(110.018074,144.0);(110.095993,1072.0);(110.26664,164.0);(110.768967,164.0);(110.961617,56.0);(111.104301,1444.0);(111.165077,140.0);(111.259529,164.0);(111.637741,152.0);(111.711357,108.0);(112.050301,168.0);(112.077026,140.0);(112.111893,1652.0);(112.164093,140.0);(113.010956,140.0);(113.039894,160.0);(113.381538,68.0);(113.818535,156.0);(113.975723,80.0);(114.183342,144.0);(114.313828,116.0);(114.428764,132.0);(114.656693,104.0);(114.705711,120.0);(114.852844,148.0);(114.918976,124.0);(115.000069,64.0);(115.140869,144.0);(115.367477,100.0);(115.662682,124.0);(115.872551,144.0);(116.155533,56.0);(116.539818,64.0);(116.595688,148.0);(116.797798,152.0);(116.851578,92.0);(116.869781,156.0);(116.888153,52.0);(117.069252,160.0);(117.200378,52.0);(117.325386,168.0);(117.433205,132.0);(117.577759,132.0);(117.601501,88.0);(117.670578,96.0);(117.910355,132.0);(117.994652,112.0);(118.076828,140.0);(118.27623,124.0);(118.605125,120.0);(118.969559,64.0);(119.086899,816.0);(119.663094,136.0);(120.029144,168.0);(120.175285,72.0);(120.349899,164.0);(120.605499,108.0);(120.959862,136.0);(121.065964,2924.0);(121.128471,40.0);(121.196388,112.0);(121.382706,164.0);(121.496758,40.0);(121.742592,84.0);(121.883186,168.0);(121.931526,52.0);(121.987411,160.0);(122.466171,168.0);(122.52565,28.0);(122.591751,152.0);(122.732529,148.0);(122.803398,152.0);(122.889435,56.0);(123.145996,36.0);(123.461555,152.0);(123.670753,36.0);(124.110146,152.0);(124.136986,40.0);(124.205742,52.0);(124.556458,116.0);(124.689774,140.0);(124.718666,40.0);(124.796478,124.0);(125.379692,64.0);(125.714211,68.0);(125.89727,148.0);(125.975449,100.0);(126.058731,160.0);(126.084587,156.0);(126.424866,40.0);(127.054497,144.0);(127.350807,120.0);(127.368774,80.0);(127.633324,168.0);(127.829674,148.0);(128.088593,48.0);(128.21701,116.0);(128.232788,164.0);(128.647827,88.0);(129.876572,112.0);(129.940094,124.0);(130.075043,156.0);(130.208801,160.0);(130.382874,132.0);(130.687592,104.0);(130.783173,120.0);(130.897003,88.0);(130.994949,56.0);(131.085449,1016.0);(131.654114,144.0);(131.862015,160.0);(132.057373,144.0);(132.088379,164.0);(132.487503,152.0);(132.637939,116.0);(132.757156,116.0);(132.878723,84.0);(133.100632,888.0);(133.242142,96.0);(133.315002,156.0);(133.524216,64.0);(133.66684,132.0);(133.938507,168.0);(133.95694,136.0);(134.069839,112.0);(134.334991,152.0);(135.044632,168.0);(135.173691,164.0);(135.227371,144.0);(135.465408,128.0);(135.544189,96.0);(135.599808,152.0);(135.632248,156.0);(136.005707,144.0);(136.077667,148.0);(136.100891,136.0);(136.826309,164.0);(136.959045,136.0);(137.012619,168.0);(137.093246,132.0);(137.971802,156.0);(138.089844,1988.0);(138.128265,2988.0);(138.177612,40.0);(138.821762,160.0);(139.474442,96.0);(140.081558,156.0);(140.107285,9372.0);(140.172134,72.0);(140.197006,124.0);(140.23111,116.0);(140.352585,48.0);(140.4021,144.0);(140.452927,124.0);(140.689972,48.0);(140.846954,100.0);(140.937958,96.0);(141.076233,152.0);(141.109848,844.0);(141.247665,112.0);(141.444077,144.0);(141.678513,168.0);(141.749588,84.0);(141.773285,148.0);(142.114746,108.0);(142.245285,96.0);(142.319016,136.0);(142.413864,120.0);(142.889313,36.0);(143.19162,88.0);(143.208298,104.0);(143.50856,128.0);(143.594406,104.0);(143.637344,88.0);(143.856873,124.0);(143.914185,52.0);(144.219955,160.0);(144.576324,44.0);(144.686432,160.0);(145.063904,988.0);(145.400742,56.0);(145.501556,144.0);(146.072998,2672.0);(146.155319,48.0);(146.176971,104.0);(146.268433,120.0);(146.306946,168.0);(146.367142,144.0);(146.542969,96.0);(146.685165,124.0);(146.728546,56.0);(146.828247,100.0);(146.849121,108.0);(146.93837,152.0);(147.07811,960.0);(147.137527,108.0);(147.257019,120.0);(147.50589,104.0);(147.641296,128.0);(147.716278,108.0);(147.866287,56.0);(148.108414,136.0);(148.319214,140.0);(148.571411,152.0);(148.62236,152.0);(148.646637,52.0);(148.782547,56.0);(148.916107,36.0);(149.010849,140.0);(149.096741,1264.0);(149.263626,68.0);(149.307404,152.0);(150.037903,56.0);(150.098755,168.0);(151.648163,152.0);(151.680679,96.0);(152.00441,132.0);(152.106445,876.0);(152.527542,148.0);(152.82019,144.0);(152.987167,132.0);(153.243683,96.0);(153.588806,164.0);(153.677628,160.0);(153.736847,120.0);(153.791138,60.0);(154.092422,68.0);(154.109711,152.0);(154.413773,144.0);(154.728027,148.0);(155.523773,80.0);(155.914948,160.0);(156.367599,144.0);(156.453476,152.0);(156.592911,76.0);(156.988449,156.0);(157.798203,144.0);(157.88591,160.0);(158.040817,148.0);(158.080856,140.0);(158.116043,168.0);(158.190979,112.0);(158.448929,144.0);(158.90271,148.0);(159.080933,4824.0);(159.24913,88.0);(159.387314,68.0);(159.55864,144.0);(159.716644,72.0);(159.734253,64.0);(160.036255,48.0);(160.086426,1240.0);(160.139511,76.0);(160.192398,96.0);(160.247833,100.0);(160.406601,128.0);(160.762222,152.0);(161.130875,56.0);(161.151093,60.0);(161.340637,100.0);(161.358337,168.0);(161.644165,164.0);(161.725143,120.0);(161.750458,100.0);(161.947968,44.0);(161.982224,160.0);(162.067993,1124.0);(162.191208,56.0);(162.447327,140.0);(162.607178,160.0);(162.767105,132.0);(163.010971,152.0);(163.323685,116.0);(163.441223,156.0);(163.471237,140.0);(163.664703,52.0);(163.865921,52.0);(163.947464,168.0);(164.074905,156.0);(164.485626,88.0);(164.53923,100.0);(164.656693,152.0);(164.689896,28.0);(164.927521,128.0);(165.129517,36.0);(165.718292,132.0);(165.810547,104.0);(166.083145,160.0);(166.12381,1716.0);(166.172104,128.0);(166.318375,92.0);(166.451889,152.0);(166.567459,144.0);(166.683075,44.0);(167.130905,6444.0);(167.199966,112.0);(167.246292,60.0);(167.529541,116.0);(167.697037,60.0);(167.941986,60.0);(168.012344,72.0);(168.07872,132.0);(168.135712,1248.0);(168.318771,112.0);(168.378174,72.0);(168.584839,64.0);(168.76062,72.0);(168.830429,44.0);(168.975098,56.0);(169.144699,148.0);(169.336716,84.0);(169.586426,152.0);(169.817184,140.0);(169.90538,64.0);(169.983215,100.0);(170.136353,76.0);(170.323334,164.0);(171.090469,116.0);(171.807144,128.0);(172.047241,128.0);(172.099457,120.0);(172.143845,120.0);(172.389404,52.0);(172.716202,140.0);(173.093414,152.0);(173.386475,80.0);(173.892654,80.0);(174.457413,44.0);(174.478439,156.0);(174.591507,116.0);(174.959885,60.0);(175.075882,3768.0);(175.111893,1440.0);(175.354126,60.0);(175.373459,80.0);(175.49736,72.0);(175.581741,156.0);(175.608109,88.0);(176.081238,884.0);(176.442566,164.0);(176.550964,72.0);(176.617096,140.0);(176.664703,52.0);(176.696457,80.0);(176.889633,156.0);(177.004364,84.0);(177.092712,968.0);(177.173004,32.0);(177.35054,60.0);(177.501663,32.0);(177.610397,48.0);(177.684677,132.0);(177.711197,148.0);(177.740387,72.0);(177.939453,104.0);(178.067703,136.0);(178.183792,132.0);(178.388428,96.0);(178.510727,128.0);(178.845947,152.0);(178.870987,128.0);(179.194809,36.0);(179.546677,92.0);(179.680038,92.0);(179.965622,140.0);(180.189972,168.0);(180.320908,144.0);(180.401108,44.0);(180.508057,144.0);(180.865479,156.0);(181.41301,112.0);(181.753632,132.0);(181.801941,156.0);(182.548752,56.0);(182.640198,144.0);(183.138138,160.0);(183.396805,64.0);(183.439941,108.0);(183.550476,112.0);(183.682632,144.0);(183.771652,64.0);(184.134323,4056.0);(184.194275,44.0);(184.410324,60.0);(184.51709,148.0);(184.587402,56.0);(184.745407,120.0);(185.058212,72.0);(185.548599,132.0);(185.610962,148.0);(185.700455,48.0);(185.952789,128.0);(185.982635,144.0);(186.066788,144.0);(186.115784,88.0);(186.406311,52.0);(186.485123,124.0);(186.56395,108.0);(186.615616,52.0);(187.075607,900.0);(187.53302,76.0);(187.614792,100.0);(187.680222,128.0);(187.723862,96.0);(187.800217,140.0);(188.455917,64.0);(189.062622,128.0);(189.33075,136.0);(189.369095,152.0);(189.440308,144.0);(189.522507,76.0);(189.656784,160.0);(190.061951,2828.0);(191.139816,156.0);(191.255402,84.0);(192.071014,144.0);(192.23996,84.0);(192.728073,136.0);(192.927063,108.0);(193.234039,168.0);(193.68251,148.0);(194.119034,3112.0);(194.264633,44.0);(194.295151,44.0);(194.353424,128.0);(194.489395,68.0);(194.675415,64.0);(195.181168,116.0);(195.240952,128.0);(195.322998,112.0);(195.370285,72.0);(195.450974,32.0);(195.542816,76.0);(195.751602,44.0);(196.152802,120.0);(196.283844,60.0);(196.306152,68.0);(197.017899,128.0);(197.280594,76.0);(197.507095,96.0);(197.742126,108.0);(198.058517,100.0);(198.582657,88.0);(200.018463,116.0);(200.832794,136.0);(201.058502,124.0);(201.208099,168.0);(201.583771,68.0);(201.877762,144.0);(201.925842,136.0);(202.104065,156.0);(202.217255,140.0);(202.644867,168.0);(202.834732,136.0);(203.004852,80.0);(203.069992,3624.0);(203.107285,3336.0);(203.155182,68.0);(203.200562,40.0);(203.305557,72.0);(203.359482,108.0);(203.711395,60.0);(203.742828,56.0);(203.954697,108.0);(204.007126,104.0);(204.078201,1420.0);(204.111298,840.0);(204.193375,156.0);(204.351242,48.0);(204.521408,116.0);(204.673782,88.0);(204.685867,144.0);(204.733307,36.0);(204.749054,128.0);(204.975845,144.0);(205.087433,81552.0);(205.159424,148.0);(205.204407,168.0);(205.255417,100.0);(205.2892,84.0);(205.360809,104.0);(205.383041,104.0);(205.41217,76.0);(205.433487,32.0);(205.459518,156.0);(205.508026,56.0);(205.530441,116.0);(205.61293,84.0);(205.654938,92.0);(205.674881,68.0);(205.780182,148.0);(205.814529,136.0);(205.835434,68.0);(205.853104,72.0);(205.901962,64.0);(205.959091,80.0);(206.003525,148.0);(206.025482,100.0);(206.090378,14696.0);(206.143356,88.0);(206.170395,104.0);(206.239105,64.0);(206.261978,72.0);(206.285446,152.0);(206.323074,108.0);(206.389435,56.0);(206.450668,60.0);(206.475815,76.0);(206.508545,68.0);(206.536469,56.0);(206.699554,104.0);(206.771088,96.0);(206.872604,60.0);(206.89418,92.0);(206.939026,76.0);(206.983337,96.0);(207.091431,980.0);(207.135818,84.0);(207.15477,116.0);(207.186295,92.0);(207.206345,44.0);(207.233734,76.0);(207.27034,108.0);(207.334167,144.0);(207.386871,100.0);(207.411407,36.0);(207.440552,168.0);(207.486038,156.0);(207.524948,124.0);(207.570358,48.0);(207.598419,132.0);(207.622314,116.0);(207.647781,88.0);(207.682205,120.0);(207.722488,92.0);(207.754791,164.0);(207.811295,28.0);(207.966019,48.0);(207.970963,44.0);(207.981827,76.0);(208.023666,56.0);(208.092575,96.0);(208.121292,36.0);(208.287521,68.0);(208.296478,60.0);(209.097672,136.0);(209.328995,96.0);(209.377945,56.0);(209.441315,84.0);(209.862061,88.0);(210.442001,148.0);(210.90712,44.0);(212.044601,92.0);(212.224335,60.0);(212.703018,80.0);(213.016632,40.0);(213.513657,40.0);(214.081146,100.0);(214.153946,76.0);(214.180161,68.0);(214.725204,76.0);(214.748535,40.0);(214.865219,100.0);(214.923584,52.0);(215.057816,120.0);(215.215469,72.0);(215.276779,28.0);(215.501709,56.0);(215.522156,96.0);(215.884628,88.0);(216.250336,56.0);(216.311798,80.0);(216.490402,140.0);(217.083939,160.0);(217.176208,132.0);(217.240738,80.0);(217.907166,164.0);(218.024704,72.0);(218.086426,104.0);(219.378662,40.0);(219.564423,156.0);(219.741409,104.0);(219.936172,108.0);(220.074936,36.0);(220.393936,144.0);(221.222046,92.0);(222.743286,108.0);(222.856186,132.0);(223.016647,112.0);(223.08783,140.0);(223.328857,28.0);(223.632339,108.0);(224.579834,84.0);(225.526352,36.0);(226.03775,164.0);(226.217331,140.0);(228.272552,128.0);(229.467941,144.0);(230.252502,116.0);(230.403534,132.0);(230.51532,108.0);(230.581818,80.0);(230.757141,160.0);(230.835754,100.0);(230.881668,108.0);(230.971848,108.0);(231.102509,23048.0);(231.191605,76.0);(231.366104,84.0);(231.398544,64.0);(231.545776,160.0);(231.704437,56.0);(231.780182,52.0);(231.852921,40.0);(232.056015,84.0);(232.105316,3716.0);(232.238571,40.0);(232.364426,64.0);(232.49585,76.0);(232.681015,52.0);(232.726547,56.0);(232.82373,84.0);(233.460861,92.0);(233.647461,156.0);(233.668762,124.0);(233.74324,92.0);(233.754807,128.0);(233.833084,92.0);(233.86351,92.0);(233.939621,40.0);(233.997467,168.0);(234.341629,96.0);(234.49704,40.0);(234.701294,128.0);(234.814117,60.0);(235.018509,96.0);(235.317627,76.0);(235.412277,48.0);(235.846115,72.0);(236.923264,108.0);(237.128571,132.0);(241.046219,76.0);(241.717239,136.0);(242.624741,92.0);(242.975189,64.0);(243.456314,96.0);(245.431061,80.0);(249.078323,156.0);(249.235397,84.0);(249.684937,112.0);(251.14949,36.0);(252.295776,140.0);(254.383423,76.0);(255.524323,140.0);(257.095245,56.0);(257.753082,52.0);(258.903076,104.0);(259.096344,1416.0);(259.834259,64.0);(260.036407,52.0);(260.093414,144.0);(260.871552,112.0);(263.982941,32.0);(265.031708,108.0);(267.132263,108.0);(267.509766,64.0);(270.071289,108.0);(270.31665,120.0);(271.087311,1536.0);(272.802765,76.0);(274.112701,160.0);(274.343414,88.0);(274.442322,116.0);(274.818359,112.0);(275.977692,36.0);(276.124695,3644.0);(276.828094,52.0);(276.90094,80.0);(276.963867,52.0);(277.388031,56.0);(278.220673,100.0);(278.489655,92.0);(280.969604,80.0);(285.380554,96.0);(285.478088,76.0);(289.74118,28.0);(293.057159,104.0);(300.149078,80.0);(300.452576,96.0);(303.132233,136.0);(312.289795,52.0);(320.656311,80.0);(325.055054,128.0);(326.046204,88.0);(327.17923,136.0);(329.093689,100.0);(333.549744,144.0);(335.384277,124.0);(336.332642,92.0);(339.365387,48.0);(341.521057,104.0);(346.712128,132.0);(347.591003,76.0);(350.08905,96.0);(353.665741,148.0);(356.339539,172.0);(360.061218,140.0);(368.013,100.0);(368.333801,168.0);(369.342926,144.0);(370.202911,2076.0);(370.315125,80.0);(370.709717,56.0);(370.736542,52.0);(371.204834,976.0);(371.33844,76.0);(371.395416,28.0);(371.445831,56.0);(372.213318,136.0);(372.409271,48.0);(372.447693,40.0);(376.194458,60.0);(380.184998,100.0);(386.470459,84.0);(387.445343,72.0);(388.041046,156.0);(391.286285,76.0);(393.498077,108.0);(399.021027,48.0);(402.291779,64.0);(402.739014,48.0);(407.200867,40.0);(414.255646,160.0);(414.725708,96.0);(415.240631,68.0);(415.565155,64.0);(418.95993,32.0);(421.939117,104.0);(423.019135,56.0);(424.567902,116.0);(424.764771,56.0);(426.48114,60.0);(442.130188,52.0);(447.136993,44.0);(453.319641,128.0);(462.831635,140.0);(466.02713,96.0);(475.81842,120.0);(481.011963,68.0);(489.689331,88.0);(496.455597,80.0);(504.420898,52.0);(516.946899,96.0);(521.868469,52.0);(530.25885,68.0);(538.106506,88.0);(541.658142,80.0);(584.765503,84.0);(602.542847,80.0);(653.298889,72.0);(759.310242,56.0);(790.646729,160.0);(795.225586,48.0);(803.903748,100.0);(825.124695,60.0);(861.103333,172.0);(864.698914,68.0);(877.48114,124.0);(889.00946,152.0);(902.208557,64.0);(918.246948,28.0);(922.225769,168.0);(929.814636,136.0);(930.834473,112.0);(1004.945129,172.0);(1005.147034,136.0);(1005.456238,44.0);(1008.051697,172.0);(1019.337524,128.0);(1024.433716,104.0);(1026.269165,48.0);(1029.906738,44.0);(1036.098877,136.0);(1050.376465,148.0);(1052.945312,152.0);(1060.592896,76.0);(1066.616455,132.0);(1094.967285,168.0);(1104.894897,164.0);(1106.920288,60.0);(1112.536011,144.0);(1114.335693,112.0);(1118.13269,168.0);(1134.168945,100.0);(1139.416504,168.0);(1142.885742,112.0);(1142.993408,108.0);(1152.210205,152.0);(1155.069702,140.0);(1155.651489,56.0);(1155.854492,152.0);(1161.28772,128.0);(1162.339233,152.0);(1169.924072,168.0);(1174.435059,168.0);(1177.205933,156.0);(1181.901978,100.0);(1201.828125,108.0);(1204.430786,124.0);(1208.398804,172.0);(1214.217407,120.0);(1217.548584,116.0);(1225.318237,52.0);(1238.374023,92.0);(1240.609253,48.0);(1242.460693,116.0);(1242.671143,100.0);(1247.882446,156.0);(1248.093384,148.0);(1251.491943,136.0);(1255.317993,92.0);(1260.294312,124.0);(1263.928711,120.0);(1264.650513,112.0);(1268.099854,108.0);(1270.219849,168.0);(1277.458252,160.0);(1279.493652,136.0);(1282.834717,88.0);(1283.440674,156.0);(1283.939819,148.0);(1284.667358,108.0);(1287.379639,144.0);(1291.467529,68.0);(1298.221191,136.0);(1304.58252,156.0);(1305.445312,132.0);(1308.258545,172.0);(1308.791382,108.0);(1312.610229,136.0);(1313.987915,140.0);(1315.373413,88.0);(1315.42395,76.0);(1323.318481,144.0);(1328.033325,56.0);(1328.08667,164.0);(1331.817505,144.0);(1333.212402,76.0);(1333.844727,144.0);(1334.957031,172.0);(1335.233398,72.0);(1337.794678,104.0);(1340.176147,56.0);(1341.057861,164.0);(1343.077515,104.0);(1348.107788,128.0);(1348.977539,40.0);(1349.949951,160.0);(1350.001221,152.0);(1351.544556,44.0);(1353.498901,144.0);(1354.077393,164.0);(1354.619507,172.0);(1356.612671,172.0);(1361.021973,148.0);(1361.234863,52.0);(1370.606079,168.0);(1374.137817,152.0);(1380.445679,168.0);(1383.109131,164.0);(1388.562256,132.0);(1389.823364,156.0);(1390.661987,124.0);(1394.947754,172.0);(1397.945068,128.0);(1398.763794,36.0);(1400.565674,156.0);(1401.310669,168.0);(1403.710693,172.0);(1408.531982,164.0);(1414.693604,164.0);(1424.75,96.0);(1428.049927,140.0);(1430.013672,52.0);(1430.856689,168.0);(1431.80542,156.0);(1433.410034,116.0);(1433.877197,164.0);(1434.125977,52.0);(1434.81189,148.0);(1436.674683,160.0);(1436.83313,104.0);(1444.432617,152.0);(1444.538574,136.0);(1445.817261,156.0);(1448.383789,172.0);(1448.573242,144.0);(1450.353882,152.0);(1452.621094,144.0);(1454.032349,148.0);(1460.490356,124.0);(1469.654907,172.0);(1471.188965,40.0);(1476.598755,156.0);(1479.590576,100.0);(1485.069458,152.0);(1485.123169,128.0);(1487.202393,92.0);(1487.854858,160.0);(1492.264771,140.0);(1495.903687,92.0);(1499.716431,148.0);(1500.101807,124.0);(1500.664673,116.0);(1502.222412,152.0)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(151.0037,0.918313);(171.0446,0.514982);(211.0757,0.508923);(213.0554,1.226436);(255.0662,100.0)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(107.0137,7.051205);(108.0229,0.544067);(123.0096,0.842582);(125.0241,1.056838);(133.0282,0.529623);(136.0155,1.222947);(141.0694,0.796842);(145.0649,7.263054);(151.0026,15.828499);(164.0101,3.307735);(169.066,3.801247);(171.0436,6.194179);(172.0523,1.795903);(177.0181,0.702954);(183.0803,1.444426);(185.06,2.260526);(187.0751,5.094008);(193.0674,0.580178);(211.0745,5.589928);(213.0554,20.055851);(213.093,1.126652);(227.0707,1.836828);(255.0657,100.0)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(101.0389,34.053738);(101.0657,0.613318);(101.0702,0.700935);(101.0896,0.759346);(103.0548,17.640187);(103.1635,1.693925);(105.0337,1.226636);(105.0396,0.73014);(106.2647,0.613318);(107.0141,100.0);(107.0458,2.540888);(107.1102,0.876168);(108.021,37.266355);(108.05,0.700935);(108.0573,0.700935);(108.3736,0.613318);(109.0288,5.023364);(115.0553,11.185748);(117.0345,13.785047);(117.0696,7.009346);(119.0126,2.278037);(120.0217,4.935748);(120.3256,0.613318);(121.0308,0.876168);(122.0002,7.330607);(123.0073,8.966121);(125.0206,3.329439);(126.051,1.022196);(127.0565,8.323598);(127.0873,0.846963);(129.0325,1.518692);(129.0701,2.978972);(129.9282,0.613318);(130.0435,10.455607);(131.0473,1.752336);(133.0328,1.577103);(136.0167,9.608645);(139.0543,4.264019);(141.0701,21.40771);(141.105,1.255841);(143.0491,12.587617);(145.0651,53.446262);(145.0996,2.39486);(145.1198,0.759346);(145.148,0.817757);(145.1775,0.788551);(145.3385,0.671729);(151.003,22.809579);(151.0469,0.934579);(151.0687,0.788551);(151.1167,0.613318);(154.0379,0.700935);(155.0886,1.781542);(157.0676,3.533879);(162.9991,2.716121);(163.0151,0.992991);(164.0106,4.380841);(167.0459,2.482477);(168.0622,0.846963);(169.0649,11.068925);(171.0442,69.01285);(171.0803,1.314252);(171.0932,0.759346);(171.1056,1.343458);(171.1281,0.817757);(171.166,0.905374);(171.5362,0.642523);(172.051,4.264019);(172.0594,2.482477);(177.0246,1.781542);(183.0866,2.774533);(184.0556,1.314252);(185.0593,38.346963);(185.0979,1.109813);(187.0777,3.533879);(187.4395,1.080607);(193.0589,2.219626);(195.0573,0.817757);(195.9132,0.817757);(196.0578,0.613318);(199.0417,0.73014);(209.062,2.161215);(211.0732,2.336449);(213.0564,10.280374);(215.0401,0.700935);(218.541,0.73014);(219.8622,0.992991);(221.8931,0.671729);(224.3573,0.817757);(226.0575,0.788551);(227.0699,1.547897);(255.0618,2.65771)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(83.013708,1.583754);(107.045546,3.075013);(125.053121,1.868631);(130.068646,0.530984);(133.065256,1.788455);(136.073586,0.814577);(145.131013,8.723278);(151.042103,25.763195);(164.055277,5.183063);(167.116089,1.726286);(169.124686,8.170604);(171.101763,3.098433);(172.088207,0.895261);(177.05939,2.45755);(183.13742,5.381555);(185.120597,1.394338);(187.120417,13.567184);(193.117516,2.449907);(196.106534,0.963838);(209.126683,0.690972);(211.137734,38.805849);(213.070048,100.0);(227.091088,5.828126);(237.09869,1.069728);(255.093708,1.68644)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(103.0531,2.272727);(131.0478,13.528139);(153.0166,32.034632);(176.9873,2.489177);(178.9837,2.597403);(257.0794,100.0)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(103.0546,13.670886);(107.0503,3.291139);(131.0486,45.56962);(151.0386,3.924051);(153.0157,100.0);(153.0435,4.050633);(153.0578,2.531646);(173.0565,5.949367);(177.989,2.531646);(179.0302,4.43038);(257.0771,16.455696)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(103.0543,100.0);(131.0513,12.030075);(153.0162,61.278195)
LC-MS/MSLinear Ion TrappositiveNot AvailableView Spectrum(78.898317,0.618296);(102.01078,0.548553);(130.108164,0.866416);(131.019552,2.363748);(134.89889,2.086993);(148.938462,0.859477);(150.927469,1.501445);(152.979188,2.800384);(160.954482,1.759113);(162.912084,2.366206);(164.936962,0.873772);(168.933165,0.558792);(173.042574,0.898434);(176.924669,3.485476);(177.944029,1.492418);(178.91472,100.0);(179.900839,0.542374);(180.939714,1.649648);(187.046141,0.52509);(192.907753,3.565033);(193.915332,6.217959);(194.917877,25.05608);(196.94353,3.307678);(197.962694,0.744437);(198.970819,0.824804);(201.032826,0.635848);(208.907111,5.078037);(209.958013,0.575127);(210.978768,1.604496);(212.919269,26.946377);(213.973529,1.293867);(215.004127,1.535644);(217.083338,1.978275);(217.416671,3.476874);(217.953276,23.232201);(223.946238,1.66534);(224.929623,27.490185);(225.416672,3.525766);(225.896874,6.131498);(226.923176,34.860624);(228.031711,0.78293);(228.971386,3.974678);(234.382877,0.821659);(238.157248,1.160637);(238.934481,9.477157);(239.948493,2.182855);(240.416672,0.608941);(240.916672,0.981924);(241.391022,4.096493);(241.916672,2.633347);(242.416672,0.933996);(242.833339,1.383719);(244.82863,0.966266);(247.000006,0.649544);(247.500006,1.254982);(248.083339,1.232264);(265.769121,1.095706)
LC-MS/MSNot AvailablepositiveNot AvailableView Spectrum(95.049644,0.328391);(95.094276,0.348293);(95.305954,0.208976);(95.515923,0.248781);(95.712486,0.208976);(95.726112,0.069659);(95.757278,0.308488);(95.846886,0.099512);(95.918999,0.378147);(96.336601,0.308488);(96.412804,0.507513);(96.471443,0.308488);(96.806023,0.368196);(96.956863,0.328391);(96.972542,0.557269);(97.028732,1.313564);(97.050957,0.368196);(97.23732,0.199025);(97.472984,0.467708);(97.647949,0.31844);(98.467842,0.39805);(99.128601,0.268683);(99.451874,0.23883);(99.467751,0.358245);(99.799835,0.457757);(100.13385,0.487611);(100.365013,0.358245);(100.392929,0.129366);(100.616409,0.378147);(100.746223,0.338342);(101.046104,0.358245);(101.094131,0.099512);(101.797768,0.547318);(101.831909,0.447806);(102.04557,1.52254);(102.065025,0.268683);(102.33062,0.228878);(102.782112,0.368196);(102.828529,0.328391);(102.864861,0.378147);(102.895142,0.298537);(103.00621,0.23883);(103.028435,0.258732);(103.054665,26.967857);(103.087265,0.457757);(103.709259,0.447806);(103.980133,0.31844);(103.996376,0.189074);(104.056458,2.796298);(104.168968,0.268683);(104.626534,0.228878);(104.738533,0.437855);(104.769096,0.96527);(104.783356,0.447806);(104.84417,0.258732);(105.415894,0.23883);(105.730827,0.388098);(106.150787,0.467708);(107.009682,0.348293);(107.049026,0.905563);(107.135315,0.189074);(107.467247,0.348293);(107.996101,0.31844);(108.366653,0.288586);(108.406029,0.368196);(108.420532,0.39805);(109.026077,0.457757);(109.325996,0.408001);(109.557114,0.288586);(110.032616,0.527416);(110.114052,0.39805);(110.800163,0.607026);(110.936386,0.338342);(111.006767,1.224002);(111.261559,0.308488);(111.568283,0.109464);(111.888062,0.328391);(112.014412,0.368196);(112.077621,0.517464);(112.831116,0.338342);(112.985504,0.348293);(113.383583,0.487611);(113.604103,0.139317);(114.390373,0.268683);(114.471283,0.507513);(114.522392,0.487611);(114.601219,0.348293);(114.618263,0.278635);(114.874107,0.527416);(115.053368,0.298537);(115.128098,0.467708);(115.24131,0.587123);(115.559891,0.39805);(115.669037,0.139317);(116.050728,0.417952);(116.067528,0.199025);(116.161896,0.636879);(117.254181,0.169171);(117.778481,0.447806);(118.221703,0.437855);(118.637573,0.437855);(119.258392,0.358245);(120.295242,0.15922);(120.692879,0.626928);(121.167831,0.497562);(121.308083,0.427903);(121.371666,0.338342);(122.408836,0.437855);(122.457283,0.497562);(123.044762,2.716688);(123.762428,0.447806);(124.048225,0.39805);(124.116951,0.31844);(124.480865,0.467708);(125.025879,1.482735);(125.152405,0.408001);(125.401909,0.338342);(125.580276,0.437855);(125.886024,0.378147);(126.451645,0.288586);(127.040955,0.378147);(127.056595,0.358245);(127.256409,0.417952);(128.057816,0.796099);(128.832932,0.427903);(129.074768,0.288586);(129.423233,0.547318);(129.810715,0.109464);(130.548752,0.577172);(130.585144,0.467708);(130.655655,0.348293);(130.685242,0.457757);(131.049484,17.145985);(131.111069,0.308488);(131.127014,0.139317);(131.165771,0.358245);(131.213181,0.388098);(131.309418,0.477659);(131.407501,0.089561);(131.42804,0.129366);(131.523895,0.447806);(131.816223,0.15922);(131.857361,0.527416);(131.898499,0.388098);(132.026535,0.39805);(132.053238,1.542442);(132.075897,0.417952);(132.722687,0.507513);(132.754593,0.616977);(132.853409,0.288586);(133.0504,0.23883);(133.092102,0.298537);(133.445953,0.189074);(133.629944,0.258732);(133.715088,0.15922);(134.235733,0.328391);(134.443359,0.308488);(134.558777,0.328391);(134.852142,0.338342);(135.005981,0.537367);(135.090317,0.378147);(135.824631,0.626928);(135.877991,0.487611);(136.014908,0.388098);(136.900726,0.408001);(137.023468,0.477659);(137.233948,0.457757);(137.280579,0.338342);(137.446198,0.129366);(138.102676,0.587123);(138.198593,0.129366);(138.634125,0.577172);(139.387405,0.447806);(139.787155,0.507513);(140.053192,0.388098);(140.16864,0.119415);(141.070953,1.85093);(141.375351,0.218927);(141.498428,0.228878);(141.755997,0.228878);(142.081451,0.527416);(143.089142,0.497562);(143.272522,0.268683);(143.40596,0.328391);(144.016785,0.557269);(144.478134,0.358245);(144.626495,0.099512);(145.064758,0.557269);(145.499069,0.288586);(146.405579,0.189074);(146.911743,0.199025);(147.083084,0.328391);(147.138596,0.477659);(147.18689,0.457757);(147.25209,0.547318);(147.573257,0.517464);(147.658127,0.427903);(147.822632,0.457757);(147.900085,0.597074);(148.503403,0.577172);(149.022903,0.865758);(150.042679,0.457757);(150.259735,0.169171);(150.880081,0.417952);(151.039917,1.701662);(151.51149,0.388098);(151.75412,0.368196);(152.065338,0.388098);(152.269455,0.278635);(152.37999,0.348293);(152.500397,0.587123);(152.829941,0.378147);(152.88974,0.597074);(152.918533,0.358245);(152.940674,0.537367);(152.972717,0.517464);(152.992264,0.417952);(153.018951,100.0);(153.069992,0.39805);(153.09491,0.139317);(153.115494,0.199025);(153.14505,0.069659);(153.174606,0.298537);(153.194305,0.199025);(153.22023,0.248781);(153.27562,0.208976);(153.305191,0.119415);(153.339233,0.15922);(153.366806,0.199025);(153.391632,0.15922);(153.417221,0.15922);(153.445694,0.169171);(153.475281,0.07961);(153.529526,0.208976);(153.596741,0.278635);(153.61467,0.437855);(153.660263,0.15922);(153.763901,0.228878);(154.022797,8.428699);(154.094788,0.179122);(154.21489,0.248781);(154.257904,0.139317);(154.502731,0.129366);(154.531769,0.228878);(154.700699,0.07961);(154.841843,0.15922);(154.88147,0.15922);(154.999039,0.368196);(155.022842,1.641954);(155.053528,0.557269);(155.091309,0.477659);(155.117813,0.208976);(155.141663,0.278635);(155.184418,0.368196);(155.239319,0.388098);(155.441772,0.129366);(156.44342,0.15922);(156.650101,0.139317);(156.89183,0.15922);(157.046448,0.268683);(157.221085,0.208976);(158.048218,0.338342);(158.133301,0.199025);(159.043152,0.467708);(159.254059,0.368196);(159.555603,0.338342);(161.019638,0.348293);(161.350662,0.408001);(161.575745,0.199025);(165.069687,0.825953);(165.116623,0.139317);(165.134521,0.189074);(165.54657,0.149269);(166.029724,0.427903);(166.07196,0.39805);(166.829468,0.228878);(167.027466,0.417952);(168.052811,0.338342);(168.876892,0.298537);(169.067596,0.88566);(169.420486,0.15922);(170.07431,0.358245);(171.029144,0.816002);(171.048706,0.427903);(173.060944,1.821077);(174.067017,0.378147);(176.966309,0.348293);(177.6315,0.208976);(179.036362,0.666733);(179.098801,0.129366);(180.037155,0.527416);(181.345886,0.228878);(182.072968,0.288586);(182.4142,0.169171);(182.855331,0.248781);(183.084167,0.417952);(186.069397,0.666733);(187.078003,0.179122);(191.073654,0.567221);(192.037796,0.447806);(196.297668,0.497562);(197.061234,0.865758);(200.040863,0.169171);(200.080276,0.368196);(200.108429,0.31844);(211.074661,0.358245);(213.051346,0.298537);(214.057709,0.288586);(215.067139,1.701662);(216.080475,0.378147);(217.43132,0.308488);(218.25679,0.338342);(218.37149,0.278635);(219.50531,0.616977);(227.098145,0.368196);(229.09108,0.388098);(230.669327,0.089561);(239.073059,0.636879);(242.054489,0.417952);(251.449081,0.218927);(254.180145,0.31844);(256.266022,0.288586);(257.083923,2.905762);(258.081635,0.706538);(259.087616,0.388098);(260.488983,0.348293);(271.115509,0.427903);(277.073029,0.368196);(279.140869,0.31844);(284.161194,0.258732);(288.299561,0.288586);(295.029663,0.248781);(326.459412,0.119415);(344.129944,0.099512);(374.875122,0.228878);(382.119843,0.507513);(416.51889,0.189074);(430.440002,0.119415);(450.873322,0.049756);(453.666901,0.119415);(482.317719,0.129366);(487.137848,0.179122);(520.223511,0.109464);(523.688416,0.119415);(546.546448,0.07961);(555.375977,0.288586);(661.289246,0.368196);(700.759338,0.557269);(760.182068,0.368196);(774.328247,0.149269);(810.167969,0.417952);(813.888489,0.487611);(819.078003,0.049756);(829.239868,0.567221);(841.75824,0.378147);(851.376892,0.537367);(853.230469,0.348293);(854.213257,0.39805);(892.775269,0.378147);(905.385193,0.39805);(915.865662,0.417952);(941.576233,0.616977);(946.076538,0.388098);(955.749146,0.676684);(961.115906,0.288586);(963.740051,0.39805);(971.125366,0.258732);(984.112732,0.408001);(997.61377,0.328391);(999.185974,0.31844);(1005.392517,0.447806);(1007.48877,0.517464);(1008.702087,0.348293);(1011.352356,0.408001);(1012.340027,0.049756);(1022.172913,0.417952);(1031.0625,0.666733);(1040.516968,0.348293);(1053.861938,0.408001);(1058.985352,0.199025);(1065.510986,0.437855);(1074.730225,0.368196);(1081.474365,0.447806);(1087.983521,0.467708);(1090.394165,0.557269);(1097.167358,0.537367);(1098.248901,0.557269);(1100.089844,0.358245);(1105.91333,0.447806);(1115.802979,0.408001);(1128.551514,0.477659);(1134.61731,0.567221);(1145.658936,0.39805);(1145.968872,0.427903);(1146.588745,0.626928);(1147.215576,0.437855);(1147.565552,0.517464);(1149.67749,0.368196);(1152.317627,0.437855);(1156.61853,0.437855);(1159.246338,0.368196);(1160.907104,0.368196);(1161.612549,0.228878);(1168.848022,0.417952);(1169.623901,0.477659);(1177.293945,0.626928);(1186.106201,0.368196);(1188.595703,0.547318);(1191.115234,0.258732);(1193.190552,0.248781);(1198.579712,0.348293);(1200.799561,0.388098);(1211.64502,0.298537);(1215.160034,0.228878);(1224.871704,0.338342);(1226.355835,0.169171);(1227.791992,0.447806);(1236.937866,0.378147);(1242.684448,0.298537);(1244.32666,0.248781);(1244.55835,0.507513);(1251.885498,0.378147);(1256.156494,0.39805);(1260.300659,0.199025);(1262.258545,0.39805);(1262.371704,0.288586);(1270.219116,0.467708);(1281.878906,0.607026);(1287.443115,0.348293);(1287.635864,0.547318);(1291.409546,0.298537);(1292.081909,0.368196);(1297.137695,0.338342);(1299.827148,0.328391);(1305.264771,0.507513);(1310.418335,0.31844);(1315.733643,0.288586);(1316.26062,0.557269);(1316.426758,0.378147);(1317.004517,0.298537);(1320.719727,0.358245);(1323.462402,0.149269);(1326.128296,0.388098);(1326.497925,0.179122);(1328.049683,0.39805);(1328.985474,0.368196);(1329.594971,0.338342);(1332.121704,0.348293);(1333.516846,0.577172);(1335.967285,0.417952);(1338.740356,0.069659);(1342.755859,0.437855);(1345.616211,0.348293);(1354.918945,0.358245);(1355.790894,0.228878);(1356.663086,0.15922);(1358.555176,0.388098);(1364.224365,0.616977);(1366.040649,0.288586);(1368.086426,0.31844);(1370.067383,0.378147);(1370.531616,0.427903);(1371.585449,0.437855);(1373.318115,0.437855);(1377.266968,0.447806);(1385.374146,0.139317);(1385.82605,0.437855);(1387.997803,0.577172);(1388.057129,0.427903);(1388.746826,0.457757);(1389.080566,0.487611);(1389.28833,0.358245);(1389.763184,0.497562);(1391.643066,0.607026);(1391.789429,0.437855);(1392.777222,0.31844);(1396.032349,0.408001);(1399.045776,0.417952);(1408.717773,0.437855);(1411.32605,0.119415);(1417.501343,0.437855);(1418.130859,0.39805);(1419.817749,0.517464);(1421.768311,0.616977);(1422.526367,0.487611);(1423.502319,0.278635);(1439.692871,0.417952);(1441.377441,0.447806);(1441.793091,0.099512);(1442.828613,0.149269);(1445.248779,0.308488);(1446.134155,0.457757);(1448.246582,0.368196);(1450.830566,0.049756);(1455.413086,0.517464);(1456.666138,0.537367);(1458.641846,0.218927);(1465.151855,0.577172);(1466.969482,0.507513);(1468.21228,0.636879);(1468.418213,0.537367);(1471.439941,0.31844);(1476.29187,0.447806);(1477.010864,0.15922);(1479.245117,0.388098);(1480.447266,0.308488);(1482.209106,0.437855);(1489.581787,0.408001);(1494.078857,0.437855);(1494.494385,0.477659);(1499.245361,0.378147);(1500.656006,0.388098);(1500.810181,0.457757);(1502.939087,0.437855)
LC-MS/MSNot AvailablepositiveNot AvailableView Spectrum(70.525414,0.765613);(73.354301,0.572506);(75.543404,0.574778);(77.036469,1.042779);(79.016792,0.542972);(79.051491,2.128723);(80.053444,0.443011);(91.035767,0.258991);(91.054207,1.558489);(92.059349,1.276779);(92.999413,0.674739);(95.048775,3.510007);(97.027962,2.126451);(100.767006,0.681555);(102.986,0.579322);(103.053406,29.113752);(104.055824,0.483904);(104.716713,0.508894);(105.045044,5.091215);(106.046158,0.911012);(108.323273,0.443011);(111.009193,0.863303);(112.316109,0.506622);(115.041344,0.370311);(123.043411,2.249131);(129.041397,0.420292);(130.961258,0.218098);(131.048096,23.920304);(131.193146,0.24536);(132.051239,1.828839);(133.075729,0.343049);(135.003296,0.711089);(141.06958,0.99507);(142.053085,0.470273);(145.062714,0.95872);(148.077469,0.377127);(151.038696,1.967422);(152.058487,0.286253);(153.017883,100.0);(153.248749,0.565691);(153.300552,0.211282);(154.021027,8.608038);(155.029373,0.879206);(155.121078,0.365768);(155.30513,0.254447);(155.953552,0.202195);(157.630219,0.449826);(165.070724,1.051866);(170.060333,0.524797);(171.027603,1.887907);(173.036728,0.345321);(173.059555,2.242315);(179.031586,3.164686);(180.033966,0.833769);(183.093979,0.281709);(187.089844,0.463457);(196.95752,0.311243);(199.39566,0.68837);(215.066513,0.222641);(239.0737,1.667538);(251.07547,0.268078);(257.07962,51.920849);(257.128906,0.524797);(258.084991,3.13288);(1525.475708,0.308972)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(51.02046,0.001001);(57.03846,0.002002);(64.99836,0.001001);(65.00372,0.003003);(65.99997,0.001001);(68.99915,0.002002);(77.03854,0.001001);(77.04343,0.001001);(81.02976,0.002002);(81.03513,0.002002);(82.46547,0.001001);(83.01315,0.00900901);(84.01862,0.001001);(93.03704,0.001001);(95.01374,0.002002);(101.03911,0.002002);(103.0491,0.002002);(103.05556,0.001001);(107.01254,0.04404404);(107.05089,0.001001);(108.01902,0.01001001);(109.02736,0.002002);(111.55622,0.001001);(115.04813,0.002002);(115.06064,0.001001);(117.02937,0.001001);(117.07089,0.002002);(118.03966,0.001001);(120.02117,0.002002);(121.99649,0.001001);(122.03663,0.00900901);(123.03252,0.002002);(125.02306,0.01001001);(126.02396,0.001001);(127.05481,0.002002);(128.05576,0.001001);(129.66574,0.001001);(130.04213,0.001001);(131.04692,0.002002);(133.0302,0.001001);(135.04158,0.002002);(136.00706,0.001001);(136.01845,0.00500501);(141.06349,0.004004);(141.06975,0.002002);(142.03728,0.001001);(142.07625,0.001001);(143.043,0.001001);(143.0489,0.002002);(143.08467,0.001001);(145.06538,0.04504505);(146.06667,0.004004);(146.07471,0.001001);(147.08113,0.002002);(151.00237,0.09209209);(151.05342,0.001001);(152.00534,0.00700701);(153.00151,0.001001);(153.00832,0.001001);(153.0184,0.001001);(153.06894,0.002002);(155.05278,0.001001);(156.05545,0.004004);(157.06271,0.001001);(163.01057,0.001001);(164.01015,0.01001001);(165.06741,0.001001);(166.02733,0.001001);(167.04822,0.001001);(167.08354,0.002002);(169.0647,0.02402402);(170.07158,0.00500501);(171.04443,0.03903904);(171.07407,0.003003);(171.0853,0.001001);(172.04797,0.00700701);(173.05765,0.01201201);(174.06297,0.002002);(177.02084,0.002002);(178.02039,0.001001);(180.05489,0.001001);(181.06625,0.001001);(183.07927,0.00500501);(184.05115,0.002002);(184.08482,0.001001);(185.05905,0.01501502);(185.09944,0.001001);(186.06473,0.002002);(186.10962,0.001001);(187.07324,0.01301301);(188.0722,0.001001);(188.08171,0.002002);(189.77057,0.001001);(193.06279,0.001001);(193.0715,0.001001);(194.06868,0.001001);(195.08076,0.01001001);(196.04858,0.001001);(196.08308,0.001001);(198.05457,0.001001);(208.04929,0.001001);(209.3647,0.001001);(211.02885,0.001001);(211.0705,0.01401401);(211.07822,0.01101101);(212.07291,0.003003);(213.05367,0.07007007);(213.08995,0.05005005);(213.96031,0.001001);(214.05351,0.00900901);(214.06401,0.002002);(214.09486,0.01301301);(214.11505,0.001001);(215.07202,0.002002);(227.06651,0.001001);(227.07703,0.002002);(229.07553,0.001001);(237.05655,0.001001);(238.68382,0.001001);(239.0683,0.00700701);(239.08234,0.001001);(240.07678,0.002002);(255.0648,1.0);(255.10913,0.00700701)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(103.0543,1.0);(131.0513,0.12012012);(153.0162,0.61261261)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(107.0137,0.07007007);(108.0229,0.00500501);(123.0096,0.00800801);(125.0241,0.01101101);(133.0282,0.00500501);(136.0155,0.01201201);(141.0694,0.00800801);(145.0649,0.07307307);(151.0026,0.15815816);(164.0101,0.03303303);(169.066,0.03803804);(171.0436,0.06206206);(172.0523,0.01801802);(177.0181,0.00700701);(183.0803,0.01401401);(185.06,0.02302302);(187.0751,0.05105105);(193.0674,0.00600601);(211.0745,0.05605606);(213.0554,0.2002002);(213.093,0.01101101);(227.0707,0.01801802);(255.0657,1.0)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(101.0389,0.34034034);(101.0657,0.00600601);(101.0702,0.00700701);(101.0896,0.00800801);(103.0548,0.17617618);(103.1635,0.01701702);(105.0337,0.01201201);(105.0396,0.00700701);(106.2647,0.00600601);(107.0141,1.0);(107.0458,0.02502503);(107.1102,0.00900901);(108.021,0.37237237);(108.05,0.00700701);(108.0573,0.00700701);(108.3736,0.00600601);(109.0288,0.05005005);(115.0553,0.11211211);(117.0345,0.13813814);(117.0696,0.07007007);(119.0126,0.02302302);(120.0217,0.04904905);(120.3256,0.00600601);(121.0308,0.00900901);(122.0002,0.07307307);(123.0073,0.09009009);(125.0206,0.03303303);(126.051,0.01001001);(127.0565,0.08308308);(127.0873,0.00800801);(129.0325,0.01501502);(129.0701,0.03003003);(129.9282,0.00600601);(130.0435,0.1041041);(131.0473,0.01801802);(133.0328,0.01601602);(136.0167,0.0960961);(139.0543,0.04304304);(141.0701,0.21421421);(141.105,0.01301301);(143.0491,0.12612613);(145.0651,0.53453453);(145.0996,0.02402402);(145.1198,0.00800801);(145.148,0.00800801);(145.1775,0.00800801);(145.3385,0.00700701);(151.003,0.22822823);(151.0469,0.00900901);(151.0687,0.00800801);(151.1167,0.00600601);(154.0379,0.00700701);(155.0886,0.01801802);(157.0676,0.03503504);(162.9991,0.02702703);(163.0151,0.01001001);(164.0106,0.04404404);(167.0459,0.02502503);(168.0622,0.00800801);(169.0649,0.11111111);(171.0442,0.68968969);(171.0803,0.01301301);(171.0932,0.00800801);(171.1056,0.01301301);(171.1281,0.00800801);(171.166,0.00900901);(171.5362,0.00600601);(172.051,0.04304304);(172.0594,0.02502503);(177.0246,0.01801802);(183.0866,0.02802803);(184.0556,0.01301301);(185.0593,0.38338338);(185.0979,0.01101101);(187.0777,0.03503504);(187.4395,0.01101101);(193.0589,0.02202202);(195.0573,0.00800801);(195.9132,0.00800801);(196.0578,0.00600601);(199.0417,0.00700701);(209.062,0.02202202);(211.0732,0.02302302);(213.0564,0.1031031);(215.0401,0.00700701);(218.541,0.00700701);(219.8622,0.01001001);(221.8931,0.00700701);(224.3573,0.00800801);(226.0575,0.00800801);(227.0699,0.01501502);(255.0618,0.02702703)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.0531,0.02302302);(131.0478,0.13513514);(153.0166,0.32032032);(176.9873,0.02502503);(178.9837,0.02602603);(257.0794,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(103.0546,0.13713714);(107.0503,0.03303303);(131.0486,0.45545546);(151.0386,0.03903904);(153.0157,1.0);(153.0435,0.04004004);(153.0578,0.02502503);(173.0565,0.05905906);(177.989,0.02502503);(179.0302,0.04404404);(257.0771,0.16416416)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.053,0.023);(131.048,0.135);(153.017,0.32);(176.987,0.025);(178.984,0.026);(257.079,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(103.055,0.137);(107.05,0.033);(131.049,0.456);(151.039,0.039);(153.016,1.0);(153.044,0.041);(153.058,0.025);(173.056,0.059);(177.989,0.025);(179.03,0.044);(257.077,0.165)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(103.054,1.0);(131.051,0.12);(153.016,0.613)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(107.014,0.071);(125.024,0.011);(136.016,0.012);(145.065,0.073);(151.003,0.158);(164.01,0.033);(169.066,0.038);(171.044,0.062);(172.052,0.018);(183.08,0.014);(185.06,0.023);(187.075,0.051);(211.074,0.056);(213.055,0.201);(213.093,0.011);(227.071,0.018);(255.066,1.0)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(101.039,0.341);(103.055,0.176);(103.164,0.017);(105.034,0.012);(107.014,1.0);(107.046,0.025);(108.021,0.373);(109.029,0.05);(115.055,0.112);(117.034,0.138);(117.07,0.07);(119.013,0.023);(120.022,0.049);(122.0,0.073);(123.007,0.09);(125.021,0.033);(126.051,0.01);(127.056,0.083);(129.032,0.015);(129.07,0.03);(130.044,0.105);(131.047,0.018);(133.033,0.016);(136.017,0.096);(139.054,0.043);(141.07,0.214);(141.105,0.013);(143.049,0.126);(145.065,0.534);(145.1,0.024);(151.003,0.228);(155.089,0.018);(157.068,0.035);(162.999,0.027);(163.015,0.01);(164.011,0.044);(167.046,0.025);(169.065,0.111);(171.044,0.69);(171.08,0.013);(171.106,0.013);(172.051,0.043);(172.059,0.025);(177.025,0.018);(183.087,0.028);(184.056,0.013);(185.059,0.383);(185.098,0.011);(187.078,0.035);(187.44,0.011);(193.059,0.022);(209.062,0.022);(211.073,0.023);(213.056,0.103);(219.862,0.01);(227.07,0.015);(255.062,0.027)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(107.013,0.044);(108.019,0.01);(125.023,0.01);(145.065,0.045);(151.002,0.092);(164.01,0.01);(169.065,0.024);(171.044,0.039);(173.058,0.012);(185.059,0.015);(187.073,0.013);(195.081,0.01);(211.07,0.014);(211.078,0.011);(213.054,0.07);(213.09,0.05);(214.095,0.013);(255.065,1.0)
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.092906,0.00004706);(50.477514,0.00002029);(50.534181,0.00002029);(50.874905,0.00002206);(51.32426,0.00002034);(51.452382,0.00005159);(51.945933,0.00001719);(52.177242,0.0000522);(52.449814,0.00005397);(52.736524,0.00004244);(52.938617,0.00001644);(52.97657,0.00002113);(53.362874,0.00001912);(53.39654,0.00004195);(53.529026,0.0000134);(53.896106,0.00001505);(53.969257,0.00002673);(54.050769,0.00001776);(54.517001,0.00004562);(54.677716,0.00005018);(54.682021,0.00002517);(55.788121,0.00006255);(56.171018,0.0000199);(56.698696,0.00002015);(56.854487,0.00004465);(56.973575,0.00005647);(57.093853,0.00002235);(57.358838,0.0000461);(57.42636,0.00002409);(57.850953,0.00001664);(58.844768,0.00001916);(59.167216,0.00005386);(59.482446,0.00005076);(59.692255,0.00006546);(59.872987,0.00002608);(60.76025,0.00004913);(60.981899,0.00002077);(61.418304,0.00001888);(61.709835,0.00001936);(61.902903,0.00005618);(62.232631,0.00001491);(62.662303,0.00002448);(63.022663,0.00278062);(63.080665,0.00004167);(63.106753,0.00001562);(63.255372,0.00005438);(63.773426,0.00005146);(63.787062,0.00003586);(63.891472,0.00008868);(64.039395,0.00004175);(64.56388,0.00004945);(65.001931,0.00896956);(65.111014,0.0000542);(65.179395,0.00004814);(65.251311,0.00005042);(65.530791,0.00001473);(65.559935,0.00005499);(65.561902,0.00002365);(66.52,0.00005198);(66.720147,0.0000547);(67.156572,0.00001863);(68.542959,0.00001368);(68.731903,0.00002412);(68.802159,0.00002451);(68.937431,0.00005576);(69.087625,0.00004565);(69.472506,0.00004385);(69.529741,0.00001991);(70.866357,0.00005476);(71.213474,0.00003224);(71.75246,0.00004044);(72.276762,0.00005872);(72.426193,0.00002059);(72.727761,0.00005562);(72.844102,0.00004167);(73.016117,0.00002087);(73.278376,0.00005044);(74.320516,0.00005258);(74.81486,0.00005437);(75.021429,0.00006016);(75.5263,0.00005775);(75.557649,0.00004554);(77.702745,0.00005851);(77.759379,0.00006498);(78.64568,0.00004473);(78.76327,0.0000608);(78.971056,0.00002525);(78.984358,0.0001121);(79.256647,0.00005526);(79.412005,0.00001537);(79.720826,0.00005597);(79.955932,0.00014653);(80.630099,0.00002861);(80.633979,0.00002375);(81.158756,0.00006529);(81.935382,0.0000151);(82.228022,0.00004673);(82.23421,0.00001918);(82.420406,0.0000537);(82.755001,0.00005495);(83.012526,0.01886061);(83.08334,0.0000131);(84.015865,0.00020391);(84.825151,0.00001256);(85.085473,0.00005609);(85.485971,0.00005002);(86.138461,0.00005335);(86.323288,0.00002362);(86.971105,0.00001978);(87.025109,0.00001703);(88.130271,0.00004764);(88.18517,0.00002286);(88.357037,0.00002299);(90.939692,0.000056);(91.017642,0.00620308);(91.659049,0.00005383);(92.522682,0.00005645);(94.074535,0.00004834);(94.581122,0.00006459);(94.979488,0.00017393);(95.471424,0.0000201);(96.958705,0.00008587);(97.180977,0.00005668);(97.958017,0.00001606);(98.00823,0.00004604);(98.127456,0.00004376);(98.270285,0.00002486);(98.381154,0.00002116);(98.608312,0.00001698);(100.114369,0.00005756);(100.526852,0.00005268);(100.620524,0.00005995);(100.711593,0.00002087);(100.922419,0.00005504);(100.943586,0.00002135);(101.436659,0.0000219);(101.690616,0.00002116);(102.156233,0.00005181);(102.329487,0.00004707);(103.83315,0.00004704);(105.593293,0.0000592);(107.012643,0.0159002);(107.331909,0.00005736);(108.008511,0.00001914);(108.015894,0.00033355);(108.423795,0.00002611);(108.49395,0.00001517);(108.515989,0.00001457);(109.42587,0.0000525);(109.479871,0.0000235);(109.633129,0.00001941);(110.15654,0.00005076);(110.373461,0.00004778);(110.763009,0.00003902);(111.074751,0.00002007);(111.601314,0.00005158);(112.279005,0.00002716);(113.535905,0.0000497);(113.706973,0.00001692);(115.545388,0.00005267);(115.550751,0.0000381);(115.822136,0.00005538);(116.927406,0.00002212);(116.992757,0.00002451);(119.049026,0.07370162);(120.052411,0.00529929);(121.028339,0.00093043);(121.956164,0.0000176);(122.031637,0.0010144);(122.128946,0.00004499);(122.170516,0.0000265);(123.007636,0.00022135);(123.205709,0.0000176);(124.896372,0.00005955);(125.023234,0.00401473);(125.874544,0.00004921);(125.955743,0.00001361);(126.258386,0.00006142);(126.635302,0.00006856);(127.650808,0.00005884);(129.638956,0.00002778);(130.832627,0.00005528);(131.251327,0.00005451);(133.028428,0.00078064);(133.461665,0.00006615);(134.474285,0.00005488);(134.670441,0.00001801);(135.007602,0.05922279);(135.348373,0.00002297);(135.54554,0.00002589);(135.897752,0.00002512);(136.010866,0.00358158);(136.016003,0.0006051);(136.746042,0.00005442);(137.16196,0.00001451);(139.833405,0.00002747);(141.070331,0.00015513);(141.557142,0.00004875);(142.017893,0.00006659);(142.451183,0.00002659);(143.321478,0.00002407);(145.05869,0.00006714);(145.06482,0.01819878);(145.315103,0.0000257);(146.068129,0.00099794);(146.107479,0.00005732);(147.444431,0.00001623);(150.334952,0.00001944);(150.646218,0.00004289);(150.689615,0.00003176);(151.002646,0.06378532);(151.181769,0.00002215);(152.006049,0.00407041);(152.6095,0.00002253);(153.018237,0.0126673);(153.90342,0.00004534);(154.021489,0.00021104);(155.340315,0.00002218);(155.85416,0.00002816);(157.180044,0.00004722);(157.291634,0.00005575);(157.554631,0.00002423);(159.113875,0.00004883);(161.311444,0.00005128);(161.99243,0.00002364);(163.233274,0.00001545);(164.010639,0.0094297);(164.047143,0.00001742);(165.013784,0.00011376);(166.793251,0.00001962);(167.067789,0.00008271);(167.085987,0.00065084);(168.138323,0.00001347);(169.013366,0.00165456);(169.024171,0.00001786);(169.065063,0.01172187);(169.287812,0.00002197);(170.068279,0.00048822);(170.86925,0.00002559);(171.044273,0.01167148);(172.052435,0.00089517);(172.822295,0.00001727);(174.052385,0.00001982);(176.06537,0.00002606);(176.993392,0.00015011);(177.018588,0.00170239);(181.726442,0.00005897);(183.080868,0.00368858);(184.001005,0.00519454);(184.083902,0.00002824);(184.503816,0.00095448);(184.789463,0.00001597);(184.998779,0.00006197);(185.059986,0.00151408);(186.046356,0.00002013);(187.075744,0.01867716);(188.079135,0.00122529);(189.242087,0.0000605);(190.634334,0.00005198);(192.622421,0.00005561);(193.065322,0.00099619);(198.364289,0.00008166);(200.500127,0.00033989);(200.653474,0.00004382);(201.451123,0.00001837);(210.533457,0.00006954);(211.064975,0.00022804);(211.07607,0.03127033);(211.087226,0.00003115);(212.065679,0.000013);(212.079363,0.00437206);(213.055305,0.08314077);(214.058754,0.01097919);(215.112329,0.0000452);(216.220151,0.00006828);(216.235933,0.00098928);(216.247967,0.00123013);(216.254713,0.00045276);(216.264079,0.00016429);(217.835304,0.0000744);(219.845317,0.00003982);(220.5209,0.00001874);(220.852769,0.00002357);(221.39182,0.00002277);(221.81167,0.00005426);(224.237756,0.00001783);(227.070955,0.00573165);(227.399879,0.00002471);(227.814186,0.0000533);(228.074077,0.00006176);(231.874858,0.00005473);(233.170195,0.00001974);(243.137267,0.00006015);(245.557104,0.00004146);(246.008513,0.00005993);(246.551941,0.00004677);(250.99195,0.00006209);(253.050936,0.00002196);(253.216414,0.00008565);(253.949141,0.00005849);(254.055636,0.00005565);(254.079989,0.00029362);(254.866297,0.00004813);(255.041366,0.0004842);(255.066091,1.0);(255.232855,0.13728125);(255.589321,0.00142171);(256.069638,0.16696443);(256.236199,0.02256251);(256.273107,0.00005888);(257.043819,0.0000242);(257.071949,0.0087451);(257.240079,0.00004839);(258.271124,0.00005344)
LC-MS/MSLC-ESI-QFTPositivemediumView Spectrum(52.88364,0.00009352);(53.0302,0.00008886);(53.246928,0.00009508);(53.669784,0.00008974);(53.939816,0.00039692);(54.100691,0.00008717);(54.49206,0.00012265);(54.891858,0.00007456);(54.986525,0.00137049);(55.054968,0.00033993);(55.351779,0.0000986);(55.935159,0.01139903);(56.08237,0.00011036);(56.603053,0.00010701);(56.942993,0.00024044);(56.965567,0.01349094);(57.070612,0.00241102);(57.127904,0.00011329);(57.602032,0.00007949);(57.747397,0.00012277);(58.065873,0.03362529);(58.3864,0.00010952);(59.51842,0.00009276);(60.045126,0.00030867);(60.600994,0.00011105);(60.612329,0.00009369);(60.727326,0.0000929);(61.011382,0.05840725);(61.582082,0.00010794);(61.628394,0.00010838);(62.019214,0.0310837);(62.021026,0.00012852);(62.060759,0.0051193);(62.512189,0.00012622);(62.982476,0.00013332);(62.994988,0.00009936);(63.007126,0.00038315);(63.022587,0.00020849);(63.027022,0.00566029);(64.014996,0.00049642);(64.450526,0.00009258);(65.534706,0.00008842);(65.921837,0.00011675);(66.625155,0.0000956);(67.12836,0.00009252);(67.141194,0.00007884);(67.261199,0.00008916);(67.434865,0.00010321);(68.069801,0.00013538);(68.49337,0.00011923);(69.070513,0.00049601);(69.934664,0.00176664);(69.950704,0.00022711);(70.065832,0.00023534);(70.882181,0.0000908);(70.94245,0.00064432);(70.958556,0.00024228);(71.049843,0.00011704);(71.086199,0.00190019);(71.142002,0.00010258);(71.26565,0.00011924);(71.929967,0.03007748);(71.952597,0.0003855);(72.081546,0.00007907);(72.116933,0.00013609);(72.878533,0.00010507);(72.937783,0.01572575);(73.772756,0.00011414);(73.945623,0.00078562);(73.968206,0.00009556);(74.060797,0.0000769);(74.198052,0.00011382);(74.548814,0.00008021);(74.953452,0.00080998);(75.183035,0.0001071);(76.463862,0.00014889);(77.553612,0.00009811);(77.84468,0.00009804);(77.998486,0.00008817);(78.013986,0.00119444);(79.021824,0.01440619);(79.109373,0.00010048);(79.335438,0.00010878);(80.948471,0.00129154);(81.070438,0.00071606);(82.133444,0.00008004);(82.9315,0.00008269);(82.945477,0.00020704);(83.08613,0.0002892);(83.749063,0.00009501);(84.081368,0.00032199);(84.388084,0.00007421);(85.040211,0.00072244);(85.101644,0.00046428);(85.91166,0.0000941);(86.097032,0.00031207);(86.66444,0.00009397);(87.386145,0.00016354);(87.827871,0.00011253);(87.906974,0.00799147);(87.945139,0.00025987);(88.914806,0.00113547);(88.952899,0.00159242);(88.968958,0.00012017);(89.060243,0.01497265);(89.9404,0.01375965);(90.092102,0.00010103);(90.948186,0.02091619);(91.566363,0.00018307);(93.070277,0.00013271);(93.475871,0.000106);(94.541282,0.00011467);(95.086012,0.00082366);(95.580375,0.00012215);(97.286695,0.00011784);(97.650925,0.00007893);(98.409567,0.00010735);(98.975787,1.0);(99.975397,0.00017344);(99.979099,0.08687368);(100.971796,0.02543522);(100.979938,0.01486456);(101.003563,0.07070536);(101.950238,0.0702994);(101.971883,0.00297464);(102.003264,0.00018396);(102.006988,0.00098246);(102.930417,0.00015661);(102.948044,0.00343384);(102.968608,0.03534868);(102.999326,0.00085237);(103.922033,0.0017872);(104.107362,0.0037525);(104.963748,0.00013849);(105.917397,0.01886707);(105.935125,0.00105158);(105.971666,0.00009265);(106.532346,0.00011649);(106.925346,0.00068046);(106.963242,0.00012795);(107.000389,0.00008363);(107.085925,0.00011878);(107.626995,0.00008332);(107.950754,0.00583165);(108.371739,0.00009924);(108.958574,0.00388574);(109.101349,0.00007651);(111.296754,0.00011444);(115.921925,0.00051051);(116.005441,0.00125373);(116.2258,0.0001287);(116.909419,0.00384375);(116.986166,0.44295948);(117.0034,0.00059117);(117.508201,0.0000984);(117.917226,0.00858261);(117.934782,0.00009306);(117.976678,0.00074362);(117.985384,0.00017434);(117.989472,0.03869765);(118.001881,0.00008553);(118.577631,0.00011582);(118.925065,0.0052129);(118.936334,0.00008374);(118.942791,0.00416577);(118.947352,0.00007821);(118.982162,0.01088404);(118.99034,0.007103);(119.001341,0.02453946);(119.919033,0.0004342);(119.932876,0.00093235);(119.96059,0.02072411);(119.982309,0.00021136);(120.940658,0.00378556);(120.958377,0.00055637);(120.978966,0.01418198);(121.927826,0.00009493);(122.168626,0.00013416);(122.974251,0.0001873);(122.991581,0.00008415);(123.117054,0.00044039);(123.755957,0.00009786);(123.927722,0.00414794);(123.945594,0.00029745);(123.965949,0.00008342);(124.935586,0.00068861);(125.961129,0.00446108);(127.66007,0.00007412);(129.532365,0.00011458);(130.678025,0.00010472);(131.001676,0.01122653);(131.952942,0.00015865);(132.924438,0.00286155);(132.958497,0.00177735);(133.085952,0.00678761);(133.169207,0.00011945);(133.911799,0.00007961);(133.93227,0.0010528);(133.948362,0.00344069);(133.959205,0.00008336);(134.089238,0.00008369);(134.919797,0.04410758);(134.925348,0.00021384);(134.956146,0.05329664);(134.978816,0.00209174);(134.996498,0.09723988);(135.185863,0.00011905);(135.921514,0.00013426);(135.927592,0.0120331);(135.948641,0.00042353);(135.999903,0.00854428);(136.93542,0.00198517);(136.952916,0.00219093);(136.992427,0.00057912);(137.001687,0.00026109);(137.011751,0.14104521);(137.017855,0.00255185);(137.943258,0.00429515);(137.971009,0.0053865);(137.999596,0.00020748);(138.951039,0.00212279);(138.989581,0.00210878);(139.701263,0.00011098);(140.959235,0.03136682);(141.384988,0.00009736);(141.938285,0.00037418);(143.266885,0.00011403);(143.346788,0.00011406);(143.389149,0.00008202);(144.986514,0.00007966);(146.007009,0.00027546);(146.973893,0.00013733);(147.004732,0.00047993);(147.92755,0.00043462);(147.947828,0.00027858);(147.957808,0.00009317);(147.963946,0.00388887);(148.003276,0.00007776);(148.650631,0.00009123);(148.935504,0.00026279);(148.955823,0.00547595);(148.971863,0.00270974);(149.012101,0.00215843);(149.943232,0.01525649);(149.953496,0.00117649);(149.963372,0.00152006);(150.896929,0.00165472);(150.935783,0.00040293);(150.95105,0.09652787);(150.968927,0.00249826);(151.027268,0.0011476);(151.096181,0.00010585);(151.451743,0.00013906);(151.547213,0.00024822);(151.904855,0.00028066);(151.922448,0.00031966);(151.943003,0.00037409);(151.951454,0.00142417);(151.958896,0.00621104);(151.998355,0.00015376);(152.930332,0.01524775);(152.951701,0.00189928);(152.966688,0.03183731);(153.006914,0.00452744);(153.938117,0.00477632);(154.552481,0.00008158);(154.665502,0.00010449);(154.967419,0.00018574);(155.022222,0.04494392);(155.953705,0.00180802);(155.981557,0.000407);(156.93325,0.00092721);(156.94634,0.00007437);(158.745245,0.00008236);(158.958944,0.00035839);(159.458016,0.00013668);(159.956309,0.00596639);(160.9353,0.00188428);(160.95605,0.00347041);(161.011441,0.00040214);(161.954012,0.00016742);(161.964788,0.00298295);(162.951023,0.01001734);(163.517187,0.00007648);(163.942766,0.00604159);(163.951304,0.00009646);(163.959009,0.00431018);(163.976544,0.00078694);(164.940219,0.00028571);(164.966812,0.00228466);(164.984373,0.00022328);(165.562831,0.0040235);(165.675297,0.00010564);(165.920428,0.00675276);(165.938186,0.01810491);(165.959426,0.00545236);(165.974663,0.00080502);(166.921416,0.00009724);(166.946065,0.00068473);(166.966052,0.00187062);(166.982341,0.00089617);(167.93621,0.00444716);(167.953753,0.04665661);(168.907371,0.00082854);(168.944286,0.00071942);(168.954262,0.00060028);(168.96163,0.03005905);(168.969829,0.00014731);(169.915227,0.00025787);(169.932891,0.0004435);(170.962404,0.00026596);(171.062659,0.0002579);(171.797627,0.00012477);(171.875515,0.00013785);(172.907107,0.00016906);(175.958783,0.02184317);(176.77106,0.00008984);(176.967412,0.00045063);(176.989287,0.48134394);(177.112245,0.00013535);(177.938212,0.00098895);(177.95465,0.00009019);(177.967515,0.00064046);(177.974801,0.00052962);(177.979289,0.00015596);(177.992924,0.11184457);(178.908094,0.00341195);(178.946204,0.03949127);(178.965993,0.00621636);(178.985078,0.14569647);(178.99355,0.0173383);(179.022101,0.01210907);(179.065728,0.00009411);(179.920443,0.00193533);(179.936032,0.00981337);(179.945684,0.00055904);(179.954511,0.0044499);(179.963624,0.06318959);(179.973236,0.00072407);(179.987523,0.00468816);(180.022988,0.00045091);(180.501147,0.00011532);(180.894314,0.00049334);(180.928857,0.00484963);(180.943779,0.08244695);(180.961333,0.01340036);(180.98342,0.10970012);(181.01896,0.00013244);(181.915247,0.01725317);(181.935587,0.00019666);(181.952974,0.00332362);(181.96963,0.00090167);(182.943853,0.00008154);(182.950665,0.00016943);(182.977265,0.00183067);(183.448149,0.00011855);(183.589695,0.00007872);(183.930932,0.01224516);(183.948693,0.00402437);(183.970482,0.01616746);(184.169459,0.00021162);(184.932422,0.00013907);(184.956213,0.00012328);(185.947872,0.00052704);(185.964361,0.05967001);(186.02262,0.00011609);(186.943588,0.00021712);(186.95883,0.0001291);(186.961672,0.00013662);(186.965316,0.00027331);(187.195688,0.00013782);(188.188514,0.00012751);(189.081171,0.00014073);(189.123916,0.00012504);(192.446802,0.00011343);(192.961564,0.02902556);(193.969643,0.00577156);(194.347604,0.00007638);(194.940635,0.00008494);(194.95736,0.0004844);(194.999803,0.42918882);(195.920082,0.00015155);(195.949808,0.00517583);(195.989502,0.00040238);(196.003408,0.10996347);(196.16956,0.00041865);(196.184619,0.000079);(196.902371,0.00293124);(196.918652,0.00137701);(196.939407,0.00020245);(196.946909,0.00011836);(196.957024,0.02954777);(196.995586,0.13653979);(197.004387,0.01388344);(197.014638,0.00149626);(197.031566,0.00015685);(197.930768,0.00120029);(197.946601,0.03386069);(197.956613,0.00067996);(197.974362,0.15766671);(197.997687,0.00489173);(198.954471,0.07404699);(198.977112,0.00178045);(198.99422,0.63815264);(199.92581,0.02100055);(199.961841,0.00020957);(199.980105,0.00082083);(200.369546,0.0001443);(200.998891,0.00012559);(201.941513,0.00475427);(201.981663,0.0004045);(203.868669,0.00012596);(203.930219,0.00008206);(205.898609,0.00010513);(209.015477,0.00946783);(210.01905,0.00098149);(210.972184,0.01436523);(211.011133,0.00190682);(211.962079,0.00106157);(211.989959,0.00165996);(212.200871,0.00035682);(212.933724,0.00024395);(212.969892,0.00398563);(213.010162,0.0437298);(213.941925,0.00012784);(214.013357,0.00799745);(214.555338,0.00011735);(215.006099,0.00907061);(215.016667,0.00010127);(215.331569,0.00009888);(215.566743,0.00014941);(215.780363,0.00011239);(215.984838,0.03226244);(216.153047,0.00055978);(216.182926,0.00248332);(216.188705,0.00318282);(216.19965,0.00146702);(217.004784,0.06107664);(217.844582,0.00014273);(218.973813,0.00021771);(220.954813,0.00033169);(222.0604,0.00008116);(223.979908,0.00427858);(227.15994,0.00012388);(228.25208,0.00009211);(228.965138,0.00072259);(229.999866,0.00010887);(232.959118,0.00021418);(235.167127,0.00011017);(237.223223,0.00010008);(237.917162,0.00011145);(238.216859,0.00008117);(239.01484,0.00008013);(239.042682,0.00011829);(239.149197,0.00070303);(240.19569,0.00032589);(240.268389,0.00391908);(241.27303,0.00016018);(241.990596,0.00023654);(242.18433,0.0001164);(243.685027,0.00008893);(245.967985,0.00035489);(246.013909,0.00008386);(251.974713,0.00025395);(255.002815,0.00202186);(255.065067,0.00358507);(255.171031,0.00020987);(255.231881,0.00019074);(256.068455,0.00153488);(256.09725,0.00122115);(256.133225,0.00419014);(256.154278,0.00013842);(256.168793,0.00140429);(256.191321,0.00056004);(256.205869,0.00330535);(256.263504,0.00324765);(256.299729,0.00887357);(256.960781,0.00022041);(257.099754,0.00340569);(257.136208,0.00446922);(257.186417,0.00012832);(257.209011,0.00016006);(257.303387,0.00117089);(257.950078,0.00026716);(257.977374,0.00038963);(258.111234,0.00025948);(258.148732,0.00049721);(258.170123,0.00010074);(258.184795,0.00089304);(258.206827,0.00066559);(258.221699,0.00213715);(258.244142,0.00008289);(258.279091,0.05416211);(258.957544,0.00131467);(258.997536,0.00405615);(259.115498,0.00418886);(259.151638,0.0081361);(259.166359,0.00013525);(259.282048,0.00031166);(261.030226,0.00013406)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.211634,0.00008396);(50.514523,0.00011477);(50.926225,0.000266);(51.320263,0.00006986);(51.335065,0.0002058);(51.425458,0.00032454);(51.456595,0.00029685);(51.517267,0.00027403);(51.542496,0.00013613);(51.645745,0.00013362);(51.842617,0.00028779);(51.868841,0.00010873);(51.979325,0.00031855);(52.035288,0.00018254);(52.614058,0.00013726);(52.789041,0.00019294);(52.828433,0.00027744);(52.949484,0.00015592);(53.204676,0.0000848);(53.343824,0.00006522);(53.689113,0.00012444);(53.818416,0.00011455);(53.905188,0.00006281);(54.062321,0.00010971);(54.755916,0.00019248);(55.300394,0.00013406);(55.550274,0.00011842);(56.052791,0.00013101);(56.089367,0.00019107);(56.785949,0.00022895);(56.821709,0.00007265);(57.152056,0.00011652);(57.67446,0.00007049);(58.40073,0.00019096);(58.463255,0.00008479);(58.887497,0.0001718);(59.006945,0.00006699);(59.012498,0.00026324);(59.538128,0.00009993);(59.702596,0.00013212);(59.786103,0.00021851);(60.035029,0.00011399);(60.057435,0.00026983);(60.210475,0.00015695);(60.349701,0.00015884);(60.809842,0.00027567);(61.049662,0.00019625);(61.066016,0.00021786);(61.086302,0.00033034);(61.24248,0.00010878);(61.541314,0.00012196);(62.556738,0.00010775);(62.761178,0.0000754);(62.822219,0.00010865);(62.832082,0.00011076);(63.022686,0.0459994);(63.026357,0.00009066);(63.120195,0.00019047);(63.784603,0.0002907);(63.828405,0.00024854);(64.074913,0.00025299);(64.778732,0.00007006);(64.847845,0.0000734);(64.858911,0.00008158);(64.911072,0.00008949);(64.944956,0.00024065);(65.001932,0.07868391);(65.003761,0.00049774);(65.626115,0.00008083);(65.923628,0.00011182);(66.005273,0.00024198);(66.32004,0.00006798);(66.347592,0.0000832);(67.017523,0.00020341);(67.267117,0.00022476);(68.06538,0.00027832);(68.404508,0.00010366);(68.873282,0.00022077);(68.97028,0.00034276);(69.245962,0.00037092);(69.821091,0.00018284);(69.957736,0.00025173);(70.306187,0.00029057);(70.573881,0.00023883);(70.986891,0.00031278);(71.4178,0.0003286);(71.482766,0.000074);(71.62703,0.00007894);(71.926029,0.00022657);(73.251437,0.00022624);(73.890344,0.0001243);(76.047313,0.00007223);(76.208873,0.00028652);(76.559376,0.00010023);(77.063235,0.0000901);(77.498751,0.00021915);(77.646862,0.00012525);(77.959413,0.00027747);(78.056651,0.00011477);(78.263624,0.00028918);(78.926512,0.00010608);(78.99475,0.00011452);(79.477338,0.00031545);(79.955953,0.00159351);(80.051176,0.00007951);(81.055504,0.00014384);(81.222408,0.00012594);(81.362187,0.0000772);(82.280106,0.00020507);(83.012538,0.11107886);(83.465223,0.00008945);(83.719205,0.00030567);(84.015759,0.00157559);(84.599284,0.00024163);(84.988976,0.00018839);(85.845701,0.00012038);(87.151173,0.00032201);(87.533845,0.00023291);(87.815969,0.00027093);(88.342811,0.00026695);(88.609996,0.00026454);(88.62917,0.00023797);(89.924792,0.00030309);(90.158239,0.00010163);(91.017676,0.0392683);(91.020759,0.0003282);(91.021581,0.00031088);(91.501035,0.0002295);(92.020767,0.00049932);(92.026042,0.00021084);(93.310741,0.00023912);(93.499179,0.0001447);(94.014261,0.00024419);(94.042195,0.00021245);(94.095741,0.00009982);(95.012543,0.00019108);(96.476976,0.00026916);(96.712976,0.00017632);(97.137122,0.00024682);(97.607641,0.00023434);(99.375012,0.00028666);(99.708321,0.00024816);(99.851132,0.00008549);(100.263635,0.00011284);(100.549456,0.0002768);(100.724626,0.00007429);(103.71223,0.00027173);(103.802277,0.00019119);(104.101554,0.00007327);(104.739026,0.00008234);(106.338259,0.00007522);(107.012663,0.14280649);(108.015993,0.00510092);(108.020343,0.0045898);(109.419399,0.00035384);(110.379797,0.00026834);(110.657847,0.00007678);(111.82071,0.0002811);(112.606332,0.00026754);(112.645377,0.00017893);(114.259038,0.00010806);(115.054455,0.00014614);(115.270494,0.00026386);(116.233944,0.00014263);(116.748635,0.000106);(117.03315,0.00014337);(117.353862,0.00030752);(118.257837,0.00030595);(118.95638,0.00012244);(119.04905,0.22649695);(119.988075,0.00028265);(120.020632,0.00055838);(120.052429,0.01593532);(121.028343,0.00183746);(121.635682,0.00012886);(122.031637,0.00167443);(123.007583,0.00680539);(123.508116,0.00036111);(124.015307,0.0001468);(124.362832,0.0002646);(124.411316,0.00023268);(125.023236,0.01408248);(127.053921,0.00021949);(127.814352,0.00006824);(128.057406,0.00028719);(128.865181,0.00008761);(130.040767,0.00025007);(131.164287,0.00018433);(131.275293,0.00027792);(131.472108,0.00006579);(133.028367,0.00686199);(133.797755,0.00020803);(134.079794,0.00009866);(135.007606,0.09084933);(135.749088,0.00027817);(135.924206,0.00008124);(136.010672,0.00161752);(136.015554,0.01658897);(136.268568,0.00023234);(138.004083,0.00015483);(138.100599,0.00011877);(139.475455,0.00022812);(140.836577,0.00029295);(141.069931,0.00590261);(142.48126,0.0001187);(143.049208,0.00020598);(143.277166,0.00022617);(143.683221,0.0001181);(145.064832,0.12095179);(146.068194,0.00943205);(148.412866,0.00011237);(149.151813,0.00015737);(149.688632,0.00011587);(150.02655,0.00029802);(150.055248,0.00022589);(150.621962,0.00028969);(150.682704,0.00010123);(150.872737,0.00019018);(151.002654,0.31072551);(151.751111,0.00030978);(151.897701,0.00007482);(152.006008,0.02094107);(152.965191,0.00011102);(153.018381,0.01390726);(155.085629,0.00077474);(155.365556,0.00022164);(155.666386,0.00022277);(156.010954,0.00012675);(156.163561,0.00016831);(157.064837,0.00047156);(157.454297,0.000082);(158.482758,0.00028501);(160.605455,0.00012616);(161.069876,0.0002195);(162.604017,0.0000991);(164.010654,0.05365773);(165.013946,0.00108013);(166.294706,0.00007069);(166.333752,0.00007522);(167.085829,0.00258483);(169.013376,0.00651814);(169.064996,0.06655768);(169.986446,0.00025885);(170.068389,0.00477679);(170.136508,0.00033116);(171.044257,0.10690498);(172.052431,0.02252375);(172.241138,0.00009355);(172.945717,0.00012851);(173.850378,0.00022392);(176.993343,0.00082196);(177.018499,0.00508428);(178.48858,0.00035711);(179.511673,0.00024299);(180.668151,0.00032276);(183.080832,0.02445391);(184.000963,0.02685588);(184.084338,0.0007368);(184.502851,0.00373868);(184.716567,0.00022102);(184.998423,0.0005244);(185.060137,0.02713725);(186.064405,0.00014235);(187.075701,0.072801);(188.079223,0.00596047);(188.393455,0.00028002);(188.615696,0.00025058);(188.853094,0.0001024);(190.204503,0.00025113);(191.008748,0.00014206);(193.065209,0.0051052);(194.999827,0.00019332);(196.000623,0.00023235);(196.052368,0.00040578);(196.582545,0.00014957);(196.981366,0.00012987);(197.027573,0.0001007);(198.759767,0.00028233);(198.788405,0.00021778);(200.49984,0.00012178);(200.999208,0.00007306);(201.840238,0.00022528);(207.766477,0.00012338);(208.031619,0.00008793);(209.060627,0.00030091);(209.448556,0.0000762);(210.443463,0.0003149);(211.076113,0.11257248);(212.02286,0.00009189);(212.079477,0.01555783);(213.055283,0.30091633);(214.058713,0.04107074);(215.062318,0.00009374);(215.640186,0.00010427);(216.245562,0.00693883);(218.462529,0.00009024);(219.403446,0.00023053);(223.250084,0.00031922);(225.848071,0.00007852);(227.07109,0.02621737);(227.447216,0.00027724);(228.074491,0.00084123);(228.552189,0.00026381);(229.993287,0.00029968);(232.513544,0.00014883);(233.062198,0.0003733);(233.162344,0.00010912);(234.150974,0.00010244);(236.316989,0.00022395);(237.02891,0.00013002);(240.042561,0.00011588);(244.3248,0.00008845);(248.597527,0.00013745);(248.609785,0.00007566);(249.445735,0.00010726);(254.254582,0.0003789);(255.066161,1.0);(255.106007,0.00223084);(255.232865,0.10543153);(256.069755,0.16563313);(256.236297,0.01700336);(256.650091,0.00032638);(257.072121,0.00494911)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.639261,0.00030739);(50.640989,0.00052229);(51.237115,0.00076767);(51.245733,0.00023891);(51.467428,0.00103618);(51.506187,0.00042733);(51.535282,0.00031853);(51.585341,0.00142246);(51.679397,0.00138047);(51.701552,0.00087452);(51.927218,0.00058298);(52.06303,0.00129359);(52.20512,0.00084874);(52.461678,0.00093967);(52.520922,0.00044899);(52.627937,0.00077539);(52.814159,0.00094925);(53.555257,0.00035058);(53.641609,0.00059148);(53.802552,0.00060533);(53.83579,0.0012223);(53.922831,0.00032996);(53.996712,0.00044865);(54.297061,0.00035919);(54.352271,0.00048867);(54.893262,0.00043065);(55.02006,0.00088137);(55.071298,0.0003061);(55.072751,0.00029454);(55.404689,0.00044169);(55.57031,0.00035931);(55.861803,0.00046307);(56.436884,0.00023387);(56.786361,0.00069002);(56.824232,0.00033116);(56.956692,0.00029639);(57.0234,0.00085006);(57.033195,0.00463978);(57.05433,0.0003891);(57.177763,0.0006206);(57.41135,0.00092179);(57.624199,0.00036123);(57.734295,0.00091172);(57.989302,0.00073301);(58.122513,0.00087023);(58.265434,0.00036844);(58.695123,0.00038497);(59.012507,0.01132855);(59.02505,0.00043671);(60.191222,0.00047692);(60.235313,0.00072461);(60.287594,0.00047531);(60.863126,0.00075714);(61.429463,0.00032919);(61.55322,0.00079349);(61.751443,0.00082262);(62.316732,0.0009704);(62.350409,0.00027582);(63.013255,0.00085779);(63.022682,0.81127645);(63.179045,0.00108774);(63.519195,0.00040136);(64.026049,0.02598482);(64.289072,0.00037611);(64.490014,0.00069128);(64.642831,0.00098174);(64.908715,0.00026622);(65.001933,1.0);(65.198059,0.00028086);(65.335392,0.00026381);(65.447734,0.00055398);(65.612951,0.00040032);(65.877405,0.00085048);(66.005314,0.02429592);(66.021503,0.00086228);(66.46383,0.0009517);(66.542101,0.0009127);(66.9366,0.00062669);(67.017614,0.01192713);(67.549662,0.00049118);(67.553096,0.00048744);(68.070819,0.00045655);(68.483006,0.0003793);(68.830909,0.00037955);(68.996862,0.12685547);(69.033092,0.00062594);(69.200487,0.00067289);(69.86522,0.00087337);(70.536727,0.00093732);(70.796849,0.00083914);(70.811213,0.00076137);(70.842844,0.00066434);(71.177959,0.00040705);(72.272062,0.00050143);(72.506961,0.0012357);(72.769872,0.00043169);(72.7736,0.00123262);(72.836807,0.00103383);(72.940838,0.00071339);(73.109432,0.00029369);(73.757262,0.00120681);(74.154481,0.00082668);(74.731337,0.00054682);(75.149535,0.00033589);(75.281968,0.00134561);(75.685106,0.0004784);(75.90398,0.00127429);(76.118235,0.00093235);(76.422273,0.00039376);(77.930532,0.00025445);(78.041425,0.00041087);(78.151811,0.00029959);(78.198689,0.00030989);(79.017518,0.00230318);(79.021577,0.00102579);(79.953525,0.00052401);(79.95602,0.02818958);(80.025397,0.02290266);(80.377945,0.0011001);(80.963687,0.00046836);(81.033274,0.00336885);(81.442001,0.00107874);(81.606303,0.00087279);(81.972489,0.00026064);(82.088118,0.00051954);(83.012541,0.70979823);(83.015283,0.00579777);(84.003749,0.00098622);(84.0159,0.01349425);(84.280135,0.00045531);(84.914192,0.00091715);(86.381052,0.00114152);(86.964104,0.00131956);(88.024073,0.00117662);(89.038239,0.00050833);(89.346966,0.00046739);(90.730599,0.00032923);(91.00812,0.0004688);(91.017672,0.26494668);(91.16124,0.00079436);(91.185113,0.0007799);(91.763137,0.00036665);(92.021121,0.00486979);(93.03322,0.00329277);(94.979519,0.00145651);(95.012577,0.0303563);(95.290817,0.00025654);(95.446503,0.00079811);(96.743293,0.00037406);(97.028455,0.00108996);(97.520246,0.00059926);(97.571966,0.00032304);(98.595369,0.00041826);(98.604996,0.00102414);(98.707189,0.00071536);(99.393046,0.00045251);(99.475108,0.00071939);(99.541959,0.00072203);(100.035278,0.00036733);(100.614652,0.00030369);(101.038387,0.02085033);(103.715569,0.00055832);(103.919683,0.00092586);(104.773985,0.00035643);(104.792787,0.0002585);(105.183466,0.00029977);(105.97563,0.00033598);(106.751016,0.00098074);(106.852387,0.00042294);(107.012654,0.82098356);(107.031176,0.00041879);(108.016242,0.03623511);(108.020473,0.17924837);(109.023919,0.00129352);(109.028193,0.00217609);(110.041584,0.00035029);(110.824316,0.00032932);(111.076118,0.00037921);(111.624238,0.00025516);(111.646901,0.00117289);(112.093587,0.00084218);(113.031501,0.0004072);(113.413304,0.00088265);(114.541272,0.00030588);(114.63422,0.00091734);(114.887123,0.00067139);(115.054173,0.01427267);(115.19587,0.00116079);(115.721337,0.00035359);(116.292203,0.00119261);(116.850794,0.00039521);(117.03349,0.031109);(117.06979,0.01638899);(117.370867,0.00088688);(117.63539,0.00044451);(118.761257,0.00033648);(119.049071,0.97211342);(119.126221,0.000498);(119.136813,0.00026505);(119.50495,0.00030461);(119.575725,0.00031468);(119.779726,0.00028633);(120.020533,0.00668868);(120.052469,0.07146761);(120.141269,0.0003386);(120.694427,0.00027612);(121.028733,0.00157616);(121.261931,0.0010774);(121.508365,0.00086312);(121.999657,0.00087562);(122.021718,0.00069052);(122.647811,0.00081903);(122.787501,0.00121413);(123.007716,0.07725807);(124.015219,0.00121138);(124.60153,0.00049665);(124.81838,0.00106027);(125.023343,0.0150351);(125.959361,0.00093003);(125.969463,0.00043894);(125.98564,0.00040415);(127.054274,0.02558645);(127.705507,0.0002968);(129.578745,0.00027035);(129.807242,0.0003882);(129.829335,0.00037112);(130.041431,0.03751636);(132.069088,0.00047233);(133.028519,0.01323355);(133.569578,0.00064676);(135.007707,0.06000243);(135.733829,0.00066295);(136.015471,0.10171128);(136.37202,0.00025838);(137.083614,0.00027653);(139.054768,0.00050166);(140.959482,0.00046442);(141.069919,0.10873928);(141.314331,0.0007824);(142.073226,0.00247697);(143.049205,0.04121102);(144.184698,0.00038437);(144.212504,0.00110327);(145.064849,0.58770557);(145.347997,0.00088442);(145.451365,0.00036823);(145.731179,0.00109594);(146.068326,0.05151161);(147.043762,0.00029133);(147.327696,0.00042713);(147.416771,0.00102919);(147.599738,0.00029073);(149.974346,0.0002773);(151.002678,0.6004318);(152.006157,0.0326619);(152.549976,0.00040869);(153.018401,0.00269836);(155.085793,0.00680661);(155.511033,0.0010804);(155.524308,0.00095729);(156.200254,0.00032386);(157.065036,0.01196338);(158.453836,0.00127727);(159.11531,0.00103617);(159.908339,0.00032384);(161.608672,0.00029788);(163.00328,0.00103694);(163.283891,0.00105998);(163.748544,0.00034364);(164.010654,0.08914257);(165.014272,0.00229479);(165.070122,0.00220907);(167.049397,0.00155202);(167.085304,0.00104867);(167.591399,0.00151991);(168.918605,0.00115475);(169.013674,0.00240744);(169.065032,0.1826393);(169.15032,0.00098046);(170.068278,0.0124055);(170.562419,0.00038192);(171.044208,0.69873952);(171.068327,0.00121508);(171.982572,0.00111275);(172.053054,0.12371151);(172.171601,0.0004325);(173.055618,0.0030511);(173.18388,0.00036529);(176.529547,0.00093876);(176.922702,0.00038442);(177.018549,0.00597001);(177.493953,0.00036374);(178.634843,0.00136744);(179.053033,0.00039783);(180.459437,0.00110142);(180.632981,0.00047971);(180.724206,0.00082285);(181.148752,0.00034718);(181.93806,0.00066994);(183.01104,0.00065672);(183.028252,0.00093256);(183.080834,0.04646362);(184.001025,0.0494921);(184.502623,0.0044941);(185.060081,0.26744857);(186.063639,0.02105725);(187.075654,0.07916162);(188.079592,0.00198132);(188.742279,0.00099196);(191.008832,0.00041899);(193.065526,0.00200774);(196.862688,0.00043094);(197.027016,0.00722693);(197.071711,0.00068629);(198.034982,0.00049026);(199.441181,0.00039623);(199.457435,0.00036147);(199.554449,0.00037757);(200.194858,0.00087863);(207.415252,0.00036103);(211.076027,0.08426161);(211.619279,0.0003012);(212.079699,0.00050856);(213.05521,0.33736213);(214.058827,0.03765273);(215.734092,0.00075353);(217.692807,0.00139498);(219.771549,0.00214532);(219.784718,0.00727938);(219.801265,0.003794);(221.585244,0.00030619);(225.178629,0.00043036);(226.450418,0.00044065);(226.791979,0.0005521);(227.071099,0.0224819);(230.347722,0.00028924);(230.896466,0.00034424);(243.704301,0.00041134);(245.586583,0.00122516);(247.054223,0.00093967);(254.840143,0.00104392);(255.06629,0.17228164);(255.102856,0.00032286);(256.069886,0.01311745);(256.234616,0.00032317)
LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.086186,0.00009628);(50.206376,0.00009072);(50.33351,0.00005977);(50.467142,0.00016039);(50.553752,0.00008141);(50.578627,0.00008046);(50.659647,0.00009522);(50.767116,0.00007015);(50.803873,0.0001414);(51.024401,0.00008275);(51.066743,0.00006402);(51.216733,0.00012814);(51.219454,0.00010839);(51.410515,0.00006943);(51.573409,0.00006317);(52.214302,0.00005739);(52.266448,0.00006358);(52.604269,0.00012195);(52.624259,0.00013721);(52.722019,0.00005476);(52.912084,0.00006872);(53.099739,0.00011685);(53.282632,0.00005881);(53.372914,0.00013021);(53.704924,0.0000617);(53.854589,0.00007063);(54.201658,0.00011892);(54.499256,0.00006233);(54.509339,0.00012548);(54.986445,0.00035092);(55.314633,0.00013929);(55.668004,0.00007061);(55.802772,0.00009444);(55.840937,0.00005664);(55.935145,0.00540248);(56.055831,0.00006068);(56.446096,0.00009454);(56.517639,0.00013809);(56.656886,0.00010471);(56.702773,0.00013693);(56.891834,0.00010052);(56.942937,0.00019181);(56.965542,0.02132619);(57.069129,0.00006412);(57.070651,0.00026793);(57.267602,0.00010435);(57.406761,0.00006878);(57.527752,0.00009429);(57.581092,0.00005883);(58.065848,0.01050088);(58.255668,0.0000546);(58.612743,0.0000642);(58.641213,0.00008562);(58.887086,0.00005471);(58.995806,0.00006057);(59.350308,0.00007721);(59.382819,0.00006407);(59.91087,0.00012264);(60.138584,0.0000726);(60.19708,0.00010361);(60.699817,0.00013349);(60.711422,0.00007065);(60.769486,0.00013067);(61.009589,0.00008991);(61.011371,0.03178588);(61.013023,0.0001449);(61.432688,0.0000704);(61.628837,0.00006607);(62.019204,0.0176126);(62.060832,0.0002649);(62.689754,0.00008737);(62.756932,0.00013358);(62.845644,0.00006411);(62.953833,0.00015358);(63.007165,0.00028899);(63.027006,0.00135349);(63.540946,0.00007104);(64.014984,0.00016258);(64.180816,0.00012273);(64.469568,0.00007303);(64.498002,0.00010544);(64.917161,0.00012387);(65.032492,0.0001456);(65.08013,0.00007115);(65.573061,0.00005541);(65.893191,0.00010358);(65.995221,0.00011347);(66.198884,0.00013225);(66.414621,0.00016017);(66.516622,0.00006549);(66.582039,0.00014451);(66.722732,0.00006377);(66.751419,0.00008833);(66.759258,0.00006653);(66.776288,0.00009101);(66.932427,0.00007546);(68.116308,0.00015355);(68.143247,0.00010077);(68.54335,0.00013017);(68.778933,0.00013771);(69.690253,0.00008274);(69.832381,0.00007828);(69.934608,0.00023672);(69.950747,0.00009602);(69.988995,0.00012279);(70.219294,0.00008573);(70.445822,0.00008718);(70.786116,0.00014916);(70.942454,0.00017374);(70.958592,0.00016448);(70.980907,0.00006998);(71.259102,0.00006251);(71.692599,0.00009375);(71.927938,0.0000614);(71.929953,0.01328048);(71.952591,0.00204422);(72.014789,0.00009269);(72.116545,0.0004614);(72.390329,0.00010208);(72.937778,0.00940922);(73.005531,0.00008469);(73.466452,0.00014561);(73.854627,0.00005407);(73.945624,0.00019009);(74.196451,0.00011311);(74.612252,0.00006191);(74.803886,0.00008095);(76.603879,0.00006893);(76.661447,0.00013425);(76.73752,0.00007607);(76.855982,0.0000557);(77.568962,0.00012495);(78.013896,0.00017376);(78.302641,0.00006401);(78.525555,0.00010813);(78.908375,0.00007093);(79.021833,0.00380505);(79.058895,0.00008753);(79.564338,0.00012973);(79.665361,0.00008155);(79.969429,0.00012322);(80.14327,0.00011306);(80.151301,0.00012203);(80.434147,0.00012583);(80.451699,0.00010769);(80.622716,0.00009024);(81.070548,0.00014849);(81.896008,0.00015156);(81.995991,0.00009594);(82.548197,0.00010452);(82.98656,0.0001415);(82.994103,0.00008173);(83.264398,0.00007028);(83.956997,0.00015669);(84.676815,0.00009038);(85.20108,0.00007438);(85.958802,0.0001097);(86.029842,0.00009427);(86.520925,0.00007739);(86.527728,0.0001329);(86.895095,0.00007462);(87.11106,0.00012595);(87.124499,0.00014957);(87.875992,0.0001239);(87.906971,0.00304055);(88.212818,0.0000865);(88.533648,0.00005765);(88.914847,0.00021914);(88.952883,0.00020735);(89.060196,0.00151153);(89.940384,0.00706754);(90.33072,0.00012425);(90.566321,0.00008549);(90.71743,0.00013196);(90.948182,0.00941872);(91.156851,0.000097);(91.343055,0.00006185);(91.511278,0.00007754);(92.005387,0.00014206);(92.358741,0.00008909);(92.881467,0.00008315);(94.207951,0.0000547);(95.085725,0.00016461);(95.663972,0.00005885);(96.03792,0.00005575);(96.055091,0.00013451);(96.168886,0.00008678);(96.193925,0.00008063);(97.030044,0.00006878);(97.626144,0.00013793);(97.738912,0.00012532);(98.970111,0.00030196);(98.975781,1.0);(99.363647,0.0000653);(99.979101,0.08953213);(100.704476,0.00009984);(100.971785,0.0258199);(100.979923,0.01580224);(101.003587,0.00311686);(101.771671,0.00008295);(101.800778,0.00016508);(101.950227,0.09463774);(101.971891,0.00340851);(102.76,0.00013562);(102.930379,0.00014046);(102.948056,0.00143744);(102.968602,0.03463148);(103.601601,0.00013305);(103.629901,0.00007287);(103.839478,0.00007117);(103.859221,0.00014047);(103.92211,0.00009595);(103.978541,0.00010494);(104.107372,0.00006135);(104.499305,0.00011675);(105.369335,0.00015027);(105.443392,0.00005568);(105.917385,0.00947546);(105.935017,0.00014467);(105.941598,0.00013015);(105.959403,0.0000783);(106.462915,0.00010197);(106.862303,0.00007253);(106.885666,0.00012288);(107.950804,0.00061714);(108.140923,0.00008686);(108.958459,0.00030344);(110.123501,0.00006241);(110.265676,0.00007055);(110.740425,0.00016492);(111.80546,0.0001393);(113.283555,0.00007048);(113.630004,0.00010918);(113.966913,0.0000569);(114.47246,0.00010848);(114.751585,0.00008131);(116.058353,0.00009562);(116.272698,0.0001347);(116.909428,0.00040202);(116.929608,0.00021327);(116.986148,0.41872429);(117.014619,0.00005887);(117.189617,0.00006844);(117.917226,0.0046847);(117.947778,0.00006039);(117.989462,0.03894053);(118.02435,0.00008236);(118.160333,0.00005367);(118.733844,0.00005531);(118.797853,0.000127);(118.925055,0.00612592);(118.942752,0.00066616);(118.977579,0.00005531);(118.982184,0.01086332);(118.990427,0.00634475);(118.996426,0.00017553);(119.001341,0.04654924);(119.0722,0.0000786);(119.919141,0.00050499);(119.96061,0.02341884);(119.98241,0.00048992);(120.940652,0.00202281);(120.949035,0.00005493);(120.978992,0.01472332);(121.081401,0.00013257);(121.490856,0.00011905);(122.231382,0.00011719);(122.324124,0.00005939);(122.422403,0.00006806);(122.788068,0.00005356);(123.92783,0.00009703);(124.545415,0.00012995);(124.777999,0.00009752);(124.89996,0.00009163);(125.884611,0.00016406);(129.355249,0.00010344);(130.301861,0.0001034);(131.001586,0.01024895);(131.099408,0.00006274);(132.79837,0.00011572);(132.958333,0.00215789);(133.086037,0.00012502);(133.932249,0.00016805);(133.948309,0.00161594);(134.630954,0.00005407);(134.919767,0.00969786);(134.956124,0.03134533);(134.97877,0.00106964);(134.99647,0.08462184);(135.927565,0.00590854);(135.999853,0.006879);(136.35054,0.0000683);(136.624472,0.00015063);(136.935385,0.00101168);(136.958663,0.00014624);(136.992455,0.00031562);(137.011752,0.24988087);(137.206166,0.00005391);(137.677314,0.00007825);(137.970978,0.00418955);(138.88431,0.00007982);(138.951149,0.00016189);(138.990254,0.00310151);(139.99526,0.0000547);(140.597677,0.00007618);(140.959157,0.00068729);(142.588072,0.00008186);(142.750873,0.00008731);(142.812174,0.00014732);(143.149672,0.00007091);(143.439501,0.00007387);(145.109093,0.0001371);(145.318804,0.00008607);(146.116077,0.0001462);(146.297197,0.00010498);(147.665626,0.00005917);(147.92775,0.0000711);(148.772764,0.0000613);(148.918493,0.0000534);(148.955749,0.00047242);(148.971767,0.00510928);(149.012226,0.00155828);(149.683898,0.00012899);(149.934007,0.00009685);(149.943175,0.00162148);(149.953466,0.00023207);(149.962752,0.00007824);(150.230875,0.00007671);(150.767131,0.00007867);(150.814419,0.00005753);(150.951052,0.02972878);(150.968677,0.00209197);(151.027318,0.0034486);(151.717102,0.00009383);(151.951615,0.00014088);(151.958941,0.00224441);(151.99882,0.0073413);(152.1536,0.0001362);(152.44446,0.00040857);(152.930353,0.00078764);(152.951596,0.00035544);(152.960323,0.00010371);(152.966649,0.01068946);(152.988575,0.00008511);(153.007063,0.00249975);(153.938107,0.00103661);(155.022209,0.07431828);(155.486363,0.00007886);(157.001294,0.00020592);(159.01056,0.00012944);(159.492889,0.00011077);(159.772579,0.00013942);(159.95644,0.00110772);(160.935477,0.00113035);(160.956181,0.00024114);(161.891557,0.00012856);(161.965819,0.00072817);(162.186981,0.00007289);(162.395724,0.00015331);(162.951,0.00233639);(163.051397,0.00013619);(163.102911,0.00009841);(163.739533,0.0001843);(163.942509,0.00005426);(163.959174,0.00030116);(163.976129,0.00005533);(164.940423,0.00028951);(164.966589,0.00009312);(165.920206,0.00051257);(165.938157,0.00191843);(165.960296,0.00352377);(166.076385,0.00006029);(166.982418,0.00022804);(167.465115,0.0000768);(167.655939,0.00009022);(167.935952,0.00088468);(167.953735,0.00521073);(168.944003,0.00009152);(168.961606,0.00382808);(169.037731,0.00033983);(169.054532,0.00006092);(169.681297,0.00010551);(170.009414,0.00090258);(170.079738,0.00014701);(171.569424,0.00009741);(172.205093,0.00014451);(173.233634,0.00007733);(173.564262,0.00005811);(174.604304,0.00006915);(175.78942,0.00015213);(175.958962,0.00151158);(176.975765,0.0000652);(176.98925,0.09784947);(177.079239,0.00008087);(177.938449,0.00006585);(177.993036,0.02114228);(178.844614,0.00014517);(178.9081,0.00060488);(178.946171,0.00414299);(178.966081,0.00045221);(178.985051,0.02885467);(178.993323,0.00320429);(179.022191,0.00693261);(179.042616,0.00005482);(179.177734,0.00006177);(179.474208,0.00007901);(179.936538,0.00022089);(179.954895,0.00035486);(179.963675,0.0167924);(179.98595,0.00031741);(180.943702,0.01105438);(180.961455,0.00312216);(180.983615,0.03911196);(181.499238,0.00012945);(181.662998,0.00005809);(181.915341,0.0019343);(182.740151,0.00011637);(182.950758,0.00074186);(183.931017,0.00038289);(183.949013,0.00013621);(183.970846,0.03432543);(185.400813,0.00007812);(185.640903,0.00007509);(185.964332,0.00364879);(187.536214,0.00012971);(190.657637,0.00013356);(191.329513,0.0000817);(191.888359,0.00007834);(192.961614,0.01298399);(194.957682,0.0001343);(194.999817,0.08246352);(196.003376,0.02002802);(196.546558,0.00009166);(196.918703,0.00012427);(196.957288,0.00077203);(196.995572,0.02610316);(197.004469,0.00234896);(197.0146,0.00042699);(197.946524,0.00234075);(197.964576,0.00018674);(197.974338,0.03798882);(197.984648,0.00015121);(197.997841,0.0004081);(198.442036,0.00008867);(198.954421,0.00721474);(198.99426,0.23387847);(199.251057,0.00005417);(199.925666,0.00086335);(201.736552,0.0000671);(201.886217,0.00017026);(201.981304,0.00279164);(202.115771,0.00005387);(202.138028,0.00006979);(202.529863,0.00006115);(202.918669,0.0000564);(203.779452,0.00005559);(207.261048,0.00012542);(208.740248,0.00007644);(209.015859,0.00017609);(209.78399,0.00006978);(210.018576,0.00016973);(210.972296,0.00406443);(211.990071,0.00008392);(212.969467,0.00006516);(213.010186,0.00945322);(214.013751,0.00048089);(215.006071,0.00027287);(215.984859,0.00602466);(216.162305,0.00170098);(216.182026,0.00375438);(217.004827,0.02091216);(217.265538,0.00006364);(219.373072,0.00009188);(219.752378,0.00009695);(220.594163,0.00006649);(222.749343,0.00012297);(225.805417,0.00006798);(226.575308,0.00012635);(228.298116,0.00010166);(228.869833,0.00012281);(231.791867,0.00013656);(232.368801,0.00006789);(233.155013,0.00005856);(234.520164,0.00007956);(234.604644,0.00014232);(234.811827,0.00008087);(236.688812,0.00005865);(242.196707,0.00012713);(245.927924,0.00009564);(249.218165,0.00009695);(250.398913,0.00005661);(255.066552,0.00008496);(255.122138,0.0001341);(256.299947,0.0001335);(258.279288,0.00089306);(258.999027,0.00010479);(259.151973,0.0001327);(259.758998,0.00005803);(260.367633,0.0001308);(261.435004,0.00013694)
LC-MS/MSLC-ESI-QFTPositivehighView Spectrum(50.040305,0.00005189);(50.050731,0.00011296);(50.276272,0.00006098);(50.29347,0.00008871);(50.333083,0.00007841);(50.520033,0.00005575);(50.5937,0.00007909);(50.620657,0.00004935);(50.812214,0.00008591);(50.912327,0.00006247);(51.016544,0.000087);(51.116551,0.00006144);(51.51819,0.00009931);(51.940732,0.00011363);(52.133794,0.00006217);(53.061924,0.00011843);(53.348024,0.00007657);(53.720109,0.00006179);(53.822132,0.00005457);(53.939811,0.00019906);(53.973153,0.00009929);(54.765465,0.00006089);(54.805676,0.00006014);(54.986465,0.00079444);(55.012846,0.00011378);(55.054937,0.00016202);(55.098369,0.00006701);(55.101704,0.0001183);(55.341276,0.00004665);(55.660675,0.0000626);(55.706109,0.00006876);(55.93514,0.01266344);(56.488015,0.00004404);(56.532231,0.00011849);(56.55452,0.00006897);(56.634825,0.00011349);(56.910495,0.00006297);(56.942947,0.00244444);(56.965534,0.13478883);(57.070641,0.00041504);(57.260361,0.00010482);(57.360267,0.00009784);(57.37662,0.000109);(57.457181,0.00007009);(57.761723,0.00012422);(57.973721,0.00010816);(58.065847,0.00822398);(58.118045,0.00007503);(58.28976,0.00011881);(58.397856,0.00013928);(58.530957,0.00004648);(58.597651,0.00007958);(58.69186,0.00006137);(58.712782,0.00011448);(58.961587,0.00052493);(59.082191,0.00012095);(59.342078,0.00005069);(59.377902,0.00004401);(59.471309,0.00007054);(59.635217,0.00005889);(59.669107,0.00010502);(60.001085,0.00008905);(60.223027,0.00012527);(60.553616,0.00010593);(60.683883,0.00008376);(60.704917,0.00006147);(60.789953,0.00006471);(60.958401,0.00299515);(61.011358,0.03918995);(61.056175,0.00008088);(61.171497,0.00006117);(61.430624,0.00006325);(61.831463,0.00005754);(61.926339,0.00004358);(62.015343,0.00005031);(62.015705,0.00004434);(62.019198,0.01525245);(62.044696,0.00004885);(62.274184,0.00011023);(62.407831,0.000055);(62.623648,0.00005793);(62.699592,0.00005995);(62.788357,0.00018494);(62.940388,0.00011833);(63.007135,0.00029784);(63.022613,0.00008822);(63.027004,0.0015334);(63.084319,0.00015196);(63.153304,0.00008205);(63.286558,0.00006842);(63.574667,0.00006854);(63.670971,0.00006325);(63.855977,0.0000553);(64.014928,0.00015027);(64.230178,0.00008312);(65.033934,0.00005512);(65.992888,0.00005634);(66.325463,0.0001238);(66.583127,0.00004887);(66.877816,0.00011834);(66.880163,0.00005391);(67.026961,0.00005512);(67.031628,0.00008187);(67.77224,0.00004701);(67.788215,0.00004376);(67.878499,0.0001065);(67.93542,0.00005491);(68.633599,0.00008161);(69.237112,0.00009604);(69.472833,0.00006373);(69.593597,0.00004566);(69.77973,0.00005805);(69.934636,0.00043196);(69.950653,0.00038671);(70.087538,0.0000939);(70.415612,0.00013095);(70.417229,0.00007157);(70.530603,0.00008697);(70.598446,0.0000794);(70.928216,0.0001257);(70.942477,0.0010452);(70.958526,0.00424953);(70.981108,0.00156413);(71.390318,0.00008162);(71.456164,0.00008619);(71.552935,0.00004821);(71.648356,0.00187095);(71.65347,0.00013368);(71.929952,0.0151403);(71.952539,0.0259422);(72.754996,0.00007413);(72.760746,0.00004579);(72.937772,0.02223004);(73.677047,0.00004341);(73.841098,0.00005129);(73.945633,0.0005011);(74.020869,0.00005865);(74.220586,0.00004599);(74.529873,0.00011934);(74.779894,0.00004497);(74.953433,0.00022639);(75.014678,0.00006349);(75.449584,0.00005724);(76.186677,0.00008043);(76.559898,0.0001038);(76.590389,0.00012978);(76.664578,0.00008552);(77.814144,0.00013261);(77.968464,0.00004449);(78.399856,0.00007);(78.609905,0.00006877);(78.731572,0.00007643);(78.825687,0.00006886);(79.021828,0.01338759);(79.054903,0.00004739);(80.323476,0.00011717);(80.57093,0.00010893);(81.070579,0.00004512);(81.254975,0.00011695);(81.507911,0.00007421);(81.951043,0.00008139);(82.232227,0.0001133);(83.633109,0.00011494);(83.639678,0.00005943);(83.697675,0.00006822);(83.770118,0.00005358);(83.835973,0.000105);(83.854908,0.00011333);(83.930432,0.00013022);(84.225829,0.00011162);(84.396054,0.00011494);(84.546085,0.00006999);(84.578324,0.00011757);(84.60001,0.00004546);(84.640912,0.00004502);(84.702732,0.00008919);(84.8445,0.00006463);(85.007201,0.00007107);(85.689464,0.00011242);(85.691226,0.00006085);(85.828587,0.0000934);(85.911771,0.00022419);(86.651944,0.00009952);(87.797514,0.0000498);(87.906994,0.00644403);(88.384721,0.00005114);(88.914751,0.00094429);(88.932813,0.00009683);(88.952927,0.00086103);(88.968865,0.00021257);(89.059965,0.00004791);(89.492566,0.00012601);(89.940383,0.00583727);(89.951869,0.00007087);(90.659852,0.00006974);(90.897087,0.0000471);(90.948181,0.01589133);(91.052111,0.0000948);(91.096143,0.00008089);(91.106885,0.0001182);(91.1457,0.00004308);(91.340195,0.00004442);(91.425218,0.00011846);(92.974299,0.00004417);(93.370878,0.00006841);(93.501644,0.00011748);(93.812551,0.00004728);(94.536282,0.0000468);(95.052731,0.00004747);(95.307931,0.00007831);(95.990493,0.00008567);(96.245453,0.00005314);(96.925918,0.00008049);(97.163394,0.0001216);(97.204651,0.00006833);(97.790986,0.00014752);(97.798572,0.00009884);(97.873378,0.00004609);(98.707353,0.00011816);(98.975781,1.0);(99.979134,0.09051319);(100.97179,0.02665339);(100.975442,0.00016959);(100.97992,0.0154439);(101.003593,0.00006254);(101.400878,0.0000487);(101.825104,0.00013831);(101.950244,0.1224275);(101.955871,0.0000451);(101.971933,0.00279905);(102.277187,0.00010884);(102.915012,0.00043709);(102.930329,0.00089451);(102.94813,0.00079751);(102.968607,0.03273008);(102.983395,0.00005572);(103.393662,0.00005689);(103.683239,0.00005714);(103.922099,0.00018712);(103.978205,0.00009028);(104.264629,0.00007849);(104.909653,0.00004504);(104.963814,0.00034135);(105.051959,0.00007784);(105.917343,0.00593719);(105.934983,0.00028075);(106.925327,0.00030743);(107.304031,0.00005014);(107.349416,0.00008947);(107.424745,0.00004538);(107.476341,0.00004748);(107.48512,0.00006219);(107.830162,0.00008166);(107.840812,0.00004311);(107.857125,0.0001203);(107.950724,0.00092216);(108.152506,0.00004647);(108.95849,0.0005909);(110.11237,0.0001142);(110.917436,0.00010744);(111.208155,0.00012008);(111.851019,0.00012307);(112.8926,0.00014114);(114.168374,0.0000706);(114.521833,0.00010378);(114.623841,0.00006664);(114.65722,0.00007512);(114.959169,0.00006944);(115.494068,0.0001248);(116.236011,0.00007151);(116.398072,0.00005934);(116.909378,0.00089612);(116.929723,0.001822);(116.986125,0.46756445);(117.588861,0.00005052);(117.621365,0.00012006);(117.917133,0.00141637);(117.989486,0.04355373);(118.925024,0.02040516);(118.942671,0.00027529);(118.982195,0.01331719);(118.990389,0.00855906);(119.001335,0.03056811);(119.019537,0.00037148);(119.285302,0.00012707);(119.918973,0.00022075);(119.960638,0.03648272);(119.982184,0.00046993);(120.296737,0.00004575);(120.94062,0.00843128);(120.979009,0.01754086);(121.699941,0.00005035);(121.988482,0.00033088);(122.919634,0.0000734);(122.927209,0.00006399);(122.941125,0.00013543);(123.927776,0.00005196);(124.188309,0.00012273);(124.935574,0.0002252);(125.646179,0.00006444);(126.801696,0.00005343);(127.293916,0.0000529);(127.637552,0.00007635);(127.818044,0.00012458);(128.237437,0.00005721);(128.350073,0.00010945);(129.451559,0.00004677);(129.954382,0.00009127);(130.264508,0.00008547);(130.355318,0.00013947);(131.00166,0.01212996);(131.348099,0.00006441);(132.004892,0.00022598);(132.345585,0.00004266);(132.645853,0.00006418);(132.850367,0.00010751);(132.958234,0.00743367);(133.205513,0.00011885);(133.439078,0.00005017);(133.931974,0.00005399);(133.948316,0.00054131);(133.9756,0.00017358);(133.98831,0.00534487);(133.997238,0.00007247);(134.258966,0.00013273);(134.919662,0.00329669);(134.939916,0.00038166);(134.956109,0.02064813);(134.978917,0.00056244);(134.996438,0.10429469);(135.381979,0.00004607);(135.553681,0.00004672);(135.648916,0.00004904);(135.927565,0.00209562);(135.999802,0.01031041);(136.93537,0.00731536);(136.953239,0.0000487);(136.992331,0.00125932);(137.011701,0.21314607);(137.748702,0.00005898);(137.970965,0.00924767);(138.950922,0.00212278);(138.990834,0.01702814);(139.565677,0.00006121);(139.822563,0.00009358);(140.899462,0.00014319);(143.439269,0.00006339);(143.616467,0.00007375);(143.62555,0.00014627);(143.879848,0.00005615);(144.470306,0.00004941);(144.888582,0.00011872);(147.238204,0.0000491);(147.342303,0.0001257);(147.591969,0.00012745);(148.335841,0.00004981);(148.95575,0.00034557);(148.971776,0.01069209);(149.012122,0.00280997);(150.118909,0.00008772);(150.908412,0.0000571);(150.951008,0.01612298);(150.968746,0.00608283);(151.027399,0.00285263);(151.446756,0.00014467);(151.958844,0.00075956);(151.998782,0.07954004);(152.444629,0.00059761);(152.930253,0.00009206);(152.951624,0.00005732);(152.966612,0.00860734);(153.006964,0.0058362);(153.218214,0.00007736);(153.318718,0.00014171);(153.938086,0.00060175);(153.970418,0.00006554);(154.002623,0.00010868);(154.643435,0.0000618);(154.829334,0.00004467);(155.022145,0.07147204);(155.28023,0.00012618);(155.495679,0.0000569);(155.954777,0.00008566);(155.981636,0.0001729);(156.248058,0.00004328);(157.001472,0.00213817);(157.471411,0.00004303);(158.939712,0.00006467);(158.954107,0.00004734);(159.389068,0.00007681);(160.399935,0.00004902);(160.935194,0.00016291);(160.951337,0.00005223);(161.438201,0.00008382);(161.966875,0.00009301);(162.5299,0.00012773);(163.884719,0.00017524);(163.999165,0.00032401);(164.274091,0.00006979);(164.94021,0.00016332);(165.938201,0.00006182);(165.960374,0.00261861);(166.014028,0.00005633);(166.71564,0.00006816);(166.982368,0.00068699);(167.954141,0.00006498);(168.511583,0.00011731);(168.961683,0.00158771);(169.037597,0.00026678);(170.009274,0.02317194);(170.808318,0.00009341);(171.434589,0.00004477);(171.819452,0.00011046);(175.612567,0.00004925);(176.794968,0.0000657);(176.98927,0.00726449);(177.412307,0.00010718);(177.9381,0.0001414);(177.963409,0.00008922);(178.527784,0.0001251);(178.946209,0.00020416);(178.985581,0.00012501);(179.022564,0.00049975);(179.077877,0.00006792);(179.924064,0.0000914);(179.963855,0.00027143);(180.94427,0.00010442);(180.961387,0.00006155);(180.983638,0.00090994);(181.89588,0.00004759);(182.340433,0.00010944);(182.950851,0.00050644);(183.960321,0.00006159);(183.970848,0.04247184);(184.024575,0.00004962);(184.940448,0.00004256);(187.026831,0.00004548);(187.05981,0.00007327);(187.103846,0.00011799);(188.257776,0.00006397);(188.646989,0.0000852);(188.673096,0.0001288);(188.888364,0.00010028);(190.833355,0.00013668);(191.074147,0.00005766);(191.186655,0.00007057);(192.283544,0.00007939);(192.961896,0.00079333);(194.999896,0.00327827);(195.94903,0.00019535);(197.015115,0.00025323);(197.974419,0.00105051);(197.986546,0.00020535);(198.251676,0.00005163);(198.359611,0.0000616);(198.994378,0.01518105);(201.220506,0.00011786);(201.502946,0.00017889);(201.981472,0.00583135);(203.808918,0.00005287);(206.567462,0.00010801);(207.168769,0.00006525);(210.972115,0.00011699);(212.135733,0.00004808);(213.902119,0.00006852);(215.985168,0.00005019);(217.004161,0.00012775);(217.871966,0.00005319);(219.736851,0.00009598);(219.754721,0.00023045);(219.769279,0.00051258);(219.789089,0.00071293);(219.794125,0.00088691);(220.719213,0.00009057);(220.905786,0.00006459);(223.538032,0.00013749);(224.14946,0.0000651);(224.521068,0.00006526);(224.625425,0.00011745);(226.620334,0.0001163);(227.309967,0.00005243);(230.740119,0.00004501);(231.924689,0.00013291);(234.002071,0.0000845);(234.367409,0.00004625);(235.94324,0.0000558);(236.989861,0.00008652);(238.271639,0.00005939);(245.40945,0.00004435);(245.609807,0.00010125);(246.107438,0.00005246);(246.845284,0.00007194);(247.081394,0.00004379);(247.857633,0.00013272);(249.060768,0.00005328);(251.115039,0.0000434);(252.084683,0.00005627);(257.025468,0.00005528);(257.787309,0.00013941);(258.828881,0.0000437)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(105.768,0.013);(119.044,0.011);(127.004,0.018);(131.05,0.075);(132.925,0.011);(134.955,0.08);(137.047,0.018);(139.11,0.011);(147.082,0.011);(148.001,0.013);(153.015,0.12);(165.085,0.01);(173.128,0.013);(178.944,0.137);(179.063,0.011);(179.96,0.026);(181.026,0.23);(182.521,0.011);(199.046,0.01);(208.176,0.033);(216.981,0.017);(219.54,0.013);(220.034,0.295);(226.086,0.01);(226.177,0.042);(230.539,0.026);(231.007,0.02);(257.082,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(101.949,0.075);(102.947,0.02);(103.053,0.144);(104.058,0.066);(107.049,0.044);(107.087,0.042);(108.086,0.039);(111.006,0.017);(112.975,0.028);(114.022,0.043);(115.046,0.032);(116.966,0.021);(119.082,0.027);(121.042,0.022);(121.101,0.047);(122.053,0.043);(126.963,0.043);(127.004,0.078);(127.026,0.059);(130.047,0.043);(130.845,0.067);(130.996,0.038);(131.05,0.39);(131.505,0.016);(131.749,0.021);(132.055,0.069);(132.416,0.019);(132.996,0.102);(133.993,0.043);(134.954,0.471);(136.253,0.015);(136.955,0.047);(137.889,0.034);(140.49,0.034);(142.011,0.027);(146.506,0.032);(146.993,0.155);(147.488,0.079);(147.997,0.035);(151.037,0.029);(153.017,1.0);(153.193,0.019);(154.763,0.016);(160.596,0.019);(161.928,0.017);(163.151,0.016);(163.879,0.019);(170.014,0.028);(172.644,0.026);(174.053,0.034);(174.851,0.019);(178.945,0.1);(179.962,0.06);(180.86,0.02);(181.024,0.458);(181.36,0.044);(183.008,0.017);(185.025,0.028);(191.031,0.023);(191.516,0.078);(193.04,0.042);(197.092,0.019);(205.007,0.024);(207.135,0.018);(211.184,0.034);(215.963,0.039);(216.079,0.017);(216.979,0.126);(221.141,0.036);(228.084,0.023);(234.47,0.017);(244.057,0.042);(257.082,0.567)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(201.834,0.04);(210.95,0.04);(219.847,0.863);(255.068,1.0)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(102.947,0.012);(107.012,0.065);(108.019,0.014);(115.049,0.012);(119.035,0.011);(125.023,0.021);(136.013,0.027);(145.066,0.074);(146.069,0.017);(151.006,0.106);(164.006,0.024);(166.864,0.011);(166.956,0.013);(169.067,0.021);(171.043,0.081);(172.054,0.019);(182.95,0.027);(183.085,0.024);(184.004,0.01);(184.876,0.053);(185.06,0.027);(187.072,0.041);(198.033,0.012);(199.838,0.015);(201.835,1.0);(210.95,0.032);(211.077,0.063);(213.057,0.192);(217.912,0.014);(219.847,0.829);(239.162,0.011);(253.507,0.015);(255.066,0.571)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(101.041,0.015);(107.014,0.053);(107.896,0.015);(108.021,0.014);(117.036,0.021);(118.939,0.01);(120.955,0.019);(121.999,0.017);(123.0,0.017);(125.026,0.011);(128.059,0.019);(136.016,0.023);(136.947,0.026);(138.965,0.02);(139.057,0.011);(143.046,0.011);(145.066,0.03);(147.891,0.039);(148.952,0.021);(164.871,0.028);(166.867,1.0);(168.863,0.247);(169.066,0.023);(170.071,0.016);(171.045,0.053);(182.061,0.013);(183.866,0.014);(184.862,0.034);(185.068,0.015);(185.867,0.032);(197.024,0.061);(197.919,0.012);(201.837,0.419)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(100.952,0.056);(101.39,0.028);(101.944,0.049);(102.6,0.021);(102.952,0.344);(103.054,0.779);(103.22,0.042);(103.485,0.072);(103.979,0.046);(104.05,0.191);(105.07,0.029);(106.993,0.041);(107.082,0.044);(108.992,0.076);(110.003,0.03);(110.994,0.024);(115.045,0.04);(116.063,0.076);(117.07,0.042);(117.913,0.03);(118.927,0.023);(118.989,0.089);(120.952,0.05);(122.954,0.055);(123.052,0.072);(123.945,0.023);(126.95,0.063);(127.001,0.161);(127.055,0.078);(127.299,0.02);(131.045,0.156);(131.986,0.022);(132.244,0.041);(132.936,0.055);(134.953,0.079);(135.008,0.041);(138.962,0.051);(141.009,0.05);(147.983,0.026);(149.025,0.041);(150.028,0.027);(151.054,0.112);(152.965,0.028);(153.02,1.0);(153.466,0.02);(155.344,0.022);(160.993,0.095);(168.961,0.045);(171.978,0.05);(172.984,0.033);(177.626,0.025);(180.054,0.047);(180.3,0.024);(183.009,0.026);(187.969,0.068);(188.07,0.036);(188.994,0.084);(192.501,0.019);(198.545,0.022);(198.965,0.052);(199.972,0.021);(209.018,0.054);(215.974,0.094);(216.318,0.046);(222.012,0.021);(229.045,0.052);(229.967,0.028);(230.716,0.022);(252.405,0.022)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(41.03912516,0.1741125458);(51.0234751,0.1210181644);(53.03912516,0.0756190329);(65.03912516,0.031881468);(79.05477522,1.470684677);(103.0547752,2.958873245);(105.0340398,0.2488085926);(105.0704253,3.635419976);(111.0446045,0.2810113256);(121.0653399,2.127678423);(127.0395191,0.051765636);(129.0340398,0.0767730639);(131.0496898,0.2276059011);(135.008219,0.0709844698);(135.0446045,0.1634675124);(137.023869,0.2681284735);(147.0446045,0.1786682462);(153.0187836,9.632269415);(153.0551691,0.269781215);(155.0344337,0.4259576728);(173.0602545,0.0681340273);(179.0344337,0.3434562295);(203.0344337,0.0595155621);(213.0551691,0.0452501539);(215.0708192,0.3940448096);(221.0602545,0.2289290573);(229.0500838,0.0875267361);(231.0657338,0.1002414253);(239.0708192,13.38860174);(241.0500838,0.6335423443);(257.0813839,62.16024886)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(41.03912516,0.1510940158);(51.0234751,0.4091230497);(53.03912516,0.2205767939);(65.03912516,0.2499478311);(79.05477522,2.590357818);(85.0289544,0.3140852387);(95.01330434,0.2190899941);(103.0547752,2.747753048);(105.0340398,2.14654876);(105.0704253,5.103147241);(111.0446045,0.2530238964);(121.0653399,0.7744116073);(129.0340398,0.7583823254);(131.0496898,2.792793336);(135.008219,0.3090795771);(135.0446045,0.4125025356);(137.023869,12.64169686);(147.0446045,0.8859548477);(153.0187836,18.59682183);(153.0551691,0.3216309427);(155.0344337,0.3729095518);(173.0602545,0.2614248333);(179.0344337,2.44119277);(213.0551691,0.5035657694);(215.0708192,1.285840892);(221.0602545,1.017613001);(229.0500838,0.5067464429);(231.0657338,0.4343565657);(239.0708192,13.54162116);(241.0500838,1.095654448);(257.0813839,26.64105302)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(51.0234751,3.468671513);(53.03912516,1.431224414);(65.03912516,0.7241509444);(67.01838972,0.812030331);(68.99765427,1.627036862);(69.03403978,3.026742447);(77.03912516,1.839611635);(79.05477522,6.918496462);(85.0289544,4.333073763);(89.03912516,1.18512971);(93.03403978,1.69977516);(95.01330434,0.7355751332);(103.0547752,10.51019611);(105.0340398,5.089849831);(105.0704253,6.718815907);(109.0289544,1.412403423);(111.0446045,2.630537895);(121.0653399,2.432802531);(127.0395191,0.7259161609);(129.0340398,2.591570642);(131.0496898,2.271714781);(135.008219,6.950833816);(135.0446045,6.104744205);(137.023869,6.680946923);(147.0446045,1.525700773);(153.0187836,9.462386601);(155.0344337,1.360903577);(215.0708192,1.03867408);(221.0602545,1.217012676);(239.0708192,2.401469796);(241.0500838,1.0720019)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(41.00273965,0.1079214451);(43.01838972,0.0252123738);(51.0234751,0.0262291001);(68.99765427,0.0209240762);(77.03912516,3.125769671);(83.01330434,0.0232244723);(101.0391252,0.0556968963);(103.0183897,0.1239116555);(103.0547752,0.9064524556);(109.0289544,0.1302898164);(119.0496898,0.6853221546);(125.023869,1.2386465);(127.0183897,0.0232998042);(127.0395191,0.3263044679);(129.0340398,0.0629642789);(135.008219,0.0683107577);(145.0289544,0.0583931511);(151.0031336,1.93494081);(151.0395191,0.0218401899);(153.0187836,0.0955495333);(171.0446045,0.0287121475);(177.0187836,0.5794310852);(185.0602545,0.2348082387);(203.0344337,0.0446204108);(211.0395191,0.0647550193);(213.0551691,0.3263392252);(227.0344337,0.0345619793);(229.0500838,0.1851968739);(237.0551691,4.801738878);(239.0344337,0.2623140045);(255.0657338,84.37631853)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(17.00273965,2.033932185);(39.0234751,0.1194640202);(41.00273965,0.5310381635);(43.01838972,0.0947569427);(51.0234751,0.1209202997);(68.99765427,0.1068298461);(77.03912516,5.133200618);(83.01330434,0.225416715);(101.0391252,0.0920770229);(103.0547752,1.79627923);(107.0133043,0.1312435517);(109.0289544,0.7053640293);(119.0496898,0.3655582436);(125.023869,4.685442757);(127.0395191,0.4351862218);(129.0340398,1.312791303);(135.008219,2.228609543);(145.0289544,0.1454039381);(151.0031336,10.01259627);(151.0395191,0.1482873764);(153.0187836,0.5944585714);(171.0446045,0.4571390642);(177.0187836,2.048107819);(185.0602545,0.9804285026);(211.0395191,0.5164752102);(213.0551691,3.271148651);(227.0344337,0.2458665958);(229.0500838,0.3661680364);(237.0551691,5.43574994);(239.0344337,1.200123166);(255.0657338,54.45993616)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,2.230934055);(65.00273965,4.461956243);(67.01838972,3.083210538);(77.03912516,16.01006978);(83.01330434,3.11301476);(91.01838972,2.050058871);(92.99765427,1.65353511);(101.0391252,5.698218694);(103.0183897,0.8618694273);(103.0547752,9.166443681);(107.0133043,1.665520417);(108.9925689,1.494754311);(109.0289544,8.825342609);(119.0496898,1.974020052);(125.023869,1.15246026);(129.0340398,2.533435803);(133.0289544,1.200348122);(135.008219,5.437934661);(143.0496898,2.059619616);(151.0031336,6.175119832);(151.0395191,0.9573783054);(153.0187836,0.7458467761);(167.0496898,0.7714091759);(169.0653399,0.8140922201);(171.0446045,3.975670711);(185.0602545,1.724349475);(187.0759046,0.7581799911);(213.0551691,3.839867169);(237.0551691,2.77634585);(239.0344337,2.00781617);(255.0657338,0.7811773142)

Food Sources

No food source information available

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

Back