3,4-Dihydroxyphenylglycol
precursor
Showing entry for 3,4-Dihydroxyphenylglycol
Identification
- PhytoHub ID
- PHUB001669
- Name
- 3,4-Dihydroxyphenylglycol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 170.164
- Monoisotopic Mass
- 170.057908802
- Chemical Formula
- C8H10O4
- IUPAC Name
- 4-(1,2-dihydroxyethyl)benzene-1,2-diol
- InChI Key
- MTVWFVDWRVYDOR-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2
- SMILES
OCC(O)C1=CC(O)=C(O)C=C1
- Structure
Structure for 3,4-Dihydroxyphenylglycol
Calculated Properties
- Solubility (ALOGPS)
- 1.67e+01 g/l
- LogS (ALOGPS)
- -1.01
- LogP (ALOGPS)
- -0.72
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 2
- Polar Surface Area
- 80.92
- Refractivity
- 42.7982
- Polarizability
- 16.594794387356284
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.9774649407240963
- pKa (strongest acidic)
- 9.20999409215474
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Benzenediols
- Direct Parent Name
- Catechols
- Alternative Parent Names
- ["1,2-diols", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Aromatic alcohols", "Benzene and substituted derivatives", "Hydrocarbon derivatives", "Primary alcohols", "Secondary alcohols"]
- External Descriptor Annotations
- ["a catechol", "catechols", "tetrol"]
- Substituent Names
- ["1,2-diol", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Alcohol", "Aromatic alcohol", "Aromatic homomonocyclic compound", "Catechol", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Secondary alcohol"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.012);(71.0,0.017);(77.0,0.018);(78.0,0.006);(79.0,0.002);(82.0,0.003);(83.0,0.014);(84.0,0.009);(85.0,0.018);(86.0,0.006);(87.0,0.021);(88.0,0.026);(89.0,0.056);(90.0,0.012);(91.0,0.043);(92.0,0.007);(95.0,0.004);(96.0,0.003);(97.0,0.003);(98.0,0.002);(99.0,0.006);(101.0,0.013);(102.0,0.011);(103.0,0.246);(104.0,0.026);(105.0,0.055);(107.0,0.012);(109.0,0.009);(110.0,0.001);(111.0,0.004);(112.0,0.002);(113.0,0.006);(114.0,0.003);(115.0,0.061);(116.0,0.012);(117.0,0.102);(118.0,0.018);(119.0,0.062);(120.0,0.006);(121.0,0.011);(124.0,0.003);(125.0,0.003);(127.0,0.001);(128.0,0.014);(129.0,0.019);(130.0,0.004);(131.0,0.202);(132.0,0.029);(133.0,0.267);(134.0,0.025);(135.0,0.044);(136.0,0.012);(137.0,0.026);(140.0,0.001);(141.0,0.002);(142.0,0.001);(143.0,0.009);(144.0,0.005);(145.0,0.021);(146.0,0.005);(150.0,0.015);(151.0,0.012);(152.0,0.003);(153.0,0.004);(154.0,0.003);(155.0,0.002);(156.0,0.002);(159.0,0.012);(160.0,0.004);(161.0,0.038);(162.0,0.054);(163.0,0.037);(164.0,0.011);(165.0,0.03);(166.0,0.009);(167.0,0.006);(168.0,0.003);(169.0,0.001);(170.0,0.001);(171.0,0.002);(172.0,0.001);(173.0,0.006);(174.0,0.005);(175.0,0.022);(176.0,0.01);(177.0,0.1);(178.0,0.03);(179.0,0.207);(180.0,0.024);(181.0,0.023);(182.0,0.004);(185.0,0.002);(186.0,0.001);(187.0,0.004);(189.0,0.014);(190.0,0.013);(191.0,0.134);(192.0,0.133);(193.0,0.199);(194.0,0.03);(195.0,0.028);(196.0,0.005);(197.0,0.004);(198.0,0.003);(200.0,0.001);(201.0,0.004);(202.0,0.002);(203.0,0.008);(204.0,0.007);(205.0,0.047);(206.0,0.014);(207.0,0.204);(208.0,0.031);(209.0,0.036);(210.0,0.009);(211.0,0.004);(212.0,0.002);(213.0,0.001);(214.0,0.002);(215.0,0.002);(217.0,0.004);(218.0,0.002);(219.0,0.008);(221.0,0.032);(222.0,0.01);(223.0,0.037);(224.0,0.008);(225.0,0.007);(226.0,0.003);(227.0,0.001);(229.0,0.001);(232.0,0.002);(233.0,0.012);(234.0,0.007);(235.0,0.03);(236.0,0.01);(237.0,0.05);(238.0,0.013);(239.0,0.009);(241.0,0.004);(242.0,0.002);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.003);(248.0,0.003);(249.0,0.039);(250.0,0.021);(251.0,0.112);(252.0,0.028);(253.0,0.021);(254.0,0.006);(255.0,0.004);(256.0,0.002);(260.0,0.001);(261.0,0.005);(262.0,0.002);(263.0,0.018);(264.0,0.019);(265.0,0.174);(266.0,0.048);(267.0,0.169);(268.0,0.05);(269.0,0.017);(271.0,0.002);(277.0,0.003);(278.0,0.003);(279.0,0.022);(280.0,0.034);(281.0,0.343);(282.0,0.084);(283.0,0.041);(289.0,0.001);(292.0,0.001);(293.0,0.004);(295.0,0.005);(296.0,0.006);(297.0,0.004);(298.0,0.002);(301.0,0.002);(303.0,0.001);(304.0,0.001);(306.0,0.001);(307.0,0.001);(309.0,0.003);(310.0,0.002);(311.0,0.003);(312.0,0.003);(314.0,0.001);(315.0,0.002);(317.0,0.002);(318.0,0.003);(320.0,0.002);(321.0,0.002);(323.0,0.003);(325.0,0.007);(326.0,0.005);(327.0,0.003);(331.0,0.001);(335.0,0.002);(338.0,0.003);(339.0,0.014);(340.0,0.01);(341.0,0.006);(345.0,0.001);(346.0,0.001);(350.0,0.001);(353.0,0.022);(354.0,0.09);(355.0,1.0);(356.0,0.326);(357.0,0.161);(362.0,0.002);(364.0,0.001);(366.0,0.002);(367.0,0.006);(369.0,0.01);(370.0,0.006);(373.0,0.001);(374.0,0.001);(381.0,0.001);(383.0,0.002);(386.0,0.001);(392.0,0.0);(394.0,0.0);(395.0,0.001);(397.0,0.001);(401.0,0.0);(409.0,0.0);(412.0,0.0);(425.0,0.001);(429.0,0.002);(442.0,0.002);(443.0,0.019);(444.0,0.01);(445.0,0.005);(446.0,0.002);(456.0,0.003);(457.0,0.002);(458.0,0.027);(459.0,0.011);(460.0,0.005);(463.0,0.001);(468.0,0.0);(541.0,0.0) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (17.0,3.7);(18.0,18.3);(27.0,5.5);(28.0,0.24);(29.0,4.3);(31.0,4.3);(39.0,9.8);(40.0,0.18);(41.0,4.9);(42.0,1.2);(43.0,6.7);(50.0,0.12);(51.0,18.3);(52.0,3.7);(53.0,5.5);(54.0,0.24);(55.0,9.8);(56.0,1.2);(57.0,3.1);(58.0,0.12);(59.0,2.4);(60.0,1.2);(63.0,2.4);(64.0,0.18);(65.0,49.4);(66.0,6.7);(67.0,4.3);(68.0,0.18);(69.0,1.8);(76.0,2.4);(77.0,26.2);(78.0,0.67);(79.0,3.1);(81.0,4.9);(82.0,4.9);(83.0,0.31);(93.0,60.4);(94.0,8.5);(95.0,4.9);(96.0,0.18);(97.0,1.8);(105.0,7.3);(106.0,1.8);(107.0,0.24);(109.0,3.7);(110.0,4.9);(111.0,17.7);(112.0,0.18);(121.0,1.8);(122.0,2.4);(123.0,99.99);(124.0,0.92);(125.0,1.8);(135.0,6.7);(136.0,6.7);(137.0,0.55);(138.0,98.2);(139.0,6.7);(140.0,1.8);(149.0,0.18);(152.0,29.3);(153.0,5.5);(154.0,1.8);(170.0,1.77);(171.0,1.8);(71.0,2.4);(73.0,1.2) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.012);(71.0,0.017);(77.0,0.018);(78.0,0.006);(79.0,0.002);(82.0,0.003);(83.0,0.014);(84.0,0.009);(85.0,0.018);(86.0,0.006);(87.0,0.021);(88.0,0.026);(89.0,0.056);(90.0,0.012);(91.0,0.043);(92.0,0.007);(95.0,0.004);(96.0,0.003);(97.0,0.003);(98.0,0.002);(99.0,0.006);(101.0,0.013);(102.0,0.011);(103.0,0.246);(104.0,0.026);(105.0,0.055);(107.0,0.012);(109.0,0.009);(110.0,0.001);(111.0,0.004);(112.0,0.002);(113.0,0.006);(114.0,0.003);(115.0,0.061);(116.0,0.012);(117.0,0.102);(118.0,0.018);(119.0,0.062);(120.0,0.006);(121.0,0.011);(124.0,0.003);(125.0,0.003);(127.0,0.001);(128.0,0.014);(129.0,0.019);(130.0,0.004);(131.0,0.202);(132.0,0.029);(133.0,0.267);(134.0,0.025);(135.0,0.044);(136.0,0.012);(137.0,0.026);(140.0,0.001);(141.0,0.002);(142.0,0.001);(143.0,0.009);(144.0,0.005);(145.0,0.021);(146.0,0.005);(150.0,0.015);(151.0,0.012);(152.0,0.003);(153.0,0.004);(154.0,0.003);(155.0,0.002);(156.0,0.002);(159.0,0.012);(160.0,0.004);(161.0,0.038);(162.0,0.054);(163.0,0.037);(164.0,0.011);(165.0,0.03);(166.0,0.009);(167.0,0.006);(168.0,0.003);(169.0,0.001);(170.0,0.001);(171.0,0.002);(172.0,0.001);(173.0,0.006);(174.0,0.005);(175.0,0.022);(176.0,0.01);(177.0,0.1);(178.0,0.03);(179.0,0.207);(180.0,0.024);(181.0,0.023);(182.0,0.004);(185.0,0.002);(186.0,0.001);(187.0,0.004);(189.0,0.014);(190.0,0.013);(191.0,0.134);(192.0,0.133);(193.0,0.199);(194.0,0.03);(195.0,0.028);(196.0,0.005);(197.0,0.004);(198.0,0.003);(200.0,0.001);(201.0,0.004);(202.0,0.002);(203.0,0.008);(204.0,0.007);(205.0,0.047);(206.0,0.014);(207.0,0.204);(208.0,0.031);(209.0,0.036);(210.0,0.009);(211.0,0.004);(212.0,0.002);(213.0,0.001);(214.0,0.002);(215.0,0.002);(217.0,0.004);(218.0,0.002);(219.0,0.008);(221.0,0.032);(222.0,0.01);(223.0,0.037);(224.0,0.008);(225.0,0.007);(226.0,0.003);(227.0,0.001);(229.0,0.001);(232.0,0.002);(233.0,0.012);(234.0,0.007);(235.0,0.03);(236.0,0.01);(237.0,0.05);(238.0,0.013);(239.0,0.009);(241.0,0.004);(242.0,0.002);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.003);(248.0,0.003);(249.0,0.039);(250.0,0.021);(251.0,0.112);(252.0,0.028);(253.0,0.021);(254.0,0.006);(255.0,0.004);(256.0,0.002);(260.0,0.001);(261.0,0.005);(262.0,0.002);(263.0,0.018);(264.0,0.019);(265.0,0.174);(266.0,0.048);(267.0,0.169);(268.0,0.05);(269.0,0.017);(271.0,0.002);(277.0,0.003);(278.0,0.003);(279.0,0.022);(280.0,0.034);(281.0,0.343);(282.0,0.084);(283.0,0.041);(289.0,0.001);(292.0,0.001);(293.0,0.004);(295.0,0.005);(296.0,0.006);(297.0,0.004);(298.0,0.002);(301.0,0.002);(303.0,0.001);(304.0,0.001);(306.0,0.001);(307.0,0.001);(309.0,0.003);(310.0,0.002);(311.0,0.003);(312.0,0.003);(314.0,0.001);(315.0,0.002);(317.0,0.002);(318.0,0.003);(320.0,0.002);(321.0,0.002);(323.0,0.003);(325.0,0.007);(326.0,0.005);(327.0,0.003);(331.0,0.001);(335.0,0.002);(338.0,0.003);(339.0,0.014);(340.0,0.01);(341.0,0.006);(345.0,0.001);(346.0,0.001);(350.0,0.001);(353.0,0.022);(354.0,0.09);(355.0,1.0);(356.0,0.326);(357.0,0.161);(362.0,0.002);(364.0,0.001);(366.0,0.002);(367.0,0.006);(369.0,0.01);(370.0,0.006);(373.0,0.001);(374.0,0.001);(381.0,0.001);(383.0,0.002);(386.0,0.001);(392.0,0.0);(394.0,0.0);(395.0,0.001);(397.0,0.001);(401.0,0.0);(409.0,0.0);(412.0,0.0);(425.0,0.001);(429.0,0.002);(442.0,0.002);(443.0,0.019);(444.0,0.01);(445.0,0.005);(446.0,0.002);(456.0,0.003);(457.0,0.002);(458.0,0.027);(459.0,0.011);(460.0,0.005);(463.0,0.001);(468.0,0.0);(541.0,0.0) | |
| GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,0.600601);(86.0,0.1001);(87.0,1.401401);(88.0,1.101101);(89.0,3.803804);(90.0,0.700701);(91.0,3.203203);(92.0,0.4004);(93.0,0.4004);(95.0,0.4004);(96.0,0.1001);(97.0,0.2002);(99.0,0.4004);(101.0,0.900901);(102.0,0.800801);(103.0,19.91992);(104.0,2.502503);(105.0,4.504505);(106.0,0.500501);(107.0,0.600601);(108.0,0.1001);(109.0,0.4004);(110.0,0.1001);(111.0,0.2002);(113.0,0.500501);(114.0,0.1001);(115.0,4.104104);(116.0,0.900901);(117.0,5.705706);(118.0,1.201201);(119.0,3.903904);(120.0,0.500501);(121.0,0.800801);(122.0,0.1001);(123.0,0.2002);(125.0,0.1001);(127.0,0.2002);(128.0,0.500501);(129.0,1.101101);(130.0,0.2002);(131.0,12.112112);(132.0,1.901902);(133.0,13.813814);(134.0,1.901902);(135.0,2.902903);(136.0,0.800801);(137.0,1.301301);(138.0,0.2002);(141.0,0.1001);(143.0,0.500501);(144.0,0.1001);(145.0,1.001001);(146.0,0.2002);(147.0,69.86987);(148.0,10.810811);(149.0,7.607608);(150.0,1.001001);(151.0,0.900901);(152.0,0.1001);(153.0,0.1001);(157.0,0.1001);(159.0,0.4004);(160.0,0.3003);(161.0,1.801802);(162.0,2.602603);(163.0,2.002002);(164.0,0.500501);(165.0,1.601602);(166.0,0.4004);(167.0,0.2002);(171.0,0.1001);(173.0,0.2002);(174.0,0.1001);(175.0,1.001001);(176.0,0.3003);(177.0,4.604605);(178.0,1.001001);(179.0,10.710711);(180.0,1.701702);(181.0,1.001001);(182.0,0.1001);(183.0,0.1001);(187.0,0.1001);(189.0,0.700701);(190.0,0.4004);(191.0,6.406406);(192.0,5.805806);(193.0,10.510511);(194.0,1.901902);(195.0,1.401401);(196.0,0.2002);(197.0,0.1001);(203.0,0.3003);(204.0,0.2002);(205.0,2.102102);(206.0,0.700701);(207.0,9.009009);(208.0,1.701702);(209.0,1.701702);(210.0,0.3003);(211.0,0.2002);(217.0,0.1001);(219.0,0.4004);(220.0,0.1001);(221.0,1.501502);(222.0,0.500501);(223.0,1.501502);(224.0,0.3003);(225.0,0.3003);(231.0,0.1001);(233.0,0.500501);(234.0,0.2002);(235.0,1.301301);(236.0,0.4004);(237.0,2.002002);(238.0,0.500501);(239.0,0.4004);(240.0,0.1001);(247.0,0.2002);(248.0,0.1001);(249.0,2.202202);(250.0,0.800801);(251.0,4.304304);(252.0,1.001001);(253.0,1.001001);(254.0,0.2002);(255.0,0.1001);(261.0,0.1001);(263.0,0.700701);(264.0,0.600601);(265.0,7.607608);(266.0,2.002002);(267.0,8.208208);(268.0,2.002002);(269.0,0.800801);(270.0,0.1001);(277.0,0.1001);(278.0,0.1001);(279.0,1.001001);(280.0,1.301301);(281.0,15.615616);(282.0,4.304304);(283.0,1.901902);(284.0,0.3003);(293.0,0.1001);(295.0,0.2002);(296.0,0.3003);(297.0,0.1001);(311.0,0.1001);(312.0,0.1001);(325.0,0.3003);(326.0,0.2002);(327.0,0.1001);(339.0,0.600601);(340.0,0.4004);(341.0,0.2002);(352.0,0.1001);(353.0,1.301301);(354.0,9.009009);(355.0,100.0);(356.0,35.935936);(357.0,16.616617);(358.0,4.004004);(359.0,1.001001);(360.0,0.2002);(367.0,0.1001);(368.0,0.700701);(369.0,0.600601);(370.0,0.4004);(371.0,0.1001);(443.0,0.600601);(444.0,0.3003);(445.0,0.1001);(457.0,0.1001);(458.0,0.700701);(459.0,0.4004);(460.0,0.2002) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.196994058);(29.00219012,1.222857);(31.01783932,5.403659128);(43.01783932,1.501748928);(53.00219012,1.10123571);(80.99710422,0.8023083832);(85.02840262,0.9171629682);(95.01275342,1.51592713);(97.02840262,1.509119246);(108.020578,2.479602135);(109.0284026,8.070590414);(110.0362272,3.329072884);(111.0440518,4.161087025);(112.0518764,1.160720072);(114.0675256,0.7552895538);(120.020578,1.751540658);(121.0284026,5.105226188);(122.0362272,0.8964728776);(123.0440518,1.784891432);(125.059701,0.8831035047);(134.0362272,0.7778665746);(135.0440518,1.636376873);(137.0233167,1.325820673);(138.0311413,4.412114165);(139.0389659,7.068653874);(140.0467905,2.536811282);(141.0546151,1.71531437);(142.0624397,1.887194062);(152.0467905,3.62368394);(153.0546151,3.250841218);(170.0573538,1.20820592) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (71.03115062,0.8371288531);(73.04679982,4.666902266);(75.02606472,4.821224351);(75.06244902,0.9141260891);(89.04171392,2.099218754);(91.05736312,1.132278155);(103.0573631,2.465032533);(267.1230994,1.868254439);(355.1575373,14.53421313);(356.1592277,4.894845762);(356.1653619,1.21980483);(357.1568824,2.308317705);(357.1731865,1.097971461);(368.1653619,1.154184651);(369.1731865,5.121538299);(370.1749343,1.783703177);(371.1726692,0.8332431099);(385.1681006,2.322969528);(386.1698511,0.8099028413);(386.1759252,2.040524057);(387.1837498,1.238460373);(443.1919752,13.04983822);(444.1935589,5.514496805);(445.1914851,2.943716809);(446.1921171,0.8291931537) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (27.02292522,1.196994058);(29.00219012,1.222857);(31.01783932,5.403659128);(43.01783932,1.501748928);(53.00219012,1.10123571);(80.99710422,0.8023083832);(85.02840262,0.9171629682);(95.01275342,1.51592713);(97.02840262,1.509119246);(108.020578,2.479602135);(109.0284026,8.070590414);(110.0362272,3.329072884);(111.0440518,4.161087025);(112.0518764,1.160720072);(114.0675256,0.7552895538);(120.020578,1.751540658);(121.0284026,5.105226188);(122.0362272,0.8964728776);(123.0440518,1.784891432);(125.059701,0.8831035047);(134.0362272,0.7778665746);(135.0440518,1.636376873);(137.0233167,1.325820673);(138.0311413,4.412114165);(139.0389659,7.068653874);(140.0467905,2.536811282);(141.0546151,1.71531437);(142.0624397,1.887194062);(152.0467905,3.62368394);(153.0546151,3.250841218);(170.0573538,1.20820592) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,1.232607452);(59.03115062,0.9084234438);(71.03115062,1.204756246);(73.01041552,1.215155334);(73.04679982,6.723933979);(74.05462442,0.8670848557);(75.02606472,3.044812673);(75.06244902,1.315567026);(88.03388932,0.6839077598);(89.04171392,4.967704797);(90.04953852,1.85003112);(91.05736312,2.192634481);(103.0573631,6.010465808);(108.020578,1.387719068);(109.0284026,3.462185795);(110.0362272,1.986417525);(111.0440518,1.503538197);(112.0518764,0.7823013476);(121.0284026,2.15463868);(123.0440518,0.9648669686);(138.0311413,1.887762791);(139.0389659,18.00962172);(140.0423715,1.450355984);(140.0467905,1.660766512);(152.0467905,0.7631440748);(153.0546151,1.80048067);(169.0495292,0.9979518218);(209.0628405,1.553448751);(224.0863143,1.385487116);(225.0941389,1.533898736);(227.0734038,1.954720763) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,1.406510096);(59.03115062,1.089548926);(71.03115062,1.308695526);(73.04679982,7.306226141);(74.05462442,0.9451499361);(75.02606472,1.741528542);(75.06244902,1.429066408);(89.04171392,3.164250107);(109.0284026,2.890259338);(110.0362272,0.7926326203);(121.0284026,1.975767434);(123.0440518,0.786147425);(139.0389659,1.880230893);(153.0546151,5.195884291);(169.0495292,1.084049233);(169.0679264,1.123568692);(181.0679264,1.246580101);(183.0835756,2.304242997);(195.0471913,2.299930943);(197.0628405,3.047885695);(199.0784897,0.9937263951);(209.0628405,1.178108693);(210.0706651,0.8866797863);(211.0784897,8.433207474);(212.080735,1.399478118);(212.0863143,1.977224368);(213.0941389,2.017319543);(214.1019635,0.9990074382);(224.0863143,1.02469762);(225.0941389,0.8998605251);(227.0734038,2.490683513) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,3.80182005);(43.01783932,0.9732706042);(61.02840262,1.260898295);(73.04679982,5.075319921);(97.02840262,0.8288188616);(109.0284026,0.8634840463);(139.0389659,2.265416227);(153.0546151,1.127912728);(165.036628,0.9803084597);(167.0522772,2.895644784);(169.0495292,1.764578321);(169.0679264,1.019164377);(171.0651784,0.7879195817);(181.0679264,1.576886902);(182.075751,0.8545500402);(183.0835756,1.431932178);(192.0601018,0.8094062342);(193.0679264,2.917066134);(195.0471913,3.439101671);(195.0835756,0.746461668);(197.0628405,2.101732626);(199.0784897,1.214500242);(209.0628405,2.918300156);(210.0706651,2.200942509);(211.0784897,4.364236347);(212.0863143,1.499135619);(213.0941389,1.234392734);(214.1019635,0.8096037549);(224.0863143,2.207054907);(225.0941389,2.897647598);(227.0734038,2.066061698) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.312683852);(31.01783932,3.800311075);(43.01783932,1.391079932);(61.02840262,1.254033739);(73.04679982,5.098179603);(97.02840262,0.891125393);(109.0284026,0.8756533104);(138.0311413,0.7735170675);(139.0389659,2.306755595);(153.0546151,1.267914549);(165.036628,1.208581043);(167.0522772,2.122318718);(169.0495292,1.763846896);(169.0679264,0.7766709118);(171.0651784,0.7914557135);(181.0679264,1.593959499);(182.075751,0.8586692188);(183.0835756,1.458931143);(195.0471913,3.656713057);(195.0835756,0.901948758);(197.0628405,2.20592015);(199.0784897,1.196963529);(209.0628405,3.69421022);(210.0706651,2.411683876);(211.0784897,4.45264648);(212.0863143,1.506287619);(213.0941389,1.239932608);(214.1019635,0.8134054281);(224.0863143,2.888778192);(225.0941389,3.18370248);(227.0734038,2.086138447) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.03115062,1.804942752);(71.03115062,1.191220052);(73.04679982,8.51617132);(74.05462442,0.8569510693);(75.02606472,3.756363367);(75.06244902,1.300785802);(89.04171392,4.703943184);(90.04953852,0.919722691);(91.05736312,1.611212464);(103.0573631,4.268956669);(109.0284026,2.318835315);(110.0362272,0.8206077965);(123.0440518,0.9236968534);(195.0471913,1.184834591);(197.0628405,1.481993762);(211.0784897,22.59308231);(212.080735,3.749288087);(213.0780754,1.165690471);(224.0863143,1.293992152);(225.0941389,4.279073716);(226.096461,0.7592893675);(227.0734038,0.7912107543);(241.089053,1.76692208);(242.0968776,1.150532099);(243.1047022,1.064726461);(299.1129276,4.69361171);(300.1148046,1.181568009) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,0.8938695003);(71.03115062,1.023579116);(73.01041552,0.7773334044);(73.04679982,7.32848234);(75.02606472,2.605997847);(75.06244902,1.117725629);(89.04171392,3.903575606);(90.04953852,1.554293639);(91.05736312,1.862895395);(103.0573631,4.366740284);(165.036628,1.118355839);(167.0522772,2.143937884);(169.0679264,0.9721863538);(181.0679264,1.938316793);(183.0835756,0.7990491857);(195.0471913,2.504462794);(197.0628405,1.384298066);(210.0706651,1.150374315);(211.0784897,13.58093528);(212.080735,2.253735819);(212.0863143,0.9241315605);(225.0941389,1.243865948);(241.089053,1.774283009);(242.0968776,0.9280454233);(243.1047022,0.9483047615);(271.1180135,0.9209753241);(281.1023643,2.376444);(297.1336627,3.09533435);(298.1356044,0.8136354829);(299.1129276,3.463784437);(300.1148046,0.8719717636) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,0.8884317391);(59.03115062,0.7722118954);(71.03115062,1.016926215);(73.01041552,0.7726045782);(73.04679982,7.281408376);(75.02606472,2.590144533);(75.06244902,1.110460809);(89.04171392,3.878383787);(90.04953852,1.543537531);(91.05736312,1.850787236);(103.0573631,4.337424902);(165.036628,1.150949802);(167.0522772,2.522636373);(181.0679264,1.925950437);(183.0835756,0.7939924005);(193.0679264,1.309569755);(195.0471913,2.578655117);(197.0628405,1.414840256);(210.0706651,1.142413431);(211.0784897,13.49314685);(212.080735,2.23916746);(212.0863143,0.9177935568);(225.0941389,1.235781261);(241.089053,1.762750799);(242.0968776,0.9217303696);(243.1047022,0.9421411172);(271.1180135,0.8107138855);(281.1023643,2.402367422);(297.1336627,1.926987292);(299.1129276,3.41548069);(300.1148046,0.8598117971) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.195802234);(31.01783932,1.010745702);(59.03115062,1.166871694);(73.04679982,8.266414164);(75.02606472,1.989718163);(89.04171392,1.575640944);(133.0679264,0.8783749936);(153.0546151,0.8174423184);(181.0679264,1.52465908);(195.0835756,0.9922416671);(209.0628405,1.095816155);(211.0784897,4.708350494);(212.080735,0.7813436951);(224.0863143,0.9101592763);(225.0941389,2.108329306);(241.089053,2.26056047);(243.1047022,1.160568324);(255.1230994,1.433948316);(267.0867151,3.152665225);(269.1023643,4.825009602);(270.1041632,1.157378676);(271.1180135,1.007619718);(281.1023643,0.8760042863);(283.1180135,6.456691271);(284.119887,1.622984344);(284.1258381,1.355171458);(285.1336627,1.746659588);(286.1414873,0.8743712394);(296.1258381,1.166222549);(299.1129276,4.375091301);(300.1148046,1.101383804) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,1.012211329);(59.03115062,1.168438852);(73.04679982,7.991747011);(75.02606472,1.992390438);(89.04171392,1.462740008);(133.0679264,0.8796007483);(167.0522772,1.541004867);(169.0679264,0.9463858053);(181.0679264,1.43956069);(193.0679264,0.8606498687);(195.0835756,0.9935742892);(209.0628405,0.9954946286);(211.0784897,4.282735212);(224.0863143,0.9114790482);(225.0941389,2.111568879);(241.089053,2.263838384);(243.1047022,1.1622512);(255.1230994,1.22373332);(267.0867151,3.07536248);(269.1023643,4.831489792);(270.1041632,1.158933084);(271.1180135,1.008972994);(281.1023643,0.8771807967);(283.1180135,5.815608617);(284.119887,1.461838787);(284.1258381,1.357362497);(285.1336627,1.749192323);(286.1414873,0.8756391171);(296.1258381,1.167913624);(299.1129276,4.382684141);(300.1148046,1.103295222) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,0.7342895168);(27.02292522,0.8781153698);(31.01783932,3.893899259);(43.01783932,1.251802526);(61.02840262,0.7889604007);(73.04679982,4.010785873);(115.0573631,0.914259547);(169.0679264,0.7353262544);(181.0679264,0.8946645079);(211.0784897,3.553090294);(213.0941389,0.9203586499);(225.0941389,1.221207314);(229.1074502,0.7876565976);(239.091801,1.533069918);(241.089053,1.79206335);(243.1047022,0.8898500789);(253.1074502,1.041733939);(254.1152748,0.8887002029);(267.0867151,5.420136169);(267.1230994,1.048812979);(268.0885084,1.298505847);(269.1023643,2.987593225);(270.1041632,0.7166362297);(281.1023643,3.573590835);(282.1042326,0.8972023944);(282.1101889,1.478278046);(283.1180135,2.668885542);(284.1258381,0.6999534834);(296.1258381,1.991432001);(297.1336627,2.520481942);(299.1129276,2.621677145) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.03115062,1.727141982);(71.03115062,1.024617372);(73.04679982,8.487402079);(75.02606472,3.610450491);(75.06244902,1.118859382);(89.04171392,2.569372677);(90.04953852,0.7829639276);(91.05736312,1.385870124);(103.0573631,1.880449921);(167.0522772,1.111978544);(195.0835756,1.172383805);(225.0941389,0.767955505);(267.0867151,1.380878779);(269.1023643,1.710184768);(269.1387486,0.7831612582);(282.1101889,0.809330491);(283.1180135,17.60172249);(284.119887,4.424451911);(284.1258381,1.024516038);(285.1173135,1.787619258);(296.1258381,1.141106998);(297.1336627,3.889071368);(298.1356044,1.022276143);(313.1285768,2.252778977);(314.1364014,1.869541051);(315.144226,1.250016724);(343.1575373,1.770726885);(370.1446268,0.7549851468);(371.1524514,6.701628479);(372.1541446,2.259493111);(373.1518638,1.078873485) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.03115062,1.78523922);(71.03115062,1.02386067);(73.04679982,8.736257671);(74.04796012,0.7475286887);(75.02606472,3.727833045);(75.06244902,1.11803308);(89.04171392,2.56747514);(90.04953852,0.7823480566);(91.05736312,1.384846629);(103.0573631,1.879024899);(167.0522772,1.111210227);(195.0835756,1.133889379);(267.0867151,1.427843838);(269.1023643,1.768349851);(269.1387486,0.7574466896);(282.1101889,0.808732783);(283.1180135,17.58881748);(284.119887,4.421208046);(284.1258381,1.023759411);(285.1173135,1.786308633);(296.1258381,1.140264266);(297.1336627,3.808644245);(298.1356044,1.001135176);(313.1285768,2.251115251);(314.1364014,1.868160355);(315.144226,1.24909356);(343.1575373,1.814460334);(370.1446268,0.754427574);(371.1524514,6.834402257);(372.1541446,2.304258564);(373.1518638,1.100248306) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,0.841632206);(71.03115062,0.7637357747);(73.04679982,4.256735016);(75.02606472,2.238679188);(75.06244902,0.8339824798);(89.04171392,3.305447503);(90.04953852,1.139932367);(91.05736312,1.389985235);(103.0573631,3.957511783);(239.091801,2.226350962);(253.1074502,0.8121809555);(254.1152748,0.8326667283);(267.0867151,4.228524596);(268.0885084,1.013030622);(283.1180135,12.64046183);(284.119887,3.177366052);(284.1258381,1.663765203);(285.1173135,1.283756917);(285.1336627,1.171166924);(296.1258381,0.6724772478);(297.1336627,1.026361245);(313.1285768,1.865560394);(314.1364014,1.753078526);(315.144226,0.9596517802);(353.1418881,1.87317432);(368.1653619,1.838389288);(369.1731865,2.959244744);(370.1749343,1.030630632);(371.1524514,4.162460842);(372.1541446,1.403397939);(373.1518638,0.6701011029) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.085497226);(31.01783932,0.8874125969);(73.04679982,4.28134175);(75.02606472,1.414775246);(115.0573631,1.108157246);(127.0573631,0.9542477745);(153.0730123,0.8849092187);(227.091801,0.9671471361);(241.1074502,1.492962133);(253.1074502,1.337367213);(267.1230994,1.188475472);(283.1180135,5.589437543);(284.119887,1.40498736);(296.1258381,0.9493279932);(297.1336627,2.405030715);(299.1129276,1.674383345);(313.1285768,2.324154721);(314.1364014,0.9722700148);(315.144226,1.15285365);(339.1262389,3.502906175);(340.1278634,1.138398687);(341.1418881,6.047661962);(342.1435169,1.967225602);(343.1410952,0.9378555017);(354.1497127,1.293126524);(355.1575373,4.750649919);(356.1592277,1.59992828);(357.1731865,1.063666852);(371.1524514,6.171980032);(372.1541446,2.080919049);(373.1518638,0.9936070953) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,0.8887190309);(57.06987282,1.529679931);(59.03115062,1.647464704);(73.01041552,1.860990289);(75.02606472,5.92618446);(77.04171392,1.586444321);(87.02606472,0.8391170977);(89.04171392,4.201102017);(108.020578,0.8703351338);(109.0284026,2.257030897);(110.0362272,1.245820572);(111.0440518,1.455565359);(117.036628,0.8356271288);(121.0284026,0.9032239905);(131.0886615,1.378156886);(138.0311413,1.291475538);(139.0389659,13.7669469);(140.0423715,1.108683687);(140.0467905,1.660698425);(141.0546151,1.866495265);(145.1043107,1.465908317);(153.0546151,2.445398858);(169.0495292,1.398438689);(171.0651784,0.9299685982);(209.0628405,2.150638588);(211.0784897,1.545282691);(226.0655792,1.07913503);(227.0734038,3.069250376);(229.089053,0.8501733927);(267.1410865,0.8316108858);(269.1203514,1.606175875) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,1.082178438);(55.05422362,0.7548375697);(57.06987282,1.580310752);(59.03115062,1.792564183);(73.01041552,1.17518717);(75.02606472,4.710799119);(77.04171392,1.258454419);(109.0284026,1.805332658);(115.0937474,0.8174026471);(121.0284026,1.339022043);(131.0886615,1.173757113);(139.0389659,1.862790202);(153.0546151,7.316930432);(154.0580239,0.6733496424);(155.0702643,0.7384766311);(169.0495292,1.505958237);(171.0651784,1.19054744);(195.0471913,4.138595433);(196.0493403,0.637983076);(197.0628405,10.0832232);(198.0649975,1.557399569);(199.0784897,3.178594906);(209.0628405,1.534258996);(213.0577546,0.7082364361);(225.1305232,0.9200728124);(227.0734038,3.550102818);(228.0812284,0.6686349115);(229.089053,0.9322794933);(253.1254373,3.289303674);(254.1278867,0.6592763969);(269.1203514,1.629636256) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,2.790433591);(55.05422362,0.7501584623);(57.06987282,1.57051468);(59.03115062,0.8717480672);(61.02840262,1.064823914);(137.0233167,0.7753262121);(139.0389659,2.585664621);(153.0546151,1.337881557);(165.036628,1.102169248);(167.0522772,2.719802726);(169.0495292,2.485837793);(169.0679264,1.472096398);(171.0651784,1.959909943);(195.0471913,5.154188112);(196.0493403,0.7945412493);(197.0628405,7.708018315);(198.0649975,1.190538399);(199.0784897,2.026224547);(209.0628405,3.566380006);(209.0992248,0.8609391234);(211.0784897,1.506111142);(213.0577546,0.800922273);(225.1305232,0.8315535369);(227.0734038,2.852550598);(229.089053,1.007732269);(235.114874,1.050345452);(237.0941389,0.9217299012);(253.1254373,2.239684183);(255.1410865,0.7489910581);(267.1410865,1.508172829);(269.1203514,1.681777594) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.00246701);(31.01783932,2.790933503);(55.05422362,0.7496730365);(57.06987282,1.569498403);(59.03115062,0.8721551914);(61.02840262,1.065683859);(99.04405182,0.7896445486);(137.0233167,0.7662569397);(139.0389659,2.541804726);(153.0546151,1.428106368);(165.036628,1.103031616);(167.0522772,2.722039407);(169.0495292,2.486313611);(169.0679264,1.472484514);(171.0651784,1.960128597);(195.0471913,5.030624942);(196.0493403,0.7754934317);(197.0628405,7.611936217);(198.0649975,1.175698083);(199.0784897,2.027771534);(209.0628405,3.645514637);(211.0784897,2.315061218);(213.0577546,0.800435833);(225.1305232,0.8161199964);(227.0734038,2.854746102);(229.089053,1.007019474);(237.0941389,0.9045025414);(253.1254373,2.192067245);(255.1410865,0.7485116757);(267.1410865,1.191777252);(269.1203514,1.780565252) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,1.164763304);(57.06987282,1.989919172);(59.03115062,1.148907638);(73.01041552,0.9701834448);(75.02606472,3.38276861);(89.04171392,0.9582680096);(109.0284026,1.209379221);(115.0937474,1.721246228);(131.0886615,3.743727923);(133.1043107,1.640681203);(195.0471913,0.9067688919);(197.0628405,1.849954195);(209.0628405,2.427208592);(211.0784897,2.579216959);(227.0734038,2.236158651);(253.1254373,10.82862393);(254.1278867,2.170385248);(255.1410865,1.062701589);(267.1410865,2.831063668);(283.0816292,2.222567211);(283.1360006,1.514213872);(285.0972784,7.209086852);(285.1516498,0.9979108237);(286.0990811,1.731951787);(287.1129276,1.924395966);(313.1649611,1.063065011);(327.144226,1.848310577);(341.1598752,3.778403033);(342.1619395,1.081460187);(343.1755244,1.220582783);(383.2068228,1.868671961) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,1.053518612);(57.06987282,2.012575883);(73.01041552,1.194714707);(75.02606472,2.922038174);(89.04171392,2.444478872);(115.0937474,1.594750445);(131.0886615,3.516351265);(133.1043107,1.395056312);(145.1043107,0.9532119966);(167.0522772,1.780789998);(195.0471913,2.065884725);(197.0628405,1.683012292);(209.0628405,1.094942704);(223.114874,1.293512049);(227.0734038,2.347501477);(253.1254373,7.35462725);(254.1278867,1.47409076);(255.1410865,1.252788711);(267.1410865,1.55607925);(283.0816292,1.993409334);(283.1360006,1.627806556);(285.0972784,6.810019059);(286.0990811,1.636077484);(287.1129276,1.912355558);(323.1493119,1.824466789);(325.1649611,1.13568795);(327.144226,2.043884468);(341.1598752,3.239695431);(342.1619395,0.9272704887);(343.1755244,1.208834471);(383.2068228,1.900723183) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (55.05422362,1.032934554);(57.06987282,1.983412897);(73.01041552,1.168604558);(75.02606472,2.855927396);(89.04171392,2.412266041);(115.0937474,1.571327909);(131.0886615,3.470408572);(133.1043107,1.364356861);(145.1043107,0.948561532);(167.0522772,1.888203267);(195.0471913,2.011439805);(197.0628405,1.655896195);(209.0628405,0.9184724818);(223.114874,1.450899822);(227.0734038,2.292862016);(253.1254373,7.282669873);(254.1278867,1.459668316);(255.1410865,1.2303506);(267.1410865,1.536556586);(283.0816292,1.95123934);(283.1360006,1.614791779);(285.0972784,6.638111344);(286.0990811,1.594777403);(287.1129276,1.904063739);(323.1493119,1.783775499);(325.1649611,1.130763699);(327.144226,2.03502235);(341.1598752,3.141121463);(342.1619395,0.8990564996);(343.1755244,1.203027411);(383.2068228,1.891863641) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.019776766);(31.01783932,0.995777693);(55.05422362,1.350991295);(57.06987282,2.236547196);(75.02606472,2.098027641);(115.0937474,1.543643409);(131.0886615,1.223859835);(209.0628405,1.30627803);(211.0784897,1.278100758);(227.0734038,2.615871405);(253.1254373,2.127745708);(267.1410865,1.144070497);(283.0816292,1.720076371);(283.1360006,2.392262953);(285.0972784,6.495984507);(285.1516498,1.384477944);(286.0990811,1.560632048);(287.1129276,2.319757254);(309.1336627,3.244552829);(310.1356621,0.8891781084);(311.1493119,9.175372379);(312.151316,2.517287596);(313.1489447,0.9861374856);(313.1649611,1.336495601);(323.1493119,1.14342057);(327.144226,2.121312599);(341.1598752,3.557201218);(342.1619395,1.018147472);(343.1755244,1.448562524);(367.2119087,1.48427629);(383.2068228,1.978357821) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,1.014345666);(55.05422362,1.373219259);(57.06987282,2.265882097);(75.02606472,2.170106259);(115.0937474,1.567817498);(131.0886615,1.251380869);(133.1043107,1.096514268);(209.0628405,1.327018075);(211.0784897,1.280666855);(227.0734038,2.679338633);(253.1254373,2.160622267);(267.1410865,1.149249773);(283.0816292,1.754929052);(283.1360006,2.406189145);(285.0972784,6.642371715);(285.1516498,1.3936689);(286.0990811,1.595800938);(287.1129276,2.32441473);(309.1336627,3.305637279);(310.1356621,0.9059184604);(311.1493119,9.349577173);(312.151316,2.56508114);(313.1489447,1.004860418);(313.1649611,1.379533952);(323.1493119,1.166963759);(327.144226,2.125571649);(341.1598752,3.641645745);(342.1619395,1.042317311);(343.1755244,1.451754807);(367.2119087,1.510287519);(383.2068228,1.982640155) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.084439699);(31.01783932,2.619217499);(57.06987282,0.9524015829);(59.01275342,0.8136641476);(61.02840262,1.311990048);(115.0937474,1.526450271);(157.1043107,1.009514599);(227.0734038,2.524711806);(253.1254373,2.456276244);(255.1410865,1.192829655);(267.1410865,0.8432405217);(281.1387486,1.670414296);(283.0816292,1.657449193);(283.1360006,2.298284677);(285.0972784,4.86994659);(285.1516498,1.302728371);(286.0990811,1.169983505);(287.1129276,2.050441967);(309.1336627,4.960795957);(310.1356621,1.359518984);(311.1493119,6.80847914);(312.151316,1.867924197);(323.1493119,3.2034179);(324.151369,0.9147249371);(325.1649611,1.557331907);(341.1598752,2.486943544);(343.1755244,1.265906197);(367.2119087,1.181086685);(381.2275579,0.8828566076);(383.2068228,3.525322448);(384.2090341,1.130582846) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.06987282,1.738934484);(59.03115062,1.062883652);(75.02606472,2.763764523);(131.0886615,3.1644491);(133.1043107,1.292057082);(311.1493119,1.395506829);(323.1493119,1.92223622);(325.1649611,2.332578325);(341.1598752,2.821697851);(342.1619395,0.807630594);(367.2119087,6.785434672);(368.2141177,2.173567991);(369.2121955,0.8203342793);(381.2275579,1.747196353);(397.1681006,2.165602058);(397.222472,1.37204795);(398.169901,0.7792782749);(398.2302966,1.185657308);(399.1837498,12.08905733);(399.2381212,0.8638184004);(400.185554,4.353798477);(401.1834306,2.041553462);(401.199399,2.775719699);(402.2012069,1.000490951);(427.2514325,0.8375697519);(454.238522,1.263596836);(455.2463466,3.352156345);(456.248335,1.361376393);(457.2619958,0.8798634815);(497.2932942,3.841430704);(498.2953956,1.692540072) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.06987282,1.748982092);(59.03115062,1.074824678);(75.02606472,2.80049838);(131.0886615,2.917758563);(133.1043107,1.300414294);(311.1493119,1.396247287);(323.1493119,1.962078372);(325.1649611,2.447389175);(341.1598752,2.854771444);(342.1619395,0.8170969674);(367.2119087,6.83421591);(368.2141177,2.189194011);(369.2121955,0.8262317529);(381.2275579,1.790815357);(397.1681006,2.190207131);(397.222472,1.374091438);(398.169901,0.7881322556);(398.2302966,1.187423192);(399.1837498,12.19773484);(399.2381212,0.8651049462);(400.185554,4.392938003);(401.1834306,2.059906501);(401.199399,2.779736324);(402.2012069,1.001938718);(427.2514325,0.847086027);(454.238522,1.2654788);(455.2463466,3.383664642);(456.248335,1.37417253);(457.2619958,0.8812854743);(497.2932942,3.847152018);(498.2953956,1.695060891) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.06987282,0.9100255355);(75.02606472,3.591618742);(89.04171392,1.73838695);(145.1043107,0.7296425368);(157.1043107,0.7485479755);(281.1387486,1.278218037);(309.1336627,2.484317968);(311.1493119,1.755912182);(341.1598752,2.489233763);(367.2119087,5.952924538);(368.2141177,1.906891283);(369.2121955,0.7196868435);(369.2275579,1.126621136);(381.2275579,1.128591484);(397.1681006,1.723431734);(397.222472,1.438098905);(398.2302966,1.411076259);(399.1837498,10.20044389);(399.2381212,0.8522485144);(400.185554,3.673626144);(401.1834306,1.722611695);(437.2357833,1.875400107);(438.2377665,0.7603709423);(439.2514325,1.093720526);(454.238522,1.169165697);(455.2463466,2.717408109);(456.248335,1.103592694);(457.2619958,3.253353533);(458.2639874,1.322226787);(497.2932942,3.554352844);(498.2953956,1.56605314) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (31.01783932,1.290155139);(57.06987282,0.9428225064);(75.02606472,1.999949197);(131.0886615,1.263460058);(175.114874,0.8506429293);(323.1493119,1.353098319);(325.1649611,1.630066272);(341.1598752,3.570847434);(342.1619395,1.022053312);(367.2119087,1.815988338);(369.2275579,0.9451870399);(397.1681006,1.866242654);(397.222472,2.149386629);(398.2302966,1.022217716);(399.1837498,10.32162558);(399.2381212,1.202958395);(400.185554,3.717268973);(401.1834306,1.743076392);(423.2201341,2.186116625);(424.222075,0.861222152);(425.2357833,7.900900121);(426.2377275,3.114935676);(427.2358075,1.418309055);(454.238522,1.21130198);(455.2463466,2.934884458);(456.248335,1.191914101);(457.2619958,3.370603146);(458.2639874,1.369879333);(481.2983801,0.9932778053);(497.2932942,3.682450355);(498.2953956,1.622493094) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (57.06987282,0.7718690915);(75.02606472,1.888284946);(131.0886615,2.596123002);(437.2357833,0.9145986599);(439.2514325,2.635350535);(440.2534188,1.069279502);(455.2463466,3.658758659);(456.248335,1.485893602);(481.2983801,4.842192214);(482.3004797,2.131661724);(483.2989211,0.9609066121);(483.3140293,0.8099402864);(495.3140293,1.22768322);(511.254572,2.616090826);(511.3089434,1.32944298);(512.2563741,1.25504814);(512.316768,1.241476729);(513.2702212,14.4408083);(513.3245926,0.8036133862);(514.2720261,6.932192359);(515.2703027,3.627503861);(516.2708972,1.113178591);(568.3249934,1.140913838);(569.332818,2.644582936);(570.3347651,1.39109743);(571.3484672,3.174748295);(572.3504168,1.670926359);(573.3489884,0.8706191341);(611.3797656,3.469244288);(612.381804,1.944509979);(613.3805926,1.015167483) | |
| LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (58.717,15.556);(59.895,10.556);(60.777,8.333);(69.884,20.185);(75.183,7.407);(90.526,13.704);(124.68,11.296);(126.608,8.333);(127.693,13.704);(129.504,60.741);(138.917,8.704);(139.909,13.519);(142.359,6.852);(147.8,7.037);(152.483,11.296);(154.326,43.333);(169.61,7.593);(170.812,100.0);(171.772,34.444) | |
| LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (56.75,22.467);(57.819,21.586);(60.777,18.062);(69.634,33.04);(70.945,37.445);(72.943,22.907);(81.567,27.753);(86.343,83.26);(89.129,100.0);(92.134,16.3);(92.938,28.194);(95.81,19.383);(97.012,30.837);(98.534,24.229);(100.43,21.586);(110.459,35.242);(127.475,21.586);(129.957,40.529);(131.463,14.097);(140.205,15.419);(152.351,14.537);(186.714,13.656) | |
| LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (54.924,63.889);(55.751,100.0);(56.563,94.444);(61.097,76.389);(61.698,66.667);(66.169,83.333);(76.705,52.778);(79.475,88.889);(88.645,50.0);(90.308,62.5);(140.494,51.389);(148.807,55.556);(176.448,48.611);(178.181,44.444) | |
| LC-MS/MS | EI-B (HITACHI M-52) | Positive | Not Available | View Spectrum | (17.0,0.037037037);(18.0,0.1831831832);(27.0,0.0550550551);(28.0,0.002002002);(29.0,0.043043043);(31.0,0.043043043);(39.0,0.0980980981);(40.0,0.002002002);(41.0,0.049049049);(42.0,0.012012012);(43.0,0.0670670671);(50.0,0.001001001);(51.0,0.1831831832);(52.0,0.037037037);(53.0,0.0550550551);(54.0,0.002002002);(55.0,0.0980980981);(56.0,0.012012012);(57.0,0.031031031);(58.0,0.001001001);(59.0,0.024024024);(60.0,0.012012012);(63.0,0.024024024);(64.0,0.002002002);(65.0,0.4944944945);(66.0,0.0670670671);(67.0,0.043043043);(68.0,0.002002002);(69.0,0.018018018);(71.0,0.024024024);(73.0,0.012012012);(76.0,0.024024024);(77.0,0.2622622623);(78.0,0.007007007);(79.0,0.031031031);(81.0,0.049049049);(82.0,0.049049049);(83.0,0.003003003);(93.0,0.6046046046);(94.0,0.0850850851);(95.0,0.049049049);(96.0,0.002002002);(97.0,0.018018018);(105.0,0.0730730731);(106.0,0.018018018);(107.0,0.002002002);(109.0,0.037037037);(110.0,0.049049049);(111.0,0.1771771772);(112.0,0.002002002);(121.0,0.018018018);(122.0,0.024024024);(123.0,1.0);(124.0,0.009009009);(125.0,0.018018018);(135.0,0.0670670671);(136.0,0.0670670671);(137.0,0.006006006);(138.0,0.982982983);(139.0,0.0670670671);(140.0,0.018018018);(149.0,0.002002002);(152.0,0.2932932933);(153.0,0.0550550551);(154.0,0.018018018);(170.0,0.018018018);(171.0,0.018018018) | |
| LC-MS/MS | Not Available | negative | Not Available | View Spectrum | (57.033199,0.081039);(63.436707,0.070119);(68.996712,0.091825);(74.02523,0.08062);(75.097923,0.06969);(79.979797,0.097296);(81.033264,0.11909);(82.95195,0.063598);(93.033119,0.393857);(95.048897,0.671019);(105.033226,0.36652);(106.064812,0.822381);(107.048431,0.102888);(108.020432,0.3864);(109.028549,0.468346);(110.031601,0.384915);(121.028145,0.866693);(122.036156,5.959198);(123.043938,47.260445);(124.015465,0.318132);(124.047279,3.750784);(125.048912,0.296156);(125.095985,2.050889);(133.028442,0.344224);(137.023254,0.707717);(139.03891,0.297047);(140.042694,0.287439);(148.212799,0.074153);(149.023422,0.222091);(150.029007,0.154783);(151.039062,100.0);(152.042328,4.041175);(153.00563,0.449198);(154.008881,0.086078);(154.026077,0.361263);(168.037781,2.133119);(169.014145,0.091155);(169.036926,0.744209);(169.049789,0.837602);(169.064911,0.384924);(169.086136,0.68);(169.122559,1.225623);(169.849182,0.082946);(169.875565,0.396544);(170.027267,2.693463);(174.318375,0.069866) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (106.06488,3.09);(122.03616,7.32);(123.04401,55.07);(124.04728,12.05);(125.09573,1.47);(151.03906,100.0);(152.04237,30.87);(153.04408,1.34);(169.12273,1.03);(170.02724,10.51);(171.13818,33.81) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (95.05074,1.17);(105.03281,1.55);(108.02116,3.97);(122.03473,75.77);(123.04304,100.0);(123.59477,1.17);(151.04099,45.94) | |
| LC-MS/MS | LC-ESI-Q | Negative | high | View Spectrum | (122.036,0.1);(123.044,0.583);(150.988,0.014);(151.039,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Negative | medium | View Spectrum | (95.051,0.012);(105.033,0.015);(108.021,0.04);(122.035,0.758);(122.069,0.011);(122.57,0.012);(123.043,1.0);(123.068,0.014);(123.366,0.012);(123.595,0.012);(151.041,0.459) | |
| LC-MS/MS | LC-ESI-QFT | Negative | medium | View Spectrum | (59.01262283,0.0010408);(71.04878235,0.00128143);(71.85746765,0.00507221);(78.91733551,0.00134215);(78.95778656,0.00674447);(78.97215271,0.00238441);(79.97985077,0.00455188);(81.03324127,0.002535);(93.03286743,0.00371357);(95.01235199,0.00132466);(95.04891968,0.00578261);(105.033371,0.00530704);(106.0363922,0.00149044);(106.0648804,0.03089596);(107.0486679,0.00125274);(108.0204239,0.00689493);(109.0283508,0.00206348);(121.0281906,0.0060256);(122.0361633,0.07321065);(123.0440064,0.55074391);(124.0158539,0.0025074);(124.0472794,0.12048289);(125.048996,0.00726117);(125.0957336,0.01468211);(126.099411,0.00450292);(127.0750504,0.00141786);(127.1114044,0.00561196);(133.0283203,0.00211382);(137.0237274,0.00792228);(139.0387116,0.00462644);(142.3368073,0.00125256);(149.0232239,0.00436626);(150.0309753,0.00147037);(151.0390625,1.0);(152.0423737,0.30872777);(153.0440826,0.01337119);(154.0259705,0.00466789);(165.810791,0.00123535);(169.0383759,0.00597853);(169.049881,0.00653862);(169.0631256,0.00218278);(169.0865173,0.00550269);(169.1227264,0.01025716);(169.8482971,0.00524449);(169.8756867,0.01096255);(170.0272369,0.10505864);(170.1259918,0.00176587);(171.030426,0.00256375);(171.1019592,0.03089728);(171.1381836,0.33806658) | |
| LC-MS/MS | LC-ESI-Q | Negative | medium | View Spectrum | (106.065,0.031);(122.036,0.073);(123.044,0.551);(124.047,0.12);(125.096,0.015);(151.039,1.0);(152.042,0.309);(153.044,0.013);(169.123,0.01);(169.876,0.011);(170.027,0.105);(171.102,0.031);(171.138,0.338) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (19.01838972,0.0649589806);(31.01838972,0.1766007408);(55.01838972,0.1028579615);(57.03403978,0.14380271);(59.01330434,0.0595640958);(61.0289544,0.2084739181);(63.04460446,0.0572385501);(73.0289544,0.0821592151);(75.04460446,0.1072036481);(79.01838972,0.06265619);(83.01330434,0.0489364196);(85.0289544,0.1192187296);(87.04460446,0.1607038262);(89.06025453,0.0495531923);(99.04460446,0.0686175905);(109.0289544,3.970269535);(111.0446045,2.620466234);(113.0602545,0.1927559993);(115.0759046,0.333907913);(121.0289544,0.0974770874);(123.0446045,0.3200627678);(125.023869,0.0814616224);(127.0395191,0.1171146299);(129.0551691,0.0934059028);(135.0446045,1.61313007);(137.023869,0.1459006038);(139.0395191,8.880085674);(141.0551691,1.932541878);(153.0551691,16.12387204);(155.0344337,0.2707921163);(171.0657338,61.69421016) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (31.01838972,0.396938915);(51.0234751,0.2967705491);(61.0289544,1.615167503);(63.04460446,0.5073889278);(69.03403978,0.437935865);(71.04968984,0.2850800974);(79.01838972,1.52829459);(81.03403978,1.077620675);(85.0289544,0.3908875483);(87.04460446,0.7385338766);(89.06025453,0.408180716);(93.03403978,0.3273368351);(95.04968984,0.2999383847);(97.0289544,0.3995980532);(97.06533991,0.3298862917);(99.04460446,1.044378427);(109.0289544,9.372321581);(111.0446045,8.189498557);(113.0602545,1.162187261);(115.0759046,1.146337528);(121.0289544,0.4835268536);(123.0446045,2.95307659);(127.0395191,0.5726095297);(129.0551691,0.3130985526);(135.0446045,3.701197265);(137.023869,0.3699892042);(139.0395191,6.278594347);(141.0551691,3.935563443);(153.0551691,24.72868259);(155.0344337,0.2705740822);(171.0657338,26.43880536) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (31.01838972,0.6226400091);(51.0234751,7.816749333);(53.03912516,6.256574412);(55.01838972,1.754998562);(57.03403978,1.364860071);(67.01838972,1.809385955);(69.03403978,1.193039507);(71.04968984,0.4887933889);(79.01838972,3.888214338);(81.03403978,6.724639239);(83.04968984,1.883094655);(93.03403978,2.500589643);(95.04968984,3.82381796);(97.0289544,1.426204884);(97.06533991,2.676480629);(99.04460446,0.8376848921);(107.0133043,0.6278556345);(109.0289544,14.31033156);(111.0446045,5.198480096);(113.0602545,1.224150425);(115.0759046,1.023064829);(121.0289544,2.718436934);(123.0446045,6.324655699);(127.0395191,0.6587663211);(129.0551691,0.462901252);(135.0446045,8.547716136);(137.023869,2.424476884);(139.0395191,4.777382276);(141.0551691,0.5095087049);(153.0551691,5.330430857);(155.0344337,0.7940749133) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (17.00273965,0.4242966304);(29.00273965,0.1177714713);(31.01838972,0.1508786711);(41.00273965,0.1587605149);(43.01838972,0.1339028384);(53.00273965,0.0443455469);(55.01838972,0.0473429993);(56.99765427,0.0276958091);(59.01330434,1.060470615);(61.0289544,0.6111442923);(73.0289544,0.0201029756);(83.01330434,0.0294194172);(85.0289544,0.0300525931);(91.01838972,0.0295407755);(95.01330434,0.0369548655);(97.0289544,0.0696759757);(107.0133043,0.1391396867);(109.0289544,2.614372585);(111.0446045,0.2249105777);(113.0602545,0.0730335878);(115.0395191,0.0241481471);(121.0289544,0.5160592923);(123.008219,0.0186594738);(125.023869,0.0684415578);(127.0395191,0.3619199194);(133.0289544,0.0891518135);(137.023869,1.059364803);(139.0395191,6.065627668);(151.0395191,8.075029048);(153.0187836,0.1477169763);(169.0500838,77.53006887) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (17.00273965,0.9388180662);(29.00273965,0.4779237815);(31.01838972,0.3094804181);(41.00273965,0.2412604099);(43.01838972,0.5444236626);(51.0234751,0.5540201011);(55.01838972,0.2869295852);(56.99765427,0.3211002259);(59.01330434,4.075760689);(61.0289544,1.606932734);(67.01838972,0.5280706993);(73.0289544,0.2531796968);(81.03403978,0.2459649064);(83.01330434,0.2226619917);(91.01838972,0.7645238379);(93.03403978,0.3333595807);(95.01330434,0.2449349049);(97.0289544,0.6132574674);(107.0133043,2.894417257);(109.0289544,34.11486538);(111.0446045,1.634510406);(113.0602545,0.6348279007);(121.0289544,1.450261246);(123.008219,0.2421437812);(125.023869,0.7815909137);(127.0395191,1.568078208);(137.023869,3.021516739);(139.0395191,4.752794457);(151.0395191,10.20981266);(153.0187836,1.009199251);(169.0500838,25.12337904) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (29.00273965,1.393857828);(41.00273965,3.646208597);(43.01838972,1.8766896);(49.00782503,2.926444261);(51.0234751,3.34725445);(53.00273965,0.6615497198);(53.03912516,1.04592693);(55.01838972,0.4804398109);(56.99765427,1.004925565);(59.01330434,4.975019586);(61.0289544,0.9786143313);(65.00273965,1.835846409);(67.01838972,1.997024791);(77.00273965,1.533381601);(79.01838972,3.426441477);(81.03403978,1.737827718);(83.01330434,0.6533537248);(91.01838972,10.08071302);(93.03403978,2.350568787);(97.0289544,0.7653799501);(107.0133043,6.248362087);(109.0289544,35.4343677);(111.0446045,2.269169383);(113.0602545,0.6923948922);(119.0133043,0.4080880823);(121.0289544,1.228682456);(133.0289544,0.4128231085);(137.023869,1.997667885);(139.0395191,1.430060908);(151.0395191,2.776721302);(169.0500838,0.3841940362) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (123.04515,33.16);(123.04515,33.16);(123.04515,33.16);(123.04515,33.16);(123.04515,33.16);(123.04515,33.16);(123.04515,33.16);(123.04515,33.16);(123.04515,33.16);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(151.04007,98.75);(169.05063,100.0);(169.05063,100.0);(169.05063,100.0);(169.05063,100.0);(169.05063,100.0);(169.05063,100.0);(169.05063,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.00329,22.17);(59.01385,12.28);(93.03459,12.31);(93.03459,12.31);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(109.0295,36.32);(121.0295,58.45);(121.0295,58.45);(121.0295,58.45);(121.0295,58.45);(121.0295,58.45);(121.0295,58.45);(123.04515,100.0);(123.04515,100.0);(123.04515,100.0);(123.04515,100.0);(123.04515,100.0);(123.04515,100.0);(123.04515,100.0);(123.04515,100.0);(123.04515,100.0);(133.0295,84.51);(133.0295,84.51);(137.02442,18.9);(137.02442,18.9);(137.02442,18.9);(137.02442,18.9);(137.02442,18.9);(137.02442,18.9);(137.02442,18.9);(137.02442,18.9);(139.04007,18.07);(139.04007,18.07);(139.04007,18.07);(139.04007,18.07);(139.04007,18.07);(139.04007,18.07);(139.04007,18.07);(139.04007,18.07);(139.04007,18.07);(141.05572,14.74);(141.05572,14.74);(141.05572,14.74);(141.05572,14.74);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41);(151.04007,96.41) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,100.0);(43.01894,25.74);(51.02402,17.97);(53.00329,11.22);(55.01894,30.29);(59.01385,10.8);(65.00329,14.64);(67.01894,19.12);(67.01894,19.12);(79.01894,10.92);(80.9982,9.85);(83.01385,9.87);(93.03459,17.03);(93.03459,17.03);(107.01385,9.0);(107.01385,9.0);(107.01385,9.0);(107.01385,9.0);(107.01385,9.0);(107.01385,9.0);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(109.0295,54.18);(121.0295,30.69);(121.0295,30.69);(121.0295,30.69);(121.0295,30.69);(121.0295,30.69);(121.0295,30.69);(123.04515,10.8);(123.04515,10.8);(123.04515,10.8);(123.04515,10.8);(123.04515,10.8);(123.04515,10.8);(123.04515,10.8);(123.04515,10.8);(123.04515,10.8);(137.02442,9.9);(137.02442,9.9);(137.02442,9.9);(137.02442,9.9);(137.02442,9.9);(137.02442,9.9);(137.02442,9.9);(137.02442,9.9);(139.04007,11.82);(139.04007,11.82);(139.04007,11.82);(139.04007,11.82);(139.04007,11.82);(139.04007,11.82);(139.04007,11.82);(139.04007,11.82);(139.04007,11.82) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(111.04406,13.11);(123.04406,8.98);(123.04406,8.98);(123.04406,8.98);(123.04406,8.98);(123.04406,8.98);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(135.04406,100.0);(151.03897,6.94);(151.03897,6.94);(151.03897,6.94);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(153.05462,42.45);(171.06519,13.44);(171.06519,13.44);(171.06519,13.44);(171.06519,13.44);(171.06519,13.44);(171.06519,13.44);(171.06519,13.44) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (43.01784,33.63);(53.03858,22.92);(81.03349,32.28);(81.03349,32.28);(81.03349,32.28);(81.03349,32.28);(95.04914,16.93);(95.04914,16.93);(95.04914,16.93);(97.06479,30.38);(97.06479,30.38);(97.06479,30.38);(109.02841,58.22);(109.02841,58.22);(109.02841,58.22);(109.02841,58.22);(109.02841,58.22);(109.02841,58.22);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(111.04406,100.0);(115.07536,28.0);(115.07536,28.0);(115.07536,28.0);(115.07536,28.0);(115.07536,28.0);(115.07536,28.0);(123.04406,17.91);(123.04406,17.91);(123.04406,17.91);(123.04406,17.91);(123.04406,17.91);(125.05971,27.07);(125.05971,27.07);(125.05971,27.07);(125.05971,27.07);(125.05971,27.07);(125.05971,27.07);(125.05971,27.07);(135.04406,60.33);(135.04406,60.33);(135.04406,60.33);(135.04406,60.33);(135.04406,60.33);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79);(153.05462,37.79) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (39.02293,41.45);(41.03858,13.96);(43.01784,27.88);(51.02293,50.32);(53.03858,80.52);(55.01784,14.04);(67.01784,17.58);(67.01784,17.58);(79.01784,26.83);(79.01784,26.83);(79.01784,26.83);(81.03349,100.0);(81.03349,100.0);(81.03349,100.0);(81.03349,100.0);(83.04914,22.35);(83.04914,22.35);(83.04914,22.35);(95.04914,26.96);(95.04914,26.96);(95.04914,26.96);(97.06479,11.24);(97.06479,11.24);(97.06479,11.24);(99.04406,20.08);(99.04406,20.08);(99.04406,20.08);(99.04406,20.08);(99.04406,20.08);(109.02841,28.58);(109.02841,28.58);(109.02841,28.58);(109.02841,28.58);(109.02841,28.58);(109.02841,28.58);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(111.04406,19.38);(123.04406,13.98);(123.04406,13.98);(123.04406,13.98);(123.04406,13.98);(123.04406,13.98);(139.03897,13.23);(139.03897,13.23);(139.03897,13.23);(139.03897,13.23);(139.03897,13.23);(139.03897,13.23);(139.03897,13.23);(139.03897,13.23);(139.03897,13.23) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Olive, green | Fruit, Drupes | Publications | Show |
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