Theanine
precursor
Showing entry for Theanine
Identification
- PhytoHub ID
- PHUB002334
- Name
- Theanine
- Systematic Name
- (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid
- Synonyms
- (+)-Theanine
- L-Theanine
- N-Ethyl-L-glutamine
- N-gamma-Ethyl-L-glutamine
- Suntheanine
- CAS Number
- 3081-61-6
- Average Mass
- 174.2
- Monoisotopic Mass
- 174.100442319
- Chemical Formula
- C7H14N2O3
- IUPAC Name
- (2S)-2-amino-4-(ethyl-C-hydroxycarbonimidoyl)butanoic acid
- InChI Key
- DATAGRPVKZEWHA-YFKPBYRVSA-N
- InChI Identifier
InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
- SMILES
[H][C@](N)(CCC(O)=NCC)C(O)=O
- Structure
Structure for Theanine
Calculated Properties
- Solubility (ALOGPS)
- 4.25e+00 g/l
- LogS (ALOGPS)
- -1.61
- LogP (ALOGPS)
- -2.52
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 5
- Polar Surface Area
- 95.91000000000001
- Refractivity
- 43.2769
- Polarizability
- 18.115907694654155
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 9.53669340703791
- pKa (strongest acidic)
- 2.1544537640213153
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 439378
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amino acids
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- N-containing compound metabolites
- Metabolite Class
- Amino acid metabolites
- Metabolite Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Carboxylic acids and derivatives
- Super-class
- Organic acids and derivatives
- Sub-class
- Amino acids, peptides, and analogues
- Direct Parent Name
- Glutamine and derivatives
- Alternative Parent Names
- ["Amino acids", "Carbonyl compounds", "Carboxylic acids", "Fatty acids and conjugates", "Hydrocarbon derivatives", "L-alpha-amino acids", "Monoalkylamines", "Monocarboxylic acids and derivatives", "N-acyl amines", "Organic oxides", "Organopnictogen compounds", "Secondary carboxylic acid amides"]
- External Descriptor Annotations
- ["N(5)-alkyl-L-glutamine"]
- Substituent Names
- ["Aliphatic acyclic compound", "Alpha-amino acid", "Amine", "Amino acid", "Carbonyl group", "Carboxamide group", "Carboxylic acid", "Fatty acid", "Fatty acyl", "Fatty amide", "Glutamine or derivatives", "Hydrocarbon derivative", "L-alpha-amino acid", "Monocarboxylic acid or derivatives", "N-acyl-amine", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Secondary carboxylic acid amide"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.094);(71.0,0.028);(72.0,0.158);(76.0,0.07);(77.0,0.061);(79.0,0.011);(80.0,0.018);(81.0,0.04);(82.0,0.377);(83.0,0.12);(84.0,0.144);(85.0,0.041);(86.0,0.084);(87.0,0.046);(88.0,0.015);(89.0,0.011);(90.0,0.003);(91.0,0.002);(92.0,0.005);(93.0,0.006);(94.0,0.038);(95.0,0.017);(96.0,0.016);(97.0,0.011);(98.0,0.039);(99.0,0.032);(100.0,0.39);(101.0,0.106);(102.0,0.13);(103.0,0.056);(104.0,0.01);(105.0,0.008);(107.0,0.001);(108.0,0.003);(109.0,0.037);(110.0,0.024);(111.0,0.339);(112.0,0.103);(113.0,0.029);(114.0,0.083);(115.0,0.088);(116.0,0.155);(117.0,0.057);(118.0,0.021);(119.0,0.014);(120.0,0.003);(121.0,0.002);(122.0,0.003);(123.0,0.002);(124.0,0.005);(125.0,0.004);(126.0,0.021);(127.0,0.008);(128.0,0.561);(129.0,0.142);(130.0,0.076);(131.0,0.089);(132.0,0.062);(133.0,0.14);(134.0,0.022);(135.0,0.012);(136.0,0.002);(138.0,0.007);(139.0,0.025);(140.0,0.051);(141.0,0.013);(142.0,0.045);(143.0,0.044);(144.0,0.182);(145.0,0.036);(146.0,0.037);(150.0,0.006);(151.0,0.004);(152.0,0.005);(153.0,0.008);(154.0,0.037);(155.0,0.033);(156.0,0.431);(157.0,0.075);(158.0,0.168);(159.0,1.0);(160.0,0.149);(161.0,0.054);(162.0,0.006);(163.0,0.004);(164.0,0.001);(165.0,0.002);(166.0,0.003);(167.0,0.064);(168.0,0.02);(169.0,0.007);(170.0,0.037);(171.0,0.008);(172.0,0.144);(173.0,0.038);(174.0,0.02);(175.0,0.004);(177.0,0.002);(178.0,0.0);(181.0,0.002);(182.0,0.008);(183.0,0.73);(184.0,0.395);(185.0,0.107);(186.0,0.027);(187.0,0.005);(188.0,0.06);(189.0,0.015);(190.0,0.008);(191.0,0.003);(192.0,0.001);(196.0,0.002);(197.0,0.002);(198.0,0.002);(199.0,0.006);(200.0,0.008);(201.0,0.05);(202.0,0.019);(203.0,0.013);(204.0,0.006);(205.0,0.001);(207.0,0.0);(210.0,0.005);(211.0,0.011);(212.0,0.005);(213.0,0.01);(214.0,0.012);(215.0,0.005);(216.0,0.075);(217.0,0.017);(218.0,0.052);(219.0,0.013);(220.0,0.005);(221.0,0.011);(222.0,0.003);(223.0,0.001);(225.0,0.001);(226.0,0.001);(227.0,0.003);(228.0,0.012);(229.0,0.008);(230.0,0.02);(231.0,0.008);(232.0,0.01);(233.0,0.003);(235.0,0.001);(236.0,0.001);(237.0,0.001);(238.0,0.001);(239.0,0.001);(240.0,0.002);(241.0,0.004);(242.0,0.003);(243.0,0.013);(244.0,0.005);(246.0,0.002);(248.0,0.007);(249.0,0.003);(253.0,0.0);(256.0,0.001);(257.0,0.045);(258.0,0.015);(259.0,0.005);(260.0,0.003);(262.0,0.001);(263.0,0.0);(271.0,0.003);(272.0,0.005);(273.0,0.679);(274.0,0.185);(275.0,0.073);(276.0,0.019);(277.0,0.004);(283.0,0.004);(285.0,0.042);(286.0,0.013);(287.0,0.005);(288.0,0.001);(291.0,0.002);(293.0,0.001);(300.0,0.002);(301.0,0.023);(302.0,0.006);(303.0,0.002);(304.0,0.001);(346.0,0.011);(347.0,0.012);(348.0,0.004);(375.0,0.021);(376.0,0.007);(377.0,0.003);(390.0,0.009);(391.0,0.004);(582.0,0.0) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.055);(71.0,0.023);(72.0,0.124);(76.0,0.042);(77.0,0.04);(78.0,0.005);(79.0,0.01);(80.0,0.007);(81.0,0.011);(82.0,0.106);(83.0,0.119);(84.0,0.111);(85.0,0.031);(86.0,0.051);(87.0,0.04);(88.0,0.01);(89.0,0.007);(90.0,0.002);(91.0,0.002);(92.0,0.003);(93.0,0.005);(94.0,0.031);(95.0,0.009);(96.0,0.01);(97.0,0.006);(98.0,0.027);(99.0,0.018);(100.0,0.14);(101.0,0.094);(102.0,0.091);(103.0,0.03);(104.0,0.007);(105.0,0.005);(106.0,0.001);(107.0,0.001);(108.0,0.002);(109.0,0.007);(110.0,0.012);(111.0,1.0);(112.0,0.118);(113.0,0.016);(114.0,0.091);(115.0,0.032);(116.0,0.029);(117.0,0.025);(118.0,0.01);(119.0,0.008);(120.0,0.001);(121.0,0.001);(122.0,0.002);(123.0,0.001);(124.0,0.003);(125.0,0.002);(126.0,0.006);(127.0,0.007);(128.0,0.113);(129.0,0.037);(130.0,0.031);(131.0,0.039);(132.0,0.028);(133.0,0.051);(134.0,0.009);(135.0,0.005);(136.0,0.001);(137.0,0.001);(138.0,0.002);(139.0,0.006);(140.0,0.021);(141.0,0.005);(142.0,0.047);(143.0,0.02);(144.0,0.034);(145.0,0.008);(146.0,0.006);(150.0,0.003);(151.0,0.002);(152.0,0.002);(153.0,0.002);(154.0,0.006);(155.0,0.006);(156.0,0.361);(157.0,0.062);(158.0,0.041);(159.0,0.156);(160.0,0.026);(161.0,0.009);(162.0,0.002);(163.0,0.003);(164.0,0.001);(165.0,0.001);(166.0,0.001);(167.0,0.006);(168.0,0.013);(169.0,0.003);(170.0,0.004);(171.0,0.003);(172.0,0.01);(173.0,0.012);(174.0,0.006);(175.0,0.002);(176.0,0.002);(177.0,0.001);(178.0,0.001);(179.0,0.0);(180.0,0.0);(181.0,0.001);(182.0,0.001);(183.0,0.014);(184.0,0.038);(185.0,0.022);(186.0,0.008);(187.0,0.002);(188.0,0.005);(189.0,0.001);(190.0,0.001);(191.0,0.0);(192.0,0.0);(193.0,0.0);(194.0,0.0);(195.0,0.001);(196.0,0.001);(197.0,0.001);(198.0,0.001);(199.0,0.005);(200.0,0.02);(201.0,0.562);(202.0,0.096);(203.0,0.031);(204.0,0.013);(205.0,0.002);(206.0,0.001);(207.0,0.0);(208.0,0.0);(209.0,0.0);(210.0,0.0);(211.0,0.001);(212.0,0.001);(213.0,0.022);(214.0,0.009);(215.0,0.003);(216.0,0.003);(217.0,0.001);(218.0,0.021);(219.0,0.006);(220.0,0.002);(221.0,0.001);(222.0,0.0);(223.0,0.0);(225.0,0.0);(226.0,0.0);(227.0,0.0);(228.0,0.003);(229.0,0.015);(230.0,0.013);(231.0,0.003);(232.0,0.008);(233.0,0.002);(234.0,0.001);(235.0,0.0);(236.0,0.0);(238.0,0.0);(240.0,0.0);(241.0,0.001);(242.0,0.0);(243.0,0.0);(244.0,0.001);(245.0,0.001);(246.0,0.001);(247.0,0.0);(248.0,0.0);(249.0,0.0);(255.0,0.0);(256.0,0.0);(257.0,0.038);(258.0,0.014);(259.0,0.006);(260.0,0.001);(261.0,0.0);(262.0,0.0);(263.0,0.0);(267.0,0.0);(269.0,0.0);(270.0,0.0);(271.0,0.0);(272.0,0.001);(273.0,0.002);(274.0,0.004);(275.0,0.008);(276.0,0.002);(277.0,0.001);(278.0,0.0);(279.0,0.0);(280.0,0.0);(282.0,0.0);(283.0,0.0);(284.0,0.0);(285.0,0.001);(286.0,0.001);(287.0,0.0);(288.0,0.0);(289.0,0.0);(290.0,0.0);(291.0,0.0);(293.0,0.0);(294.0,0.0);(295.0,0.0);(298.0,0.0);(299.0,0.0);(300.0,0.001);(301.0,0.0);(302.0,0.0);(303.0,0.005);(304.0,0.001);(305.0,0.0);(306.0,0.0);(307.0,0.0);(308.0,0.0);(309.0,0.0);(315.0,0.0);(317.0,0.0);(318.0,0.008);(319.0,0.002);(320.0,0.001);(321.0,0.0);(322.0,0.0);(324.0,0.0);(328.0,0.0);(332.0,0.0);(333.0,0.0);(334.0,0.0);(335.0,0.0);(337.0,0.0);(348.0,0.0);(352.0,0.0);(353.0,0.0);(354.0,0.0);(355.0,0.0);(358.0,0.0);(362.0,0.0);(363.0,0.0);(364.0,0.0);(365.0,0.0);(367.0,0.0);(368.0,0.0);(374.0,0.0);(376.0,0.0);(377.0,0.0);(381.0,0.0);(384.0,0.0);(387.0,0.0);(389.0,0.0);(394.0,0.0);(395.0,0.0);(396.0,0.0);(398.0,0.0);(399.0,0.0);(404.0,0.0);(407.0,0.0);(408.0,0.0);(411.0,0.0);(416.0,0.0);(418.0,0.0);(419.0,0.0);(420.0,0.0);(421.0,0.0);(422.0,0.0);(423.0,0.0);(425.0,0.0);(430.0,0.0);(432.0,0.0);(434.0,0.0);(435.0,0.0);(437.0,0.0);(438.0,0.0);(439.0,0.0);(446.0,0.0);(448.0,0.0);(450.0,0.0);(452.0,0.0);(455.0,0.0);(456.0,0.0);(458.0,0.0);(460.0,0.0);(461.0,0.0);(462.0,0.0);(463.0,0.0);(465.0,0.0);(466.0,0.0);(468.0,0.0);(471.0,0.0);(473.0,0.0);(479.0,0.0);(482.0,0.0);(483.0,0.0);(484.0,0.0);(486.0,0.0);(489.0,0.0);(492.0,0.0);(494.0,0.0);(495.0,0.0);(497.0,0.0);(499.0,0.0);(501.0,0.0);(503.0,0.0);(504.0,0.0);(507.0,0.0);(509.0,0.0);(510.0,0.0);(511.0,0.0);(512.0,0.0);(513.0,0.0);(514.0,0.0);(515.0,0.0);(516.0,0.0);(518.0,0.0);(520.0,0.0);(521.0,0.0);(525.0,0.0);(528.0,0.0);(529.0,0.0);(531.0,0.0);(532.0,0.0);(534.0,0.0);(536.0,0.0);(539.0,0.0);(540.0,0.0);(541.0,0.0);(544.0,0.0);(547.0,0.0);(548.0,0.0);(551.0,0.0);(558.0,0.0);(559.0,0.0);(562.0,0.0);(563.0,0.0);(566.0,0.0);(568.0,0.0);(569.0,0.0);(571.0,0.0);(573.0,0.0);(576.0,0.0);(578.0,0.0);(580.0,0.0);(581.0,0.0);(586.0,0.0);(587.0,0.0);(588.0,0.0);(589.0,0.0);(590.0,0.0);(592.0,0.0);(594.0,0.0);(595.0,0.0);(596.0,0.0);(597.0,0.0);(598.0,0.0);(600.0,0.0) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.916004206);(28.01817382,4.515506944);(28.03074982,1.402109192);(29.03857442,3.805126025);(30.03382302,5.687110503);(40.01817382,1.986245082);(42.03382302,5.976956107);(43.04164762,1.433736331);(44.04947222,6.725104058);(44.99710422,8.50927536);(47.01275342,2.0576624);(54.03382302,1.452093162);(55.01783932,1.448114561);(56.04947222,6.374994474);(58.06512142,4.315168591);(60.08077062,1.238963741);(72.04438632,1.916401766);(74.02365122,2.837903893);(84.04438632,4.305103633);(86.06003552,6.632161896);(99.06786012,1.710267184);(101.0709333,3.55272359);(101.0835093,1.228571663);(102.0549496,1.372192485);(128.0944071,2.054133276);(129.1022317,6.333335188);(130.0498637,1.538852733);(130.1100563,1.304275897);(156.0893212,1.96285775);(157.0971458,3.173934156);(158.0811621,1.233114154) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (28.01817382,1.921405131);(29.03857442,1.703721708);(30.03382302,3.539118333);(56.04947222,2.892536866);(58.06512142,1.780393953);(59.03115062,0.7529673351);(71.03115062,0.9862495361);(73.04679982,6.132913571);(74.05462442,0.7283884227);(75.02606472,2.609839327);(75.06244902,1.276200132);(89.04171392,5.015059592);(90.04953852,0.6989324951);(91.05736312,2.585609179);(117.036628,2.298649018);(129.1022317,1.822082466);(144.0839101,0.8957236534);(146.063175,1.179863002);(156.0839101,0.7221430621);(158.0995593,2.481259317);(172.1152085,1.023597667);(173.1104571,3.219709914);(185.1104571,0.9114627666);(199.1261063,0.8879159444);(201.1417555,3.976965614);(202.1495801,0.6863149461);(229.1366696,2.40878043);(245.1315837,1.025625712);(246.1394083,1.108385428);(275.1241599,1.262829201);(303.1554583,2.461584509) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (27.02292522,1.126179623);(28.01817382,1.969780611);(28.03074982,1.246006808);(29.03857442,3.018210374);(30.03382302,2.29401591);(44.01308792,1.072344745);(44.04947222,2.233471795);(44.99710422,2.13899027);(45.05729682,1.037559752);(56.04947222,3.042719861);(58.06512142,1.707436792);(72.04438632,2.69720786);(74.02365122,6.24302565);(84.04438632,2.513206387);(86.02365122,1.236818905);(86.06003552,1.624697328);(87.03147582,0.8904477391);(88.03930042,1.780844111);(98.06003552,1.01270777);(99.05528412,1.395773014);(100.0756847,1.032506139);(101.0709333,3.331731948);(102.0549496,4.086590255);(127.0865825,1.055825);(128.0944071,1.61287115);(129.1022317,5.478262703);(130.0498637,7.554975561);(156.0893212,1.018454912);(157.0971458,1.406069761);(158.0811621,1.200966128);(174.0998845,0.8885181913) | |
| LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (84.1,0.092286);(84.9,0.038453);(99.4,0.046143);(106.8,0.030762);(115.1,0.053834);(126.8,0.092286);(128.2,0.592171);(129.2,0.615243);(147.2,0.123049);(154.3,0.046143);(155.0,5.898639);(173.1,100.0) | |
| LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (57.3,0.19674);(59.1,0.365374);(71.8,0.309162);(74.0,6.183249);(82.1,4.721754);(84.3,18.015739);(84.8,0.505902);(86.1,4.55312);(91.1,0.281057);(97.4,0.140528);(97.9,0.899382);(99.2,4.215852);(100.1,1.068016);(100.7,0.84317);(101.4,0.140528);(109.1,0.421585);(110.0,0.421585);(111.0,0.421585);(112.0,3.738055);(125.1,1.742552);(126.0,1.43339);(126.9,17.397414);(128.0,17.650365);(129.2,11.888702);(137.6,0.365374);(152.8,0.365374);(155.2,100.0);(173.3,41.48398) | |
| LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (39.7,0.728155);(41.8,3.883495);(54.0,0.970874);(56.5,2.427184);(58.1,11.650485);(59.1,2.669903);(68.9,1.456311);(69.8,0.970874);(71.9,7.76699);(74.0,62.864078);(82.1,51.699029);(84.3,100.0);(86.2,64.805825);(97.7,2.184466);(99.1,48.058252);(100.1,16.019417);(100.9,4.61165);(108.7,1.213592);(110.5,1.699029);(112.2,14.805825);(125.0,23.786408);(125.9,7.76699);(126.9,33.980583);(128.4,8.495146);(129.4,6.553398);(155.1,36.650485) | |
| LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (41.2,22.727273);(42.3,39.393939);(44.1,12.121212);(54.1,16.666667);(58.3,60.606061);(58.8,12.121212);(68.8,6.060606);(72.3,28.787879);(73.8,72.727273);(81.2,6.060606);(82.0,62.121212);(84.2,100.0);(86.1,77.272727);(99.3,18.181818);(100.3,21.212121);(109.0,4.545455);(125.3,24.242424);(125.9,6.060606) | |
| LC-MS/MS | LC-ESI-QQ | negative | Not Available | View Spectrum | (40.3,36.363636);(41.0,54.545455);(52.2,40.909091);(58.0,77.272727);(72.3,22.727273);(73.7,45.454545);(82.0,100.0);(84.3,59.090909);(86.4,36.363636) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (40.8,0.034462);(46.0,12.001378);(56.5,0.060308);(61.0,0.051693);(62.9,0.180925);(69.2,0.275696);(70.8,0.129232);(72.0,0.473852);(72.5,0.017231);(76.3,0.129232);(76.9,0.09477);(80.6,0.17231);(83.1,0.396313);(84.1,69.682088);(85.0,1.016628);(86.2,0.043077);(86.9,0.086155);(88.1,0.292927);(95.4,0.077539);(97.2,0.060308);(100.8,0.051693);(102.1,3.549582);(111.3,1.826484);(112.3,1.860946);(113.7,0.025846);(115.1,0.077539);(119.0,0.060308);(125.0,0.112001);(128.9,30.516068);(130.2,27.595417);(138.9,0.034462);(140.0,0.465236);(146.2,0.370466);(157.4,1.249246);(158.2,100.0);(161.2,0.043077);(175.1,10.045662) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.3,0.094313);(41.0,0.216366);(44.0,0.144244);(44.4,0.033287);(46.0,8.393897);(56.3,1.847434);(57.2,0.15534);(58.0,0.049931);(60.9,0.022191);(62.8,0.083218);(67.9,0.094313);(69.0,0.893204);(69.9,0.144244);(70.9,0.027739);(72.1,2.130374);(73.8,0.07767);(75.7,0.055479);(80.9,0.072122);(83.3,0.82663);(84.1,100.0);(85.1,4.127601);(87.0,0.288488);(88.2,0.144244);(94.1,0.083218);(95.0,0.249653);(96.4,0.033287);(102.0,1.897365);(105.0,0.049931);(111.0,1.120666);(112.2,1.209431);(113.3,0.088766);(116.4,0.033287);(119.3,0.044383);(129.0,0.932039);(130.2,3.545076);(132.6,0.022191);(140.0,0.133148);(142.3,0.022191);(146.4,0.122053);(158.3,6.513176) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.0,0.12072);(41.1,1.613257);(43.1,0.087796);(44.2,1.174276);(46.0,8.977173);(55.0,0.087796);(56.2,14.102283);(57.3,0.658472);(61.4,0.043898);(67.9,0.219491);(69.0,0.713345);(69.9,0.109745);(72.0,1.712028);(74.1,0.48288);(76.0,0.065847);(83.2,1.404741);(84.1,100.0);(84.9,4.060579);(87.3,0.109745);(90.3,0.065847);(91.0,0.065847);(94.1,0.087796);(95.1,0.197542);(102.2,0.526778);(106.6,0.043898);(111.2,0.614574);(112.4,0.471905);(112.6,0.131694);(119.2,0.087796);(129.2,0.043898);(130.2,0.252414);(146.2,0.065847);(158.2,0.274363) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (28.9,0.339175);(39.0,0.678349);(41.3,7.292256);(44.0,2.769927);(45.1,0.395704);(46.0,11.079706);(55.3,0.452233);(56.1,57.659695);(57.1,1.24364);(62.6,0.113058);(66.0,1.187111);(66.2,0.508762);(68.7,0.62182);(70.2,0.508762);(72.0,1.130582);(73.7,0.847937);(76.9,0.169587);(82.4,0.282646);(83.1,3.222159);(84.2,100.0);(84.9,2.261164);(94.1,0.565291);(100.4,0.113058) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (41.99659,28.57);(58.02873,33.33);(70.02639,28.57);(74.02216,66.67);(84.04503,33.33);(86.02776,28.57);(100.07199,33.33);(101.06285,33.33);(112.07484,33.33);(126.03979,28.57);(127.05023,28.57);(128.0377,33.33);(129.10075,28.57);(136.9344,66.67);(155.08363,100.0);(173.08739,33.33) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (46.0645,23.85);(47.06812,1.43);(56.04819,5.01);(84.04337,100.0);(85.024,3.34);(112.07371,3.34);(130.04718,8.31);(158.08005,49.76) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | medium | View Spectrum | (54.0,0.01001001);(56.5,0.02402402);(58.1,0.11611612);(59.1,0.02702703);(68.9,0.01501502);(69.8,0.01001001);(71.9,0.07807808);(74.0,0.62862863);(82.1,0.51651652);(84.3,1.0);(86.2,0.64764765);(97.7,0.02202202);(99.1,0.48048048);(100.1,0.16016016);(100.9,0.04604605);(108.7,0.01201201);(110.5,0.01701702);(112.2,0.14814815);(125.0,0.23823824);(125.9,0.07807808);(126.9,0.33933934);(128.4,0.08508509);(129.4,0.06506507);(155.1,0.36636637) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | low | View Spectrum | (84.1,0.001001);(84.9,0.001001);(99.4,0.001001);(106.8,0.001001);(115.1,0.001001);(126.8,0.001001);(128.2,0.00600601);(129.2,0.00600601);(147.2,0.001001);(154.3,0.001001);(155.0,0.05905906);(173.1,1.0) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | high | View Spectrum | (52.2,0.40940941);(58.0,0.77277277);(72.3,0.22722723);(73.7,0.45445445);(82.0,1.0);(84.3,0.59059059);(86.4,0.36336336) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | medium | View Spectrum | (57.3,0.002002);(59.1,0.004004);(71.8,0.003003);(74.0,0.06206206);(82.1,0.04704705);(84.3,0.18018018);(84.8,0.00500501);(86.1,0.04504505);(91.1,0.003003);(97.4,0.001001);(97.9,0.00900901);(99.2,0.04204204);(100.1,0.01101101);(100.7,0.00800801);(101.4,0.001001);(109.1,0.004004);(110.0,0.004004);(111.0,0.004004);(112.0,0.03703704);(125.1,0.01701702);(126.0,0.01401401);(126.9,0.17417417);(128.0,0.17617618);(129.2,0.11911912);(137.6,0.004004);(152.8,0.004004);(155.2,1.0);(173.3,0.41441441) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Negative | high | View Spectrum | (54.1,0.16716717);(58.3,0.60560561);(58.8,0.12112112);(68.8,0.06106106);(72.3,0.28828829);(73.8,0.72772773);(81.2,0.06106106);(82.0,0.62162162);(84.2,1.0);(86.1,0.77277277);(99.3,0.18218218);(100.3,0.21221221);(109.0,0.04504505);(125.3,0.24224224);(125.9,0.06106106) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Positive | high | View Spectrum | (55.3,0.00500501);(56.1,0.57657658);(57.1,0.01201201);(62.6,0.001001);(66.0,0.01201201);(66.2,0.00500501);(68.7,0.00600601);(70.2,0.00500501);(72.0,0.01101101);(73.7,0.00800801);(76.9,0.002002);(82.4,0.003003);(83.1,0.03203203);(84.2,1.0);(84.9,0.02302302);(94.1,0.00600601);(100.4,0.001001) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Positive | high | View Spectrum | (55.0,0.001001);(56.2,0.14114114);(57.3,0.00700701);(61.4,0.001001);(67.9,0.002002);(69.0,0.00700701);(69.9,0.001001);(72.0,0.01701702);(74.1,0.00500501);(76.0,0.001001);(83.2,0.01401401);(84.1,1.0);(84.9,0.04104104);(87.3,0.001001);(90.3,0.001001);(91.0,0.001001);(94.1,0.001001);(95.1,0.002002);(102.2,0.00500501);(106.6,0.001001);(111.2,0.00600601);(112.4,0.00500501);(112.6,0.001001);(119.2,0.001001);(129.2,0.001001);(130.2,0.003003);(146.2,0.001001);(158.2,0.003003) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Positive | medium | View Spectrum | (56.3,0.01801802);(57.2,0.002002);(58.0,0.001001);(60.9,0.001001);(62.8,0.001001);(67.9,0.001001);(69.0,0.00900901);(69.9,0.001001);(70.9,0.001001);(72.1,0.02102102);(73.8,0.001001);(75.7,0.001001);(80.9,0.001001);(83.3,0.00800801);(84.1,1.0);(85.1,0.04104104);(87.0,0.003003);(88.2,0.001001);(94.1,0.001001);(95.0,0.002002);(96.4,0.001001);(102.0,0.01901902);(105.0,0.001001);(111.0,0.01101101);(112.2,0.01201201);(113.3,0.001001);(116.4,0.001001);(119.3,0.001001);(129.0,0.00900901);(130.2,0.03503504);(132.6,0.001001);(140.0,0.001001);(142.3,0.001001);(146.4,0.001001);(158.3,0.06506507) | |
| LC-MS/MS | LC-ESI-UNKNOWN | Positive | medium | View Spectrum | (56.5,0.001001);(61.0,0.001001);(62.9,0.002002);(69.2,0.003003);(70.8,0.001001);(72.0,0.00500501);(72.5,0.001001);(76.3,0.001001);(76.9,0.001001);(80.6,0.002002);(83.1,0.004004);(84.1,0.6966967);(85.0,0.01001001);(86.2,0.001001);(86.9,0.001001);(88.1,0.003003);(95.4,0.001001);(97.2,0.001001);(100.8,0.001001);(102.1,0.03503504);(111.3,0.01801802);(112.3,0.01901902);(113.7,0.001001);(115.1,0.001001);(119.0,0.001001);(125.0,0.001001);(128.9,0.30530531);(130.2,0.27627628);(138.9,0.001001);(140.0,0.00500501);(146.2,0.004004);(157.4,0.01201201);(158.2,1.0);(161.2,0.001001);(175.1,0.1001001) | |
| LC-MS/MS | LC-ESI-Q | Negative | medium | View Spectrum | (74.0,0.062);(82.1,0.047);(84.3,0.18);(86.1,0.046);(99.2,0.042);(100.1,0.011);(112.0,0.037);(125.1,0.017);(126.0,0.014);(126.9,0.174);(128.0,0.177);(129.2,0.119);(155.2,1.0);(173.3,0.415) | |
| LC-MS/MS | LC-ESI-Q | Negative | medium | View Spectrum | (54.0,0.01);(56.5,0.024);(58.1,0.117);(59.1,0.027);(68.9,0.015);(69.8,0.01);(71.9,0.078);(74.0,0.629);(82.1,0.517);(84.3,1.0);(86.2,0.648);(97.7,0.022);(99.1,0.481);(100.1,0.16);(100.9,0.046);(108.7,0.012);(110.5,0.017);(112.2,0.148);(125.0,0.238);(125.9,0.078);(126.9,0.34);(128.4,0.085);(129.4,0.066);(155.1,0.367) | |
| LC-MS/MS | LC-ESI-Q | Negative | high | View Spectrum | (54.1,0.167);(58.3,0.606);(58.8,0.121);(68.8,0.061);(72.3,0.288);(73.8,0.727);(81.2,0.061);(82.0,0.621);(84.2,1.0);(86.1,0.773);(99.3,0.182);(100.3,0.212);(109.0,0.045);(125.3,0.242);(125.9,0.061) | |
| LC-MS/MS | LC-ESI-Q | Negative | high | View Spectrum | (52.2,0.409);(58.0,0.773);(72.3,0.227);(73.7,0.455);(82.0,1.0);(84.3,0.591);(86.4,0.364) | |
| LC-MS/MS | LC-ESI-Q | Positive | medium | View Spectrum | (84.1,0.697);(85.0,0.01);(102.1,0.035);(111.3,0.018);(112.3,0.019);(128.9,0.305);(130.2,0.276);(157.4,0.012);(158.2,1.0);(175.1,0.1) | |
| LC-MS/MS | LC-ESI-Q | Positive | medium | View Spectrum | (56.3,0.018);(72.1,0.021);(84.1,1.0);(85.1,0.041);(102.0,0.019);(111.0,0.011);(112.2,0.012);(130.2,0.035);(158.3,0.065) | |
| LC-MS/MS | LC-ESI-Q | Positive | high | View Spectrum | (56.2,0.141);(72.0,0.017);(83.2,0.014);(84.1,1.0);(84.9,0.041) | |
| LC-MS/MS | LC-ESI-Q | Positive | high | View Spectrum | (56.1,0.577);(57.1,0.012);(66.0,0.012);(72.0,0.011);(83.1,0.032);(84.2,1.0);(84.9,0.023) | |
| LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (50.6324,0.00009904);(50.657816,0.00008743);(51.39275,0.00013143);(52.523978,0.00013051);(53.380091,0.00011238);(53.486554,0.00010495);(54.010087,0.00009968);(54.258336,0.00009002);(54.328705,0.00008355);(55.415794,0.00006819);(55.554278,0.00010221);(56.99297,0.00010393);(57.133956,0.00011048);(57.198875,0.0000776);(57.770821,0.00011286);(58.028481,0.0034682);(58.576872,0.00006184);(58.952221,0.0001025);(59.057111,0.00009859);(60.431005,0.0000977);(61.354409,0.0000665);(61.986986,0.00139397);(63.178612,0.00010895);(63.225727,0.00010591);(63.586447,0.00009267);(64.130683,0.00009683);(64.13506,0.00009713);(64.338451,0.00010195);(64.819166,0.00010611);(65.781195,0.00010181);(66.123941,0.00010162);(67.982561,0.0000998);(70.758449,0.00008296);(71.012547,0.00009448);(71.032828,0.00007862);(71.412961,0.00009546);(72.007733,0.02466981);(72.044124,0.00767702);(72.425709,0.00009405);(72.991768,0.00282527);(73.028046,0.00010976);(73.047794,0.00007276);(73.292474,0.00008297);(73.780624,0.00009708);(74.023401,0.06413779);(74.405479,0.00008576);(74.614068,0.00008599);(75.026898,0.00028338);(75.678583,0.00011144);(75.834735,0.00009869);(76.211268,0.00010439);(76.783473,0.00010004);(77.401749,0.00007917);(77.701995,0.0001272);(77.741512,0.00010998);(78.80162,0.00009388);(78.956717,0.00012001);(81.014656,0.00008922);(82.028481,0.06573918);(83.002173,0.00010363);(83.031855,0.00197251);(84.044145,0.19489357);(85.028226,0.0002115);(85.047498,0.00719596);(86.023405,0.02554949);(86.059791,0.03239001);(87.063151,0.00013395);(89.023121,0.00182306);(89.924388,0.00006918);(91.453525,0.00009204);(91.479889,0.00013006);(91.956012,0.00010555);(94.86914,0.00010431);(96.326881,0.00008252);(96.945177,0.0000811);(98.023458,0.010832);(98.059792,0.00800959);(98.614908,0.00009178);(99.035904,0.00012366);(99.055091,0.05553595);(100.05843,0.0009626);(100.07546,0.01329763);(100.920999,0.00011113);(101.070775,0.00490073);(101.712438,0.00010188);(103.509001,0.00008667);(103.52046,0.00010368);(106.906782,0.00011781);(107.024573,0.00009843);(107.073702,0.00008614);(108.620453,0.0000681);(108.947594,0.00007625);(109.039484,0.00045272);(110.023455,0.00197117);(110.275771,0.00007069);(110.343575,0.00010394);(111.080325,0.0050003);(112.038912,0.00010917);(112.075527,0.02992884);(113.071048,0.0001086);(113.078913,0.00100858);(113.116148,0.00011337);(113.615145,0.00010561);(113.987356,0.00010495);(114.333721,0.00010349);(114.923342,0.00008093);(115.649753,0.00009591);(116.013844,0.00010059);(116.034067,0.00712341);(116.224795,0.00011607);(117.130242,0.00008306);(117.950422,0.0000606);(122.799626,0.0001138);(122.84513,0.00009461);(122.991047,0.00008441);(123.575666,0.00010455);(125.070863,0.03683843);(126.04228,0.01109238);(126.054773,0.01065359);(126.074216,0.00116515);(126.40346,0.00010798);(127.045109,0.00062727);(127.05015,0.05071835);(127.075278,0.00550628);(127.086494,0.07540746);(127.111714,0.00165773);(127.745706,0.00011867);(128.034114,0.20941675);(128.05318,0.00021988);(128.070516,0.00229359);(128.078722,0.00037135);(128.084144,0.00011758);(128.08992,0.00385443);(128.730544,0.00010964);(129.037459,0.01038886);(129.090779,0.00064676);(129.102156,0.13444629);(130.100135,0.00024104);(130.105466,0.00757239);(131.624626,0.00009835);(137.070851,0.00006463);(138.088937,0.00011536);(139.742424,0.00031707);(139.99112,0.00008384);(142.89695,0.0003625);(143.898028,0.00100428);(143.908184,0.00008846);(144.896672,0.00022293);(145.924666,0.00009462);(146.961948,0.00012258);(149.06462,0.00007983);(153.065882,0.03715101);(154.069382,0.00148468);(154.946245,0.00419724);(155.070329,0.00076231);(155.081523,1.0);(155.946171,0.00009299);(156.065858,0.00020956);(156.078556,0.00584485);(156.084877,0.07351079);(157.08671,0.00087737);(158.22353,0.00007785);(158.589971,0.00007139);(166.581847,0.00012051);(167.06165,0.00011283);(170.068685,0.00079925);(171.011753,0.00010304);(171.064982,0.00010633);(171.101712,0.01146122);(171.138085,0.00798597);(172.060513,0.00039671);(172.104832,0.00234084);(172.141539,0.00035351);(172.829922,0.00024375);(172.907595,0.00031265);(172.95746,0.00125974);(173.092235,0.55525154);(173.174873,0.00008475);(173.90867,0.00049979);(174.09571,0.04026007);(174.907284,0.00045965);(175.096934,0.00190241);(175.649391,0.00010491);(176.019992,0.00009847);(176.416094,0.00012524) | |
| LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (50.103392,0.00011773);(50.233009,0.00009852);(50.301504,0.00007238);(50.476466,0.00004831);(50.891774,0.00005501);(50.98115,0.00007797);(51.549585,0.00009841);(53.002516,0.00011163);(53.65461,0.00010383);(54.034224,0.00010436);(54.518613,0.00010131);(56.049866,0.00411246);(56.653774,0.00007231);(57.324772,0.00008615);(57.671285,0.00006414);(58.162221,0.00009682);(58.576551,0.00009093);(58.702858,0.00008199);(59.329436,0.00007056);(59.808279,0.00008715);(59.868429,0.00009586);(61.027352,0.00007571);(62.181389,0.00007625);(62.279327,0.00007791);(62.748548,0.00009006);(63.339935,0.00009581);(64.238502,0.00006657);(64.458652,0.00009292);(65.240338,0.00008214);(65.280941,0.00011546);(66.096912,0.00009973);(66.525103,0.00008332);(67.974376,0.00008206);(69.033596,0.00045309);(70.739271,0.00006678);(72.044535,0.00317344);(72.195778,0.00010132);(72.380563,0.00007648);(73.272204,0.00009111);(74.876742,0.00009539);(75.732893,0.00008579);(75.812562,0.00007551);(79.306508,0.00009892);(79.480874,0.00010767);(80.901773,0.00010799);(81.21967,0.00010897);(82.852518,0.00006421);(83.060705,0.0000706);(84.044433,0.54925018);(85.028433,0.00569542);(85.041451,0.00093208);(85.04778,0.02273815);(85.51246,0.00009916);(86.795827,0.00010822);(87.044093,0.00046977);(87.614413,0.00008397);(89.847671,0.0001027);(90.222311,0.00005886);(90.41821,0.00006171);(91.600594,0.00008178);(91.675663,0.00006396);(92.087277,0.00011296);(92.317277,0.00005883);(92.392686,0.00006293);(94.138757,0.0000836);(94.427938,0.00006559);(94.470946,0.00012161);(94.829021,0.00007777);(95.680468,0.00009675);(97.321605,0.00005371);(97.994738,0.00059899);(98.821036,0.00006291);(98.975414,0.0103939);(99.346568,0.00008333);(99.488192,0.00005676);(102.055005,0.02136452);(102.058485,0.00015967);(103.058606,0.00009294);(106.999937,0.00907078);(107.997884,0.00007538);(108.493551,0.00080735);(108.98082,0.00006477);(111.091691,0.01488158);(112.075707,0.01117204);(113.079008,0.00013816);(115.039892,0.00007641);(115.693168,0.00012768);(116.005316,0.01998261);(116.986064,0.00124274);(117.003195,0.00062993);(117.22968,0.00009741);(118.346931,0.00010573);(120.26069,0.00007971);(123.414833,0.0000951);(125.010687,0.00100894);(125.757187,0.00007999);(127.183609,0.00008852);(127.779458,0.00010433);(129.102213,0.31872909);(130.049922,0.25354963);(130.086321,0.02738784);(130.099936,0.00172247);(130.105504,0.0197395);(131.047758,0.00020574);(131.053157,0.01290219);(131.089654,0.00060016);(133.954472,0.00008899);(137.001761,0.0001152);(138.038856,0.00007186);(138.955695,0.00009512);(140.070775,0.00153257);(141.566246,0.00007649);(142.126903,0.00006481);(142.711935,0.0001143);(142.875806,0.00009633);(143.37748,0.00010472);(145.116249,0.00005794);(145.468219,0.00008262);(146.007317,0.00013157);(146.968669,0.00009288);(153.100354,0.00011706);(157.097322,0.01001768);(158.069063,0.00116524);(158.081179,1.0);(159.078704,0.00327305);(159.084539,0.07451753);(160.075723,0.00087744);(160.08584,0.00202798);(164.588874,0.00008002);(172.847741,0.00007335);(173.078592,0.00013015);(173.107279,0.00144204);(174.110541,0.00013053);(174.148852,0.00012831);(175.107732,0.11887404);(176.111126,0.00892783);(176.989789,0.00006325) | |
| LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.356086,0.00019573);(50.495318,0.00011976);(50.57956,0.00013343);(51.849266,0.0002253);(53.21769,0.00009675);(54.353645,0.00015092);(54.698008,0.00016634);(55.923743,0.00017909);(56.049781,0.01558211);(57.052941,0.00011486);(57.704765,0.00014978);(58.194437,0.00017177);(58.316961,0.00014513);(58.94626,0.00017192);(59.143386,0.00017486);(59.647049,0.00019815);(59.715245,0.00010744);(59.795132,0.00016978);(59.897296,0.00012624);(61.382612,0.00017457);(62.442545,0.00015414);(62.536878,0.00009224);(62.945863,0.0001696);(63.224346,0.00012239);(63.541774,0.00012332);(63.976267,0.00013764);(64.718025,0.00013372);(66.537291,0.00012989);(67.125496,0.00011784);(67.571427,0.00012535);(67.63565,0.00009822);(69.033618,0.00356256);(69.937749,0.0001368);(70.116836,0.00012965);(72.025273,0.00011035);(72.04446,0.01487121);(73.350127,0.00017314);(73.352036,0.00013232);(76.165108,0.00019617);(79.981568,0.00018763);(80.316397,0.00011672);(80.728859,0.00009291);(81.103205,0.00012241);(81.380012,0.00009723);(81.395649,0.00019276);(81.450192,0.00016473);(81.934601,0.00014283);(83.060334,0.00130331);(83.839333,0.00015404);(84.044427,1.0);(84.62076,0.00010331);(84.712824,0.00010609);(85.028405,0.02078463);(85.031411,0.0001476);(85.041455,0.00136127);(85.047776,0.04080581);(85.789264,0.00013415);(86.031601,0.00016091);(87.044094,0.00159018);(87.620105,0.00012142);(87.653981,0.00010147);(88.188568,0.00012943);(88.25058,0.00012698);(88.917069,0.00009022);(89.797954,0.00015043);(90.605083,0.00011966);(91.413837,0.00011485);(91.531129,0.0001036);(93.157883,0.00017558);(94.425884,0.00015884);(94.871437,0.00015755);(95.012687,0.00025462);(95.172503,0.00016047);(97.899296,0.0001455);(97.994694,0.00019607);(98.21377,0.00016962);(98.255491,0.0001006);(98.587438,0.00009364);(98.975381,0.00959561);(99.204845,0.00020704);(99.488311,0.00044936);(101.483719,0.00013426);(102.055022,0.03690916);(103.058259,0.00023285);(106.999933,0.00625807);(107.676727,0.00012689);(108.49352,0.00591805);(109.603082,0.00011193);(111.091676,0.02265386);(111.724611,0.00013594);(112.039277,0.00087845);(112.075686,0.01890732);(112.095166,0.00027885);(112.315955,0.00019895);(112.386325,0.00012896);(113.078623,0.0001951);(113.160504,0.00014483);(113.810491,0.00019504);(114.562289,0.00013821);(115.230961,0.00017633);(115.298808,0.00015511);(116.005279,0.01183734);(116.986045,0.00130891);(117.3225,0.0001197);(117.498839,0.00069918);(118.465513,0.00018215);(120.366902,0.00009101);(121.351103,0.00016192);(121.650533,0.00011489);(122.453515,0.00011557);(124.126318,0.00020529);(125.010484,0.00013223);(126.362718,0.00017327);(127.136541,0.00010134);(127.700269,0.00017593);(128.528675,0.00014402);(129.102252,0.16203311);(130.049878,0.17447092);(130.086274,0.05698166);(130.105448,0.01013771);(130.330497,0.00019343);(130.914715,0.00013808);(131.05324,0.00923248);(131.089508,0.00132291);(133.050755,0.00012457);(137.443125,0.00011233);(137.44759,0.00021316);(137.685798,0.00018727);(138.371036,0.00012632);(140.070588,0.00366305);(140.302353,0.00019326);(141.202449,0.00014323);(142.515557,0.00021387);(144.233214,0.00011024);(145.224205,0.00012024);(146.670556,0.00016512);(148.839137,0.00020373);(150.55951,0.0001246);(156.10839,0.00010615);(156.183101,0.00015037);(157.097225,0.00497853);(158.081192,0.66156851);(159.078029,0.00210655);(159.084538,0.04907747);(159.223528,0.00010531);(159.990541,0.00020193);(160.076004,0.00017922);(160.085707,0.00038801);(165.435886,0.00017623);(170.027911,0.00022617);(173.107464,0.0007877);(174.110911,0.00020504);(175.10773,0.01602503);(175.254976,0.00023794);(176.110814,0.00019877) | |
| LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.129178,0.00005026);(50.721679,0.00006355);(51.841093,0.00007957);(51.951871,0.00007562);(51.989174,0.00005876);(52.197055,0.00005169);(53.002504,0.00084358);(53.563932,0.00006653);(54.046241,0.00010122);(54.676753,0.00005358);(55.97418,0.00006513);(56.049779,0.06097154);(56.597703,0.00007894);(56.609187,0.00010228);(56.96508,0.00063109);(57.033756,0.00210649);(57.053126,0.00112502);(57.57644,0.00007067);(57.686599,0.00010993);(57.816117,0.00008512);(60.220013,0.0000614);(60.515645,0.00008467);(60.518597,0.00009733);(62.379912,0.0000549);(62.872982,0.00007218);(63.496108,0.00010645);(64.638857,0.00011693);(65.414291,0.00007828);(65.502967,0.00010828);(65.612527,0.00010329);(65.640518,0.00010148);(65.954359,0.00005619);(66.616961,0.00006511);(66.689939,0.00007783);(67.200508,0.00006877);(67.263558,0.00009845);(67.395532,0.00007612);(67.47077,0.00007399);(67.9894,0.00011116);(67.993322,0.00020532);(68.44213,0.00012805);(69.033572,0.00826138);(69.496064,0.00011259);(69.624715,0.00012462);(70.794683,0.00005716);(71.170391,0.00006186);(71.888165,0.00012945);(72.015908,0.00010857);(72.042267,0.00020148);(72.044456,0.02512635);(72.125781,0.00012411);(72.245581,0.00011023);(72.73404,0.00006262);(72.897495,0.00010046);(73.047768,0.00008252);(73.561408,0.0001171);(74.023616,0.00007329);(74.295394,0.00008583);(75.765135,0.00005663);(76.77106,0.0001077);(76.998293,0.00208097);(77.384829,0.00006216);(77.479918,0.00009238);(77.687586,0.00008041);(78.655063,0.0001186);(79.02117,0.00009668);(79.416645,0.00008067);(80.595699,0.00014429);(81.569707,0.00009454);(81.74002,0.00006558);(82.052684,0.00009043);(83.042932,0.00009021);(83.060371,0.00791313);(83.185654,0.00007696);(83.249728,0.00060471);(83.256286,0.00024857);(84.033377,0.00008346);(84.039888,0.00089468);(84.044431,1.0);(84.080785,0.00074017);(84.255407,0.00009824);(84.462457,0.0000701);(84.850557,0.00010735);(85.028434,0.0478703);(85.041447,0.00306113);(85.047779,0.04048514);(85.050659,0.00107599);(85.196406,0.0000997);(86.003612,0.00453681);(86.031787,0.00111872);(86.048667,0.0000948);(87.044044,0.00176357);(87.979154,0.00011773);(88.381968,0.00008149);(89.337564,0.00008722);(91.356178,0.00007428);(91.677986,0.00007449);(92.335404,0.000061);(92.850076,0.00007803);(92.853877,0.00006335);(94.028455,0.00007842);(94.542163,0.00008407);(94.945389,0.00012433);(95.008899,0.00070465);(95.012711,0.00191348);(95.8568,0.00011146);(96.357207,0.00006647);(96.812644,0.00007932);(98.975432,0.00435252);(99.268914,0.00008559);(99.488242,0.00264654);(99.989833,0.00008199);(101.335032,0.00011239);(102.055008,0.02002441);(103.058462,0.0002186);(105.471277,0.00007137);(106.795935,0.00009278);(107.000002,0.00020628);(108.493523,0.00680563);(108.555419,0.0001246);(109.867846,0.00008232);(110.22948,0.00008715);(111.091715,0.01302013);(112.039381,0.00057823);(112.075703,0.0137351);(112.094818,0.00009467);(112.754986,0.0000856);(113.079191,0.0002006);(115.625785,0.00009304);(115.729279,0.00007695);(116.005339,0.00075848);(116.625077,0.00008985);(116.986145,0.00056183);(117.085974,0.00005916);(117.236082,0.00006282);(117.378227,0.00005892);(117.498761,0.00075378);(119.357292,0.00006845);(119.830313,0.0000815);(122.015208,0.00006121);(123.497583,0.00011125);(125.379092,0.00013487);(125.53921,0.00011513);(127.376193,0.00010789);(129.102239,0.0099665);(129.982995,0.00008463);(130.049951,0.02122546);(130.086305,0.02239887);(130.105657,0.00020233);(130.604897,0.00007404);(131.053284,0.00029459);(131.089606,0.00047742);(131.283112,0.00007782);(131.882923,0.00008979);(132.444293,0.0001303);(134.627839,0.00007198);(135.690877,0.00009164);(140.07078,0.00097393);(141.035783,0.00007905);(145.423984,0.00009363);(146.716163,0.00009121);(147.071353,0.00007483);(147.569099,0.00008823);(148.648664,0.00007976);(153.284344,0.00013214);(153.780233,0.00006997);(158.081155,0.09023102);(159.084603,0.00605075);(160.128746,0.00008676);(162.100155,0.00011368);(165.749754,0.00009146);(167.62928,0.00006486);(168.939987,0.0000621);(170.665871,0.00007708);(172.331193,0.00010927);(173.107582,0.0005395);(173.912867,0.00008458);(176.412101,0.00013172);(177.52045,0.00010462);(178.638065,0.00008172) | |
| LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.080626,0.00031481);(50.260993,0.00037669);(51.828264,0.00034028);(53.121592,0.00035642);(53.286951,0.00029451);(54.564811,0.00022434);(55.579577,0.0003345);(55.978174,0.00039779);(56.15101,0.00031885);(56.702314,0.00032242);(56.767064,0.00020156);(57.208788,0.00040046);(57.851642,0.00031235);(58.02842,0.02069225);(58.073254,0.00019353);(58.290306,0.00032235);(59.059235,0.00021361);(59.97992,0.00026142);(60.056922,0.0003395);(60.498125,0.00030805);(60.581529,0.00033582);(60.737175,0.00021462);(60.755178,0.00031432);(60.99859,0.0003308);(61.429042,0.00036331);(61.98702,0.00139401);(62.886697,0.00024268);(62.963135,0.00029039);(63.454174,0.00026818);(64.904572,0.00043206);(65.036524,0.00020965);(65.528072,0.00029785);(66.562007,0.0003004);(66.627324,0.00027628);(66.684055,0.00033955);(67.151274,0.00018774);(67.308415,0.00033961);(70.30463,0.0002489);(70.850209,0.00033435);(71.163446,0.00023502);(71.18766,0.00033151);(71.978076,0.00023229);(72.007714,0.06421521);(72.044096,0.02222527);(72.257188,0.00032255);(72.991755,0.00083689);(73.023038,0.00027142);(73.103461,0.00033471);(74.023392,0.20267985);(74.037131,0.0003326);(74.039798,0.00032209);(76.833144,0.00037164);(77.866188,0.00033633);(78.746799,0.00022741);(78.988421,0.00024397);(79.490966,0.00029427);(81.600878,0.00035658);(81.627469,0.00022496);(82.028482,0.1694531);(82.178877,0.00023648);(83.031801,0.00431879);(83.0768,0.00033926);(84.029371,0.00048738);(84.031276,0.00031652);(84.044139,0.45408735);(84.057057,0.00043371);(85.028185,0.00389343);(85.047462,0.01905895);(86.023419,0.07065957);(86.059803,0.10993843);(86.971528,0.0003726);(87.06292,0.000961);(87.973369,0.00039706);(87.990723,0.00021308);(89.023023,0.00079193);(90.858551,0.0003521);(90.963297,0.00033547);(91.768852,0.00029254);(96.712327,0.00030055);(98.023407,0.00545434);(98.05981,0.01887105);(98.172638,0.00029981);(98.748998,0.00037801);(99.055094,0.16266883);(100.058355,0.0041828);(100.075511,0.03730295);(100.122445,0.00033373);(101.07071,0.01970509);(101.078732,0.00024712);(101.433435,0.00035938);(103.009835,0.00033825);(105.79184,0.00034182);(109.039419,0.00053962);(109.547806,0.00038169);(110.02341,0.00398745);(110.632319,0.0003439);(111.080153,0.00553169);(112.075549,0.07881251);(112.331935,0.00026921);(112.736607,0.00031028);(113.078724,0.00170064);(114.237092,0.00041869);(114.444812,0.00026441);(114.962377,0.00021189);(116.034006,0.00158176);(117.843032,0.00038991);(118.09433,0.0003319);(118.098979,0.00038841);(121.583525,0.00036092);(124.596798,0.00031218);(124.910128,0.00025318);(125.070837,0.07959978);(125.105333,0.0002358);(126.042213,0.02517341);(126.054838,0.01281544);(126.074179,0.00219007);(127.045167,0.00116667);(127.050114,0.10074615);(127.075258,0.00283281);(127.086463,0.1490711);(127.09159,0.00105232);(127.111783,0.00024203);(128.034087,0.23876052);(128.053207,0.00090328);(128.071098,0.00032173);(128.089773,0.00470336);(129.037522,0.01007493);(129.090826,0.00172599);(129.10213,0.18887626);(129.107533,0.0006993);(130.100244,0.00030571);(130.105407,0.01024938);(130.656514,0.00039288);(130.809041,0.00040848);(130.827403,0.00024133);(130.86832,0.00036935);(131.183213,0.00031637);(131.693021,0.00034196);(132.460873,0.00026013);(135.043925,0.00022967);(138.054711,0.00041219);(139.720943,0.0002143);(139.765914,0.00023875);(141.73316,0.00031883);(142.896989,0.00131594);(143.897697,0.00190288);(144.896619,0.00078208);(145.945922,0.00043367);(148.452245,0.00042678);(150.84352,0.00034629);(152.018392,0.00020136);(153.065914,0.0305019);(154.069199,0.00039742);(154.946271,0.00483318);(155.045068,0.00057497);(155.081504,1.0);(155.117805,0.0003375);(156.06626,0.00032515);(156.078564,0.00449722);(156.084855,0.07400876);(158.009037,0.00037325);(159.729253,0.0003403);(160.957914,0.00036494);(163.200864,0.00035578);(168.319655,0.00035089);(170.069021,0.00056856);(171.071465,0.00039937);(171.101753,0.00331053);(171.13809,0.00254457);(172.060121,0.00036772);(173.092274,0.27068736);(174.095674,0.01908949) | |
| LC-MS/MS | LC-ESI-QFT | Negative | high | View Spectrum | (50.534184,0.00155803);(50.547599,0.00100348);(50.801467,0.00115039);(50.96987,0.00110314);(51.544737,0.0011466);(51.587768,0.00130772);(51.605727,0.00130131);(51.750149,0.00143574);(52.018045,0.00213176);(52.627991,0.00112684);(52.782837,0.00129672);(53.22001,0.00079658);(53.220901,0.00117244);(53.29993,0.00075272);(54.160088,0.00122918);(54.547546,0.00122579);(55.448781,0.0007897);(57.088477,0.00082388);(57.44943,0.00065393);(57.468394,0.00107576);(57.637837,0.00116532);(57.72252,0.00109968);(57.774762,0.00109468);(58.028444,0.1988139);(58.855341,0.00113212);(59.69798,0.00113873);(59.8754,0.0010003);(60.222189,0.00064335);(61.986907,0.00149802);(62.293832,0.0011145);(62.761361,0.00107993);(63.106129,0.00104454);(63.22331,0.00103402);(63.506538,0.00108678);(64.175328,0.0013622);(64.456878,0.00079901);(64.809603,0.00115689);(65.092021,0.00073595);(66.642728,0.00089139);(66.666143,0.00137035);(67.456621,0.00067238);(68.049102,0.00085288);(68.725345,0.0011239);(69.261245,0.00117185);(70.435559,0.00076633);(72.007725,0.1245168);(72.044122,0.14267466);(72.305858,0.00121416);(73.366266,0.00130688);(74.023397,0.66613119);(74.025744,0.00652828);(75.026714,0.00272526);(75.197385,0.00108688);(75.770615,0.00069834);(76.279086,0.00125903);(77.285438,0.00079871);(77.625743,0.00128501);(79.956041,0.00989636);(82.028473,0.54532521);(82.372081,0.00117219);(83.031874,0.01246773);(84.030677,0.0013137);(84.044142,1.0);(84.046956,0.01100791);(85.028129,0.01252076);(85.047532,0.02671088);(86.023401,0.19363601);(86.059805,0.39764517);(86.816025,0.00151167);(87.063139,0.00725225);(87.553249,0.00108754);(88.75106,0.00075444);(89.023072,0.00264855);(89.803014,0.00118806);(91.632183,0.00072925);(92.012325,0.00115243);(93.167621,0.00136571);(93.556281,0.00111743);(93.953549,0.00116649);(94.085304,0.00104805);(95.871079,0.00080874);(96.227457,0.00135452);(97.039386,0.00150367);(97.699699,0.00107161);(98.059802,0.05436545);(99.055095,0.39899219);(100.058265,0.00352026);(100.075495,0.13287623);(100.560801,0.00148903);(101.070708,0.04872048);(101.07859,0.00148986);(101.255034,0.00124929);(101.684123,0.00106879);(101.840097,0.00120972);(105.242007,0.00105697);(107.783567,0.00077859);(107.814159,0.00079491);(108.997843,0.00125396);(109.039341,0.00578642);(109.07607,0.0013082);(110.02335,0.00738485);(111.080276,0.00123204);(111.406014,0.00138829);(112.075552,0.12385184);(113.087603,0.00103438);(113.712049,0.00100953);(113.804504,0.0012155);(116.255024,0.00111259);(116.61876,0.00083601);(117.443954,0.00118862);(118.391823,0.00079627);(118.584336,0.0012052);(123.520395,0.00107303);(123.857595,0.00131436);(124.796977,0.0008695);(125.070865,0.21915655);(126.042234,0.0529228);(126.055071,0.00234505);(126.074042,0.00382194);(126.416778,0.0012318);(127.050134,0.10949787);(127.086478,0.16355196);(127.791661,0.00085772);(128.03409,0.13976969);(129.091145,0.00121699);(129.102185,0.12254927);(129.748797,0.00082882);(129.992183,0.00145619);(130.558462,0.00137772);(130.574285,0.00131568);(130.952008,0.00124591);(131.39159,0.00126997);(131.575361,0.00068566);(133.464638,0.00126852);(133.966967,0.00151312);(135.197471,0.00126581);(135.702084,0.00123491);(135.939501,0.00125037);(136.306516,0.001342);(137.071701,0.00126062);(137.873098,0.00130131);(138.173487,0.00070414);(142.897068,0.00673617);(142.990872,0.00113471);(143.246901,0.00116989);(143.897907,0.00891446);(144.896789,0.00668095);(145.63276,0.00119302);(147.953998,0.00077223);(148.823781,0.00138817);(150.385382,0.00123347);(151.551751,0.00079774);(154.129301,0.00132099);(154.946357,0.01882297);(155.074829,0.00397031);(155.08154,0.43559365);(156.084823,0.01958622);(160.744546,0.00129975);(161.046861,0.00122223);(165.304084,0.00126202);(165.823725,0.00126568);(168.611968,0.00124075);(171.59165,0.00117239);(172.343475,0.00092083);(172.401915,0.00127161);(173.092415,0.02509779) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.5664920596);(29.03912516,0.38481667);(42.03437413,3.802158634);(44.05002419,28.87823038);(46.06567426,6.549691741);(56.05002419,1.180786676);(58.06567426,0.3700999934);(72.04493881,0.5939839588);(74.02420337,0.9505685723);(84.04493881,0.3083687282);(86.06058888,2.142343893);(99.05583784,0.3880489891);(100.0762389,1.660485426);(101.0714879,0.4970465411);(102.0555035,1.237290661);(102.091889,0.4023601521);(111.0922234,0.84262573);(112.0762389,1.974096513);(114.0555035,0.3576019457);(115.0395191,0.2757458804);(127.087138,0.8073741078);(129.0664025,0.4209355123);(129.102788,17.90975357);(130.0504181,0.8289307317);(131.1184381,1.015831944);(132.0660682,0.3060377107);(140.0711536,2.227586557);(147.0769672,1.243534978);(157.0977027,4.368606824);(158.0817182,4.264366682);(175.1082673,13.24419824) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.8029782645);(28.01872406,0.435476002);(29.03912516,0.834533669);(42.03437413,1.019398271);(44.05002419,48.49174107);(46.06567426,5.580684165);(54.03437413,0.8646737928);(56.05002419,3.480123282);(58.06567426,0.9051583274);(72.04493881,0.7684466976);(74.02420337,0.4663114274);(85.0289544,0.3236958729);(86.06058888,7.259171136);(99.05583784,0.4138738525);(100.0762389,0.9608838303);(101.0714879,1.634160337);(102.0555035,0.9651930458);(102.091889,0.3559005753);(103.087138,0.3958854121);(111.0922234,1.09837402);(112.0398534,0.3115273105);(112.0762389,5.757115949);(114.0555035,0.3653762008);(129.0664025,0.3625444842);(129.102788,12.03573226);(130.0504181,1.052139579);(140.0711536,0.431416223);(147.0769672,0.3174119347);(157.0977027,0.8459544307);(158.0817182,0.4974056963);(175.1082673,0.9667128791) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (17.03912516,1.029380608);(18.03437413,0.5706721914);(27.0234751,6.690002115);(28.01872406,8.245796004);(29.03912516,2.555585572);(30.03437413,0.2548776127);(42.03437413,6.135837896);(43.01838972,0.2346433815);(44.01363868,0.3331508883);(44.05002419,45.30872637);(46.06567426,3.769228311);(54.03437413,0.5294276039);(56.05002419,12.63185565);(57.03403978,0.8743727729);(58.06567426,2.120965479);(60.08132432,0.1777170841);(72.04493881,0.4371676822);(76.03985343,0.1716396237);(84.04493881,0.5750454301);(85.0289544,0.2837034391);(86.06058888,2.147839411);(99.05583784,0.9304107547);(100.0762389,0.3175147797);(101.0714879,0.2786521271);(102.0555035,0.7370728188);(111.0922234,0.9667738619);(112.0762389,0.2202953777);(113.0714879,0.4925682275);(114.0555035,0.5158426337);(129.0664025,0.2732689053);(129.102788,0.1899653925) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (15.0234751,0.2142768428);(28.01872406,0.2737701496);(41.99798862,0.3086998802);(42.03437413,0.9348675071);(44.05002419,3.662686005);(70.02928875,0.8342816173);(72.0085533,0.5269302208);(72.04493881,0.5535036922);(74.02420337,1.172685859);(84.04493881,0.4346482374);(85.0289544,0.1920146721);(86.06058888,0.8073423176);(88.03985343,0.2498876197);(98.06058888,0.2471754073);(100.0762389,0.6974287454);(101.0714879,0.4734415018);(102.0555035,0.8381871214);(111.0922234,1.038767962);(112.0762389,0.9530130216);(114.0555035,0.2878973086);(127.0507525,0.9709040201);(127.087138,1.103662882);(128.0347681,1.518825004);(129.102788,6.015380445);(130.0504181,4.001209017);(132.0660682,1.377830769);(145.0613171,5.394184946);(155.0820526,6.72405973);(156.0660682,4.143239395);(157.0613171,0.239815551);(173.0926173,53.80938255) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (27.0234751,0.5576072783);(40.01872406,0.7176160932);(41.99798862,2.225015459);(42.03437413,1.92621509);(44.01363868,1.090284393);(44.05002419,12.99422558);(58.06567426,0.5510328028);(70.02928875,2.529289136);(72.0085533,2.810754032);(72.04493881,1.092731867);(74.02420337,2.827854078);(84.04493881,1.065817011);(86.06058888,1.644301527);(88.03985343,0.5017472587);(99.05583784,1.640013315);(100.0762389,1.126886949);(101.0714879,2.382337564);(102.0555035,2.236881369);(111.0922234,1.909066677);(112.0762389,1.983492867);(127.0507525,2.868028358);(127.087138,1.47658999);(128.0347681,4.514566085);(129.0664025,0.8137066606);(129.102788,5.188811778);(130.0504181,3.465867863);(143.0456671,1.531339215);(145.0613171,8.484457213);(155.0820526,5.971955471);(156.0660682,4.70478384);(173.0926173,17.16672318) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (27.0234751,2.139285259);(28.01872406,1.223636891);(40.01872406,1.823323412);(41.00273965,3.572456871);(41.99798862,13.65366102);(42.03437413,10.54273426);(43.01838972,0.8406464983);(44.01363868,3.375316093);(44.05002419,11.98368324);(44.99765427,2.284269524);(54.03437413,1.036238394);(56.01363868,1.03420573);(56.05002419,2.220553279);(58.02928875,3.30432435);(58.06567426,1.603675492);(70.02928875,2.65259169);(72.0085533,7.711577011);(72.04493881,1.877606316);(74.02420337,3.368107297);(82.02928875,1.175832336);(84.04493881,3.368316277);(86.02420337,0.9597144173);(86.06058888,2.065425138);(88.03985343,1.9101427);(99.05583784,3.273178855);(101.0714879,2.255690198);(102.0555035,1.445416817);(127.0507525,2.011219316);(128.0347681,2.038772573);(130.0504181,1.589690931);(145.0613171,1.658707818) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (112.0404,52.52);(112.0404,52.52);(128.03532,9.49);(128.03532,9.49);(138.05605,41.57);(138.05605,41.57);(155.0826,100.0);(155.0826,100.0);(173.09317,17.11) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.99854,28.5);(42.03492,14.86);(58.02984,8.77);(58.02984,8.77);(70.02984,17.75);(70.02984,17.75);(70.02984,17.75);(70.02984,17.75);(72.0091,24.12);(72.04549,20.37);(72.04549,20.37);(72.04549,20.37);(74.02475,17.03);(82.02984,9.76);(82.02984,9.76);(82.02984,9.76);(84.04549,23.54);(84.04549,23.54);(84.04549,23.54);(86.06114,27.34);(86.06114,27.34);(86.06114,27.34);(86.06114,27.34);(88.0404,10.44);(109.07712,9.4);(110.02475,14.64);(110.02475,14.64);(111.00877,11.88);(112.07679,18.74);(113.02442,10.41);(127.08769,17.8);(128.03532,44.02);(128.03532,44.02);(129.10334,24.23);(130.05097,15.28);(130.05097,15.28);(137.07204,31.94);(137.07204,31.94);(155.0826,95.39);(155.0826,95.39);(173.09317,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (40.01927,7.76);(41.00329,31.15);(41.99854,100.0);(42.03492,13.07);(44.01419,15.09);(44.05057,26.04);(44.9982,13.15);(58.02984,13.13);(58.02984,13.13);(64.01927,8.2);(68.05057,6.72);(70.02984,14.85);(70.02984,14.85);(70.02984,14.85);(70.02984,14.85);(72.04549,6.87);(72.04549,6.87);(72.04549,6.87);(84.04549,25.8);(84.04549,25.8);(84.04549,25.8);(86.06114,8.97);(86.06114,8.97);(86.06114,8.97);(86.06114,8.97);(99.05639,12.6);(101.07204,6.8);(127.0513,10.01);(127.0513,10.01);(127.08769,10.75) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (44.04948,12.59);(46.06513,29.45);(72.04439,7.12);(72.04439,7.12);(72.04439,7.12);(84.04439,21.97);(84.04439,21.97);(84.04439,21.97);(86.06004,9.62);(86.06004,9.62);(86.06004,9.62);(86.06004,9.62);(112.07569,14.13);(129.10224,36.47);(130.04987,24.52);(130.04987,24.52);(158.08117,34.9);(175.10772,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (44.04948,11.72);(46.06513,22.29);(56.04948,6.35);(56.04948,6.35);(84.04439,100.0);(84.04439,100.0);(84.04439,100.0);(86.06004,41.24);(86.06004,41.24);(86.06004,41.24);(86.06004,41.24);(101.07094,4.53);(112.0393,5.27);(112.0393,5.27);(112.07569,4.66);(114.05495,5.63);(114.05495,5.63);(129.10224,5.56);(130.04987,32.95);(130.04987,32.95);(157.09715,5.26);(157.09715,5.26);(175.10772,8.87) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (30.03383,10.51);(43.01784,11.09);(44.04948,15.38);(46.06513,56.23);(56.04948,100.0);(56.04948,100.0);(58.06513,38.55);(58.06513,38.55);(72.04439,25.1);(72.04439,25.1);(72.04439,25.1);(84.04439,95.55);(84.04439,95.55);(84.04439,95.55);(86.06004,35.54);(86.06004,35.54);(86.06004,35.54);(86.06004,35.54);(88.07569,10.24);(88.07569,10.24);(88.07569,10.24);(101.07094,10.39);(112.07569,58.56);(129.10224,12.11) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Black tea | Teas and herbal teas | Publications | Show | |
| Green bean | Vegetables, Other vegetables | Publications | Show |
Food Sources of its Food Phytochemical(s)
No food source information available of its precursor(s)
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