Scopoletin
precursor
Showing entry for Scopoletin
Identification
- PhytoHub ID
- PHUB000246
- Name
- Scopoletin
- Systematic Name
- Not Available
- Synonyms
- 6-Methoxyumbelliferone
- 6-O-Methylesculetin
- 7-Hydroxy-5-methoxycoumarin
- Chrysatropic acid
- Gelseminic acid
- CAS Number
- Not Available
- Average Mass
- 192.17
- Monoisotopic Mass
- 192.042258738
- Chemical Formula
- C10H8O4
- IUPAC Name
- 7-hydroxy-6-methoxy-2H-chromen-2-one
- InChI Key
- RODXRVNMMDRFIK-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
- SMILES
COC1=C(O)C=C2OC(=O)C=CC2=C1
- Structure
Structure for Scopoletin
Calculated Properties
- Solubility (ALOGPS)
- 2.35e+00 g/l
- LogS (ALOGPS)
- -1.91
- LogP (ALOGPS)
- 1.65
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 55.76
- Refractivity
- 49.9927
- Polarizability
- 18.30652103593662
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.882342454181455
- pKa (strongest acidic)
- 8.263751612912468
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 17488
- PubChem
- 5280460
- Chemistry Dashboard
- DTXSID0075368
- KNApSAcK
- C00002499
- MetaboLights
- MTBLC17488
- Phenol-Explorer
- 638
- FooDB (Compounds)
- FDB012705
- PeakForestCompound
- 000219
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Coumarins and Furanocoumarins
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Coumarins and derivatives
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Hydroxycoumarins
- Direct Parent Name
- 7-hydroxycoumarins
- Alternative Parent Names
- ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Lactones", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives"]
- External Descriptor Annotations
- ["a small molecule", "coumarins", "hydroxycoumarin"]
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "7-hydroxycoumarin", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Ether", "Heteroaromatic compound", "Hydrocarbon derivative", "Lactone", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Pyran", "Pyranone"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.011);(71.0,0.014);(72.0,0.014);(76.0,0.081);(77.0,0.062);(78.0,0.017);(79.0,0.082);(80.0,0.009);(81.0,0.013);(82.0,0.013);(83.0,0.025);(84.0,0.005);(85.0,0.027);(86.0,0.014);(87.0,0.022);(88.0,0.025);(89.0,0.088);(90.0,0.019);(91.0,0.037);(92.0,0.037);(93.0,0.02);(94.0,0.005);(95.0,0.014);(96.0,0.038);(97.0,0.005);(98.0,0.003);(99.0,0.032);(100.0,0.004);(101.0,0.009);(102.0,0.009);(103.0,0.186);(104.0,0.033);(105.0,0.026);(106.0,0.005);(107.0,0.023);(108.0,0.004);(109.0,0.013);(110.0,0.004);(111.0,0.009);(112.0,0.001);(113.0,0.001);(114.0,0.001);(115.0,0.009);(116.0,0.007);(117.0,0.03);(118.0,0.013);(119.0,0.018);(120.0,0.05);(121.0,0.025);(122.0,0.005);(123.0,0.004);(124.0,0.001);(125.0,0.005);(126.0,0.001);(127.0,0.001);(128.0,0.001);(129.0,0.004);(130.0,0.002);(131.0,0.021);(132.0,0.005);(133.0,0.012);(134.0,0.004);(135.0,0.076);(136.0,0.011);(137.0,0.006);(138.0,0.001);(139.0,0.001);(140.0,0.0);(141.0,0.0);(142.0,0.0);(143.0,0.001);(144.0,0.002);(145.0,0.01);(146.0,0.007);(150.0,0.01);(151.0,0.008);(152.0,0.002);(153.0,0.002);(154.0,0.0);(155.0,0.0);(156.0,0.0);(157.0,0.0);(158.0,0.0);(159.0,0.007);(160.0,0.006);(161.0,0.019);(162.0,0.007);(163.0,0.03);(164.0,0.007);(165.0,0.004);(166.0,0.002);(167.0,0.002);(168.0,0.0);(169.0,0.0);(170.0,0.0);(171.0,0.001);(172.0,0.001);(173.0,0.004);(174.0,0.002);(175.0,0.02);(176.0,0.239);(177.0,0.06);(178.0,0.023);(179.0,0.009);(180.0,0.003);(181.0,0.001);(182.0,0.001);(183.0,0.0);(184.0,0.0);(185.0,0.001);(186.0,0.001);(187.0,0.004);(188.0,0.003);(189.0,0.023);(190.0,0.008);(191.0,0.142);(192.0,0.032);(193.0,0.013);(194.0,0.003);(195.0,0.002);(196.0,0.001);(197.0,0.001);(198.0,0.001);(199.0,0.001);(200.0,0.001);(201.0,0.003);(202.0,0.002);(203.0,0.008);(204.0,0.016);(205.0,0.013);(206.0,0.59);(207.0,0.151);(208.0,0.042);(209.0,0.007);(210.0,0.001);(211.0,0.0);(212.0,0.0);(213.0,0.0);(214.0,0.0);(215.0,0.001);(216.0,0.001);(217.0,0.003);(218.0,0.003);(219.0,0.014);(220.0,0.008);(221.0,0.008);(222.0,0.003);(223.0,0.002);(224.0,0.001);(225.0,0.001);(226.0,0.001);(227.0,0.001);(228.0,0.001);(229.0,0.001);(230.0,0.0);(231.0,0.001);(232.0,0.002);(233.0,0.006);(234.0,1.0);(235.0,0.215);(236.0,0.068);(237.0,0.009);(238.0,0.002);(239.0,0.001);(240.0,0.001);(241.0,0.002);(242.0,0.002);(243.0,0.002);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.006);(248.0,0.003);(249.0,0.15);(250.0,0.034);(251.0,0.01);(252.0,0.002);(253.0,0.001);(254.0,0.001);(255.0,0.002);(256.0,0.002);(257.0,0.002);(258.0,0.002);(259.0,0.002);(260.0,0.002);(261.0,0.001);(262.0,0.001);(263.0,0.008);(264.0,0.421);(265.0,0.082);(266.0,0.024);(267.0,0.003);(268.0,0.0);(269.0,0.0);(270.0,0.0);(279.0,0.0);(280.0,0.0);(281.0,0.0);(282.0,0.0);(283.0,0.0);(284.0,0.0);(285.0,0.0);(298.0,0.0);(299.0,0.0);(307.0,0.0);(309.0,0.0);(336.0,0.0);(337.0,0.0);(338.0,0.0);(339.0,0.0) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.011);(71.0,0.014);(72.0,0.014);(76.0,0.081);(77.0,0.062);(78.0,0.017);(79.0,0.082);(80.0,0.009);(81.0,0.013);(82.0,0.013);(83.0,0.025);(84.0,0.005);(85.0,0.027);(86.0,0.014);(87.0,0.022);(88.0,0.025);(89.0,0.088);(90.0,0.019);(91.0,0.037);(92.0,0.037);(93.0,0.02);(94.0,0.005);(95.0,0.014);(96.0,0.038);(97.0,0.005);(98.0,0.003);(99.0,0.032);(100.0,0.004);(101.0,0.009);(102.0,0.009);(103.0,0.186);(104.0,0.033);(105.0,0.026);(106.0,0.005);(107.0,0.023);(108.0,0.004);(109.0,0.013);(110.0,0.004);(111.0,0.009);(112.0,0.001);(113.0,0.001);(114.0,0.001);(115.0,0.009);(116.0,0.007);(117.0,0.03);(118.0,0.013);(119.0,0.018);(120.0,0.05);(121.0,0.025);(122.0,0.005);(123.0,0.004);(124.0,0.001);(125.0,0.005);(126.0,0.001);(127.0,0.001);(128.0,0.001);(129.0,0.004);(130.0,0.002);(131.0,0.021);(132.0,0.005);(133.0,0.012);(134.0,0.004);(135.0,0.076);(136.0,0.011);(137.0,0.006);(138.0,0.001);(139.0,0.001);(140.0,0.0);(141.0,0.0);(142.0,0.0);(143.0,0.001);(144.0,0.002);(145.0,0.01);(146.0,0.007);(150.0,0.01);(151.0,0.008);(152.0,0.002);(153.0,0.002);(154.0,0.0);(155.0,0.0);(156.0,0.0);(157.0,0.0);(158.0,0.0);(159.0,0.007);(160.0,0.006);(161.0,0.019);(162.0,0.007);(163.0,0.03);(164.0,0.007);(165.0,0.004);(166.0,0.002);(167.0,0.002);(168.0,0.0);(169.0,0.0);(170.0,0.0);(171.0,0.001);(172.0,0.001);(173.0,0.004);(174.0,0.002);(175.0,0.02);(176.0,0.239);(177.0,0.06);(178.0,0.023);(179.0,0.009);(180.0,0.003);(181.0,0.001);(182.0,0.001);(183.0,0.0);(184.0,0.0);(185.0,0.001);(186.0,0.001);(187.0,0.004);(188.0,0.003);(189.0,0.023);(190.0,0.008);(191.0,0.142);(192.0,0.032);(193.0,0.013);(194.0,0.003);(195.0,0.002);(196.0,0.001);(197.0,0.001);(198.0,0.001);(199.0,0.001);(200.0,0.001);(201.0,0.003);(202.0,0.002);(203.0,0.008);(204.0,0.016);(205.0,0.013);(206.0,0.59);(207.0,0.151);(208.0,0.042);(209.0,0.007);(210.0,0.001);(211.0,0.0);(212.0,0.0);(213.0,0.0);(214.0,0.0);(215.0,0.001);(216.0,0.001);(217.0,0.003);(218.0,0.003);(219.0,0.014);(220.0,0.008);(221.0,0.008);(222.0,0.003);(223.0,0.002);(224.0,0.001);(225.0,0.001);(226.0,0.001);(227.0,0.001);(228.0,0.001);(229.0,0.001);(230.0,0.0);(231.0,0.001);(232.0,0.002);(233.0,0.006);(234.0,1.0);(235.0,0.215);(236.0,0.068);(237.0,0.009);(238.0,0.002);(239.0,0.001);(240.0,0.001);(241.0,0.002);(242.0,0.002);(243.0,0.002);(244.0,0.002);(245.0,0.002);(246.0,0.001);(247.0,0.006);(248.0,0.003);(249.0,0.15);(250.0,0.034);(251.0,0.01);(252.0,0.002);(253.0,0.001);(254.0,0.001);(255.0,0.002);(256.0,0.002);(257.0,0.002);(258.0,0.002);(259.0,0.002);(260.0,0.002);(261.0,0.001);(262.0,0.001);(263.0,0.008);(264.0,0.421);(265.0,0.082);(266.0,0.024);(267.0,0.003);(268.0,0.0);(269.0,0.0);(270.0,0.0);(279.0,0.0);(280.0,0.0);(281.0,0.0);(282.0,0.0);(283.0,0.0);(284.0,0.0);(285.0,0.0);(298.0,0.0);(299.0,0.0);(307.0,0.0);(309.0,0.0);(336.0,0.0);(337.0,0.0);(338.0,0.0);(339.0,0.0) | |
| GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,3.803804);(86.0,1.901902);(87.0,3.103103);(88.0,3.103103);(89.0,12.512513);(90.0,2.702703);(91.0,5.805806);(92.0,5.605606);(93.0,2.902903);(94.0,0.600601);(95.0,1.701702);(96.0,4.604605);(97.0,0.500501);(98.0,0.3003);(99.0,4.904905);(100.0,0.500501);(101.0,1.001001);(102.0,1.001001);(103.0,21.721722);(104.0,4.104104);(105.0,3.503504);(106.0,0.500501);(107.0,3.003003);(108.0,0.500501);(109.0,1.401401);(110.0,0.3003);(111.0,0.800801);(113.0,0.1001);(115.0,1.001001);(116.0,0.600601);(117.0,3.103103);(118.0,1.301301);(119.0,2.102102);(120.0,5.905906);(121.0,3.003003);(122.0,0.500501);(123.0,0.4004);(124.0,0.1001);(125.0,0.4004);(127.0,0.1001);(129.0,0.3003);(130.0,0.1001);(131.0,2.102102);(132.0,0.4004);(133.0,1.201201);(134.0,0.3003);(135.0,8.208208);(136.0,1.001001);(137.0,0.500501);(143.0,0.1001);(144.0,0.1001);(145.0,0.900901);(146.0,0.500501);(147.0,2.002002);(148.0,3.603604);(149.0,3.203203);(150.0,0.800801);(151.0,0.600601);(152.0,0.1001);(153.0,0.1001);(159.0,0.4004);(160.0,0.4004);(161.0,1.701702);(162.0,0.500501);(163.0,2.902903);(164.0,0.600601);(165.0,0.3003);(166.0,0.1001);(167.0,0.1001);(173.0,0.2002);(174.0,0.1001);(175.0,1.401401);(176.0,17.917918);(177.0,4.604605);(178.0,1.901902);(179.0,0.600601);(180.0,0.1001);(187.0,0.2002);(188.0,0.2002);(189.0,1.901902);(190.0,0.600601);(191.0,13.213213);(192.0,2.602603);(193.0,0.900901);(194.0,0.1001);(201.0,0.2002);(203.0,0.600601);(204.0,1.201201);(205.0,0.800801);(206.0,54.154154);(207.0,10.01001);(208.0,3.003003);(209.0,0.3003);(217.0,0.2002);(218.0,0.2002);(219.0,1.201201);(220.0,0.700701);(221.0,0.900901);(222.0,0.2002);(223.0,0.1001);(224.0,0.1001);(232.0,0.2002);(233.0,0.500501);(234.0,100.0);(235.0,18.618619);(236.0,5.905906);(237.0,0.600601);(238.0,0.1001);(241.0,0.1001);(242.0,0.1001);(247.0,0.4004);(248.0,0.2002);(249.0,13.613614);(250.0,3.103103);(251.0,0.700701);(252.0,0.1001);(256.0,0.1001);(257.0,0.1001);(258.0,0.1001);(259.0,0.1001);(263.0,0.4004);(264.0,34.134134);(265.0,6.606607);(266.0,1.901902);(267.0,0.2002) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.00219012,1.4623968);(42.01001472,1.427780062);(54.01001472,1.193176409);(120.020578,1.447041443);(122.0362272,3.186687987);(123.0440518,1.988766857);(133.0284026,1.527716735);(133.9998429,1.102085775);(136.0154921,1.114401123);(138.0311413,2.785868772);(139.0389659,2.101937557);(140.0467905,1.316729842);(146.0362272,3.087453158);(147.0076675,1.683222031);(147.0440518,3.506908393);(148.0154921,2.831014005);(148.0518764,8.323341138);(149.0233167,4.217076142);(150.0311413,3.012629862);(151.0389659,1.580844758);(162.0311413,5.948156161);(163.0389659,8.421526989);(164.0467905,11.26527746);(165.0501894,1.161113731);(174.0311413,2.725913603);(175.0389659,2.652893365);(176.0104062,1.84188284);(177.0182308,2.847356482);(191.03388,1.308013551);(192.0417046,11.60087474);(193.0451019,1.329912223) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (41.00219012,1.258583169);(55.01783932,0.9157120613);(73.04679982,6.906183238);(99.02606472,1.224604616);(101.0417139,0.7753996711);(162.0311413,0.8860564152);(163.0389659,2.256288828);(191.0158929,0.8295039953);(191.03388,0.8801330888);(192.0417046,1.994456697);(193.0495292,1.195550757);(195.0471913,1.291295845);(203.0522772,0.881894478);(205.0315421,1.158640498);(205.0679264,2.656676635);(208.0550159,0.9510337337);(210.0706651,1.123558243);(211.0784897,0.9249579015);(219.0471913,2.129076804);(219.0835756,0.9289637496);(220.0550159,0.8048993726);(220.0914002,1.826159574);(221.0628405,6.483059174);(222.0651492,1.14647955);(234.0706651,1.113889874);(235.0784897,2.117329177);(236.0863143,3.098048368);(248.04993,1.4267009);(249.0577546,4.156657669);(250.0601293,0.7831608194);(264.0812284,1.83941538) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (41.00219012,1.026127199);(50.01510062,0.848862522);(51.02292522,0.9943678025);(52.03074982,0.7796852093);(120.020578,0.9149359004);(122.0362272,2.286667814);(123.0440518,1.622634003);(133.0284026,1.567299735);(133.9998429,0.95229507);(136.0154921,1.26877071);(138.0311413,2.724468647);(139.0389659,1.709175918);(140.0467905,1.165253324);(146.0362272,3.794850552);(147.0076675,1.083000191);(147.0440518,4.884362646);(148.0154921,1.962865677);(148.0518764,8.181928254);(149.0233167,2.669102387);(149.0552723,0.840245061);(150.0311413,2.058804156);(151.0389659,1.056992218);(162.0311413,3.746829575);(163.0389659,2.717312461);(164.0467905,7.297377717);(174.0311413,2.192436524);(175.0389659,2.019251058);(176.0104062,1.040527518);(177.0182308,1.737281864);(191.03388,0.8931011399);(192.0417046,6.677631265) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (556.0019,12.0);(577.1575,999.0);(577.6571,76.0);(578.1609,235.0);(579.1619,36.0);(623.1633,142.0);(624.1661,42.0);(625.1675,12.0);(645.144,57.0);(646.1495,16.0);(666.0197,44.0);(691.1501,21.0);(695.0922,15.0);(866.2382,52.0);(866.7349,45.0);(867.2427,22.0);(867.7396,10.0);(1155.3215,18.0);(1155.8148,15.0);(1156.3185,13.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0267,11.0);(120.0212,25.0);(148.0167,250.0);(149.0204,18.0);(176.0118,999.0);(177.0149,79.0);(191.0351,160.0);(192.038,17.0);(292.9748,10.0);(320.992,12.0);(381.0614,420.0);(382.0642,71.0);(383.0674,11.0);(389.0842,34.0);(405.0585,104.0);(406.0619,19.0);(467.0281,33.0);(619.0841,11.0);(674.0358,23.0);(724.0186,14.0);(818.0687,13.0);(820.0738,147.0);(821.0764,61.0);(822.0779,17.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0267,11.0);(120.0212,25.0);(148.0167,250.0);(149.0204,18.0);(176.0118,999.0);(177.0149,79.0);(191.0351,160.0);(192.038,17.0);(292.9748,10.0);(320.992,12.0);(381.0614,420.0);(382.0642,71.0);(383.0674,11.0);(389.0842,34.0);(405.0585,104.0);(406.0619,19.0);(467.0281,33.0);(619.0841,11.0);(674.0358,23.0);(724.0186,14.0);(818.0687,13.0);(820.0738,147.0);(821.0764,61.0);(822.0779,17.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0267,11.0);(120.0212,25.0);(148.0167,250.0);(149.0204,18.0);(176.0118,999.0);(177.0149,79.0);(191.0351,160.0);(192.038,17.0);(292.9748,10.0);(320.992,12.0);(381.0614,420.0);(382.0642,71.0);(383.0674,11.0);(389.0842,34.0);(405.0585,104.0);(406.0619,19.0);(467.0281,33.0);(619.0841,11.0);(674.0358,23.0);(724.0186,14.0);(818.0687,13.0);(820.0738,147.0);(821.0764,61.0);(822.0779,17.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (176.0118,126.0);(191.0352,999.0);(192.0384,86.0);(259.0223,36.0);(320.9912,24.0);(381.061,60.0);(389.0841,55.0);(405.0588,32.0);(820.0721,58.0);(821.0755,27.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0269,999.0);(120.0223,840.0);(148.0136,445.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0267,11.0);(120.0212,25.0);(148.0167,250.0);(149.0204,18.0);(176.0118,999.0);(177.0149,79.0);(191.0351,160.0);(192.038,17.0);(292.9748,10.0);(320.992,12.0);(381.0614,420.0);(382.0642,71.0);(383.0674,11.0);(389.0842,34.0);(405.0585,104.0);(406.0619,19.0);(467.0281,33.0);(619.0841,11.0);(674.0358,23.0);(724.0186,14.0);(818.0687,13.0);(820.0738,147.0);(821.0764,61.0);(822.0779,17.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0184,20.0);(104.0215,20.0);(137.0241,22.0);(148.0154,33.0);(176.0116,999.0);(177.0144,119.0);(191.0344,881.0);(192.0385,103.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0249,40.0);(120.0209,65.0);(148.016,400.0);(149.0216,43.0);(176.0116,999.0);(177.0145,120.0);(180.0096,26.0);(191.0384,34.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (104.0278,407.0);(105.0305,131.0);(120.022,816.0);(148.016,999.0);(176.011,778.0) | |
| LC-MS/MS | ESI-TOF | Negative | Not Available | View Spectrum | (176.0118,126.0);(191.0352,999.0);(192.0384,86.0);(259.0223,36.0);(320.9912,24.0);(381.061,60.0);(389.0841,55.0);(405.0588,32.0);(820.0721,58.0);(821.0755,27.0) | |
| LC-MS/MS | LC-ESI-qTof | Positive | Not Available | View Spectrum | (94.968735,140.0);(95.046112,240.0);(95.619614,64.0);(96.112648,176.0);(96.593254,48.0);(97.033882,156.0);(97.64064,140.0);(97.725227,180.0);(97.992996,168.0);(98.274948,152.0);(99.508011,132.0);(100.008965,100.0);(101.282875,136.0);(102.12188,208.0);(102.49028,116.0);(103.037056,68.0);(103.706863,116.0);(104.027542,216.0);(104.074051,28.0);(105.037743,652.0);(105.06115,220.0);(106.037773,388.0);(106.48172,60.0);(106.705704,60.0);(106.777672,84.0);(106.983437,148.0);(107.236801,204.0);(107.825012,188.0);(108.052467,160.0);(109.031303,160.0);(109.062973,180.0);(109.085236,184.0);(112.681549,152.0);(113.079102,220.0);(113.593987,148.0);(114.623009,200.0);(115.778709,64.0);(116.434959,168.0);(116.826164,144.0);(116.854126,140.0);(117.033646,216.0);(117.052155,48.0);(117.067223,108.0);(118.053429,124.0);(120.103676,164.0);(121.026855,880.0);(122.002235,148.0);(122.036285,4192.0);(122.090187,44.0);(122.63179,72.0);(123.036659,284.0);(123.909042,192.0);(124.297058,184.0);(124.812393,172.0);(125.333252,96.0);(126.132217,144.0);(126.194809,80.0);(127.697273,168.0);(131.289276,48.0);(131.341736,272.0);(132.017776,132.0);(132.890503,92.0);(133.028397,5964.0);(133.052017,192.0);(134.03215,732.0);(134.579926,168.0);(134.948486,256.0);(135.447174,160.0);(135.507401,180.0);(135.729904,52.0);(136.305573,132.0);(136.43573,172.0);(136.521759,80.0);(137.06076,2096.0);(137.115417,76.0);(137.236633,144.0);(138.063919,144.0);(139.068207,184.0);(142.031967,100.0);(145.513794,48.0);(145.564209,52.0);(145.984741,44.0);(147.126831,176.0);(149.022919,328.0);(149.059647,228.0);(149.10582,40.0);(149.220062,176.0);(150.031509,5472.0);(150.161697,104.0);(150.262207,176.0);(150.335663,44.0);(150.372269,72.0);(150.389359,88.0);(151.036621,756.0);(151.580368,64.0);(151.602417,108.0);(151.955521,60.0);(152.070847,120.0);(152.124847,104.0);(152.272171,108.0);(155.206375,164.0);(155.389923,56.0);(161.023346,648.0);(161.282608,40.0);(162.025772,172.0);(163.028503,176.0);(164.046951,148.0);(165.057755,160.0);(166.069565,128.0);(174.578369,192.0);(174.709885,164.0);(177.014069,188.0);(177.835129,176.0);(178.026611,4480.0);(178.162537,68.0);(178.247559,68.0);(178.266159,60.0);(178.29007,40.0);(178.505402,160.0);(178.566559,60.0);(178.59848,44.0);(178.787384,92.0);(178.829971,64.0);(179.032883,628.0);(179.391998,40.0);(180.028702,292.0);(180.673843,52.0);(181.608719,52.0);(188.086639,60.0);(192.208832,148.0);(193.048935,1256.0);(193.07103,316.0);(193.712845,76.0);(194.058929,436.0);(196.453827,64.0);(199.014648,172.0);(205.99028,144.0);(253.032288,112.0);(266.799835,84.0);(375.860748,44.0);(384.120636,76.0);(426.746063,96.0);(479.425873,92.0);(695.191406,132.0);(753.933777,160.0);(838.786499,236.0);(947.220337,192.0);(947.667542,56.0);(950.353027,204.0);(961.855042,180.0);(983.94873,144.0);(988.724243,216.0);(1043.70813,204.0);(1058.380859,236.0);(1062.820801,188.0);(1075.041016,132.0);(1078.339111,72.0);(1080.830566,204.0);(1082.106934,104.0);(1099.09729,136.0);(1101.262573,200.0);(1104.16394,180.0);(1108.546387,164.0);(1129.531738,40.0);(1144.349365,140.0);(1144.538574,192.0);(1230.265259,212.0);(1242.610474,156.0);(1245.86084,40.0);(1255.101807,148.0);(1260.692383,168.0);(1261.307251,176.0);(1262.360718,156.0);(1264.390991,184.0);(1266.401611,144.0);(1278.143433,72.0);(1280.435669,176.0);(1280.599487,192.0);(1295.614258,164.0);(1310.104126,204.0);(1313.081055,124.0);(1315.490967,176.0);(1318.019653,152.0);(1339.041504,100.0);(1346.297852,208.0);(1353.515259,152.0);(1356.929565,196.0);(1359.379395,160.0);(1369.399536,144.0);(1373.25415,164.0);(1389.706055,204.0);(1389.832275,120.0);(1392.088745,168.0);(1399.636108,172.0);(1409.250366,192.0);(1409.840698,208.0);(1410.304077,168.0);(1422.340698,160.0);(1427.171265,124.0);(1435.634888,284.0);(1440.623901,136.0);(1458.658813,184.0);(1465.622314,156.0);(1469.625244,120.0);(1470.991333,128.0);(1473.839966,188.0);(1480.686279,172.0);(1487.4104,124.0);(1488.231812,200.0);(1495.38855,72.0);(1499.008057,140.0);(1499.778809,128.0);(1503.310913,80.0) | |
| LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (104.0268,34.375877);(120.0218,10.610098);(148.0159,28.085554);(176.0106,100.0);(191.0345,35.154278) | |
| LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (104.0258,3.228141);(105.351,0.600753);(120.023,0.781702);(148.0168,4.95802);(176.0111,100.0);(176.0486,2.72872);(176.0694,1.063984);(176.0885,0.680371);(176.134,1.367979);(191.0342,49.507817) | |
| LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (104.027,34.840333);(104.0622,0.572718);(104.1216,0.546685);(120.021,9.840333);(148.0164,39.396043);(148.0512,1.301631);(148.0757,0.642138);(176.0105,100.0);(176.05,3.10656);(176.0747,1.223533);(176.1005,0.798334);(176.1338,1.48386);(191.037,1.284276) | |
| LC-MS/MS | LC-ESI-QTOF | negative | Not Available | View Spectrum | (104.0269,100.0);(104.0583,3.733693);(104.1212,1.934323);(119.0174,2.654071);(120.0144,1.169591);(120.0219,28.879892);(120.0544,1.124606);(148.0144,11.830859);(171.8806,1.48448);(176.0136,1.709402);(176.4056,0.899685) | |
| LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (104.0269,100.0);(120.0223,84.084084);(148.0136,44.544545) | |
| LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (104.0184,2.002002);(104.0215,2.002002);(137.0241,2.202202);(148.0154,3.303303);(176.0116,100.0);(177.0144,11.911912);(191.0344,88.188188);(192.0385,10.31031) | |
| LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (104.0249,4.004004);(120.0209,6.506507);(148.016,40.04004);(149.0216,4.304304);(176.0116,100.0);(177.0145,12.012012);(180.0096,2.602603);(191.0384,3.403403) | |
| LC-MS/MS | LC-ESI-TOF | negative | Not Available | View Spectrum | (104.0278,40.740741);(105.0305,13.113113);(120.022,81.681682);(148.016,100.0);(176.011,77.877878) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (26.0,0.11407);(27.0,0.12116);(28.0,0.76955);(29.0,0.12001);(30.0,0.19601);(31.0,0.16141);(32.0,0.16213);(35.0,0.12797);(37.0,0.16951);(40.0,0.23813);(41.0,0.2846);(42.0,0.26998);(46.0,0.50493);(49.0,0.13347);(51.0,0.18081);(52.0,0.467);(53.0,0.12015);(55.0,0.18095);(56.0,0.11262);(57.0,0.50739);(63.0,0.1064);(64.0,0.31124);(66.0,0.36639);(69.0,0.12449);(76.0,0.21207);(77.0,0.6287);(78.0,0.261);(79.0,0.23017);(81.0,0.45846);(82.0,0.17965);(83.0,0.21656);(85.0,0.3703);(88.0,0.16894);(89.0,0.30993);(90.0,0.86002);(91.0,0.26983);(94.0,0.44022);(95.0,0.14201);(96.0,0.19774);(100.0,0.21236);(101.0,0.11364);(104.0,0.23886);(105.0,0.78866);(106.0,0.14997);(107.0,0.31457);(108.0,0.16488);(109.0,0.31051);(110.0,0.20831);(114.0,0.10017);(115.0,0.11827);(116.0,0.11132);(117.0,1.72121);(118.0,0.11856);(120.0,0.31442);(121.0,0.32383);(122.0,2.00262);(124.0,0.21656);(126.0,0.38709);(130.0,0.14244);(131.0,0.13072);(133.0,48.7149);(134.0,0.78431);(135.0,0.37146);(137.0,12.35388);(138.0,0.58339);(141.0,0.1271);(144.0,0.11914);(146.0,0.152);(147.0,0.16778);(148.0,0.10886);(149.0,4.72166);(150.0,2.54649);(155.0,0.13188);(156.0,0.11407);(161.0,1.25985);(162.0,0.17255);(163.0,0.16228);(165.0,5.22268);(166.0,0.13376);(167.0,0.12623);(168.0,0.14606);(170.0,0.18761);(172.0,0.32658);(175.0,0.33729);(176.0,0.4408);(178.0,30.47591);(179.0,1.98757);(180.0,0.14216);(181.0,0.12232);(182.0,0.21975);(183.0,0.18877);(184.0,0.10365);(187.0,0.1617);(189.0,0.33367);(191.0,0.1588);(192.0,0.26578);(193.0,100.0);(194.0,1.47352);(196.0,0.17704);(197.0,0.15214) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (26.0,0.19917);(28.0,0.29003);(29.0,0.81025);(34.0,0.50388);(35.0,0.14183);(36.0,0.45679);(37.0,0.44377);(38.0,0.1108);(41.0,0.20609);(42.0,0.78504);(46.0,0.29945);(50.0,0.43019);(51.0,0.29584);(52.0,0.19335);(53.0,0.17258);(56.0,0.23241);(57.0,0.39141);(59.0,0.6457);(61.0,0.34127);(62.0,0.12687);(64.0,0.25734);(65.0,0.37645);(66.0,0.32631);(67.0,0.47618);(68.0,0.12798);(69.0,0.27202);(70.0,0.64737);(71.0,0.11053);(73.0,0.28975);(76.0,0.23878);(77.0,1.61606);(78.0,0.98365);(79.0,0.44321);(80.0,0.34404);(81.0,0.79363);(82.0,0.2626);(83.0,0.13573);(84.0,0.14654);(87.0,0.12244);(89.0,2.65401);(90.0,0.22632);(91.0,1.23435);(92.0,0.16537);(93.0,0.41884);(94.0,5.88447);(96.0,0.24349);(100.0,0.29751);(101.0,0.85512);(104.0,0.1831);(105.0,4.36176);(106.0,0.95374);(107.0,0.89861);(109.0,0.9867);(110.0,0.78615);(111.0,0.10083);(112.0,0.46426);(113.0,0.70166);(114.0,0.43269);(115.0,0.618);(116.0,0.1903);(117.0,2.80387);(119.0,0.16648);(121.0,0.36343);(122.0,18.35202);(123.0,0.73656);(124.0,0.12244);(128.0,0.13684);(129.0,0.13795);(130.0,0.22659);(132.0,0.18892);(133.0,100.0);(134.0,3.52215);(135.0,0.11939);(137.0,39.72953);(138.0,0.86703);(139.0,0.21108);(141.0,0.34238);(143.0,0.22216);(144.0,0.51052);(147.0,0.10305);(148.0,0.39335);(149.0,2.35235);(150.0,14.28971);(151.0,0.28643);(152.0,0.17008);(153.0,0.1867);(154.0,0.20166);(156.0,0.18338);(160.0,0.10028);(161.0,1.82548);(162.0,0.13546);(164.0,0.36371);(165.0,2.59057);(167.0,0.35235);(168.0,0.19197);(169.0,0.88421);(170.0,0.15291);(171.0,0.13601);(172.0,0.18338);(173.0,0.13989);(174.0,0.52327);(175.0,0.12632);(178.0,78.44297);(179.0,1.98227);(181.0,0.18975);(182.0,0.13241);(183.0,0.62465);(184.0,0.19972);(185.0,0.30055);(191.0,0.13629);(192.0,0.11385);(193.0,43.13837);(194.0,0.95595);(196.0,0.24044);(197.0,0.63435);(199.0,0.1072) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (66.0488,5.492912);(77.041,8.653351);(81.036,8.228093);(94.0443,16.024485);(105.0365,6.636598);(122.0396,26.79768);(133.0314,61.436856);(137.0632,20.103093);(150.0352,18.327964);(165.0588,5.634665);(178.0298,40.109536);(193.0501,100.0) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (114.9452,2.763256);(133.0268,20.98581);(137.0554,5.825243);(150.0296,1.792382);(164.0445,3.883495);(178.0242,9.18596);(192.9619,1.941748);(193.0483,100.0) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (114.9455,12.334802);(122.035,46.255507);(133.0273,100.0);(137.0585,37.885463);(148.9695,4.625551);(149.0635,6.167401);(150.0301,26.211454);(165.0557,5.066079);(178.0262,67.180617);(193.0475,44.273128) | |
| LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (94.968735,2.347418);(95.046112,4.024145);(95.619614,1.073105);(96.112648,2.95104);(96.593254,0.804829);(97.033882,2.615694);(97.64064,2.347418);(97.725227,3.018109);(97.992996,2.816901);(98.274948,2.548625);(99.508011,2.21328);(100.008965,1.676727);(101.282875,2.280349);(102.12188,3.487592);(102.49028,1.945003);(103.037056,1.140174);(103.706863,1.945003);(104.027542,3.62173);(104.074051,0.469484);(105.037743,10.93226);(105.06115,3.688799);(106.037773,6.505701);(106.48172,1.006036);(106.705704,1.006036);(106.777672,1.408451);(106.983437,2.481556);(107.236801,3.420523);(107.825012,3.152247);(108.052467,2.682763);(109.031303,2.682763);(109.062973,3.018109);(109.085236,3.085178);(112.681549,2.548625);(113.079102,3.688799);(113.593987,2.481556);(114.623009,3.353454);(115.778709,1.073105);(116.434959,2.816901);(116.826164,2.414487);(116.854126,2.347418);(117.033646,3.62173);(117.052155,0.804829);(117.067223,1.810865);(118.053429,2.079142);(120.103676,2.749832);(121.026855,14.755198);(122.002235,2.481556);(122.036285,70.288397);(122.090187,0.73776);(122.63179,1.207243);(123.036659,4.761905);(123.909042,3.219316);(124.297058,3.085178);(124.812393,2.88397);(125.333252,1.609658);(126.132217,2.414487);(126.194809,1.341382);(127.697273,2.816901);(131.289276,0.804829);(131.341736,4.560698);(132.017776,2.21328);(132.890503,1.542589);(133.028397,100.0);(133.052017,3.219316);(134.03215,12.273642);(134.579926,2.816901);(134.948486,4.292421);(135.447174,2.682763);(135.507401,3.018109);(135.729904,0.871898);(136.305573,2.21328);(136.43573,2.88397);(136.521759,1.341382);(137.06076,35.144199);(137.115417,1.274313);(137.236633,2.414487);(138.063919,2.414487);(139.068207,3.085178);(142.031967,1.676727);(145.513794,0.804829);(145.564209,0.871898);(145.984741,0.73776);(147.126831,2.95104);(149.022919,5.499665);(149.059647,3.822938);(149.10582,0.670691);(149.220062,2.95104);(150.031509,91.750503);(150.161697,1.743796);(150.262207,2.95104);(150.335663,0.73776);(150.372269,1.207243);(150.389359,1.47552);(151.036621,12.676056);(151.580368,1.073105);(151.602417,1.810865);(151.955521,1.006036);(152.070847,2.012072);(152.124847,1.743796);(152.272171,1.810865);(155.206375,2.749832);(155.389923,0.938967);(161.023346,10.865191);(161.282608,0.670691);(162.025772,2.88397);(163.028503,2.95104);(164.046951,2.481556);(165.057755,2.682763);(166.069565,2.146211);(174.578369,3.219316);(174.709885,2.749832);(177.014069,3.152247);(177.835129,2.95104);(178.026611,75.117371);(178.162537,1.140174);(178.247559,1.140174);(178.266159,1.006036);(178.29007,0.670691);(178.505402,2.682763);(178.566559,1.006036);(178.59848,0.73776);(178.787384,1.542589);(178.829971,1.073105);(179.032883,10.529846);(179.391998,0.670691);(180.028702,4.896043);(180.673843,0.871898);(181.608719,0.871898);(188.086639,1.006036);(192.208832,2.481556);(193.048935,21.059691);(193.07103,5.298457);(193.712845,1.274313);(194.058929,7.31053);(196.453827,1.073105);(199.014648,2.88397);(205.99028,2.414487);(253.032288,1.877934);(266.799835,1.408451);(375.860748,0.73776);(384.120636,1.274313);(426.746063,1.609658);(479.425873,1.542589);(695.191406,2.21328);(753.933777,2.682763);(838.786499,3.957076);(947.220337,3.219316);(947.667542,0.938967);(950.353027,3.420523);(961.855042,3.018109);(983.94873,2.414487);(988.724243,3.62173);(1043.70813,3.420523);(1058.380859,3.957076);(1062.820801,3.152247);(1075.041016,2.21328);(1078.339111,1.207243);(1080.830566,3.420523);(1082.106934,1.743796);(1099.09729,2.280349);(1101.262573,3.353454);(1104.16394,3.018109);(1108.546387,2.749832);(1129.531738,0.670691);(1144.349365,2.347418);(1144.538574,3.219316);(1230.265259,3.554661);(1242.610474,2.615694);(1245.86084,0.670691);(1255.101807,2.481556);(1260.692383,2.816901);(1261.307251,2.95104);(1262.360718,2.615694);(1264.390991,3.085178);(1266.401611,2.414487);(1278.143433,1.207243);(1280.435669,2.95104);(1280.599487,3.219316);(1295.614258,2.749832);(1310.104126,3.420523);(1313.081055,2.079142);(1315.490967,2.95104);(1318.019653,2.548625);(1339.041504,1.676727);(1346.297852,3.487592);(1353.515259,2.548625);(1356.929565,3.286385);(1359.379395,2.682763);(1369.399536,2.414487);(1373.25415,2.749832);(1389.706055,3.420523);(1389.832275,2.012072);(1392.088745,2.816901);(1399.636108,2.88397);(1409.250366,3.219316);(1409.840698,3.487592);(1410.304077,2.816901);(1422.340698,2.682763);(1427.171265,2.079142);(1435.634888,4.761905);(1440.623901,2.280349);(1458.658813,3.085178);(1465.622314,2.615694);(1469.625244,2.012072);(1470.991333,2.146211);(1473.839966,3.152247);(1480.686279,2.88397);(1487.4104,2.079142);(1488.231812,3.353454);(1495.38855,1.207243);(1499.008057,2.347418);(1499.778809,2.146211);(1503.310913,1.341382) | |
| LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (77.04129,5.114364);(78.046028,3.288998);(78.364395,0.617731);(79.015755,1.113028);(80.028549,0.550949);(81.033638,12.788692);(83.013275,0.840336);(89.027847,0.623296);(89.319328,1.658412);(91.054199,2.253882);(93.030388,1.035116);(94.041306,21.781958);(95.040825,2.020146);(98.521362,0.895988);(104.024025,1.80867);(105.035263,11.970616);(106.048271,1.497023);(107.049431,2.582225);(113.349945,1.19094);(118.031952,0.818076);(119.050072,0.6066);(121.02639,4.246202);(122.036255,38.822416);(122.523628,0.612165);(123.041183,0.973899);(124.056305,0.818076);(132.02121,0.656687);(133.028519,61.439145);(133.221893,0.623296);(134.031754,1.029551);(135.043198,1.430241);(137.05928,27.914742);(138.064774,1.046246);(139.002594,1.224331);(140.045807,0.639991);(149.029129,1.129723);(149.055939,1.508153);(150.032013,45.433803);(151.039124,2.77144);(151.323105,0.717903);(152.146652,0.645556);(161.022736,4.140464);(165.054199,5.292448);(178.027176,87.233569);(179.030716,4.607936);(192.917542,1.062942);(193.049957,100.0);(193.654327,1.313373);(194.055511,3.105348);(1379.241211,1.330068);(1939.240845,0.695642) | |
| LC-MS/MS | Not Available | positive | Not Available | View Spectrum | (74.590065,2.62073);(77.000633,4.343345);(77.18103,3.798587);(78.490555,10.57126);(80.481636,3.40106);(81.988266,3.209658);(82.127487,6.330978);(86.004486,41.931684);(86.091026,4.210836);(86.993683,6.080683);(87.496269,13.118375);(87.999207,2.090695);(90.48526,3.886926);(94.453583,1.383981);(94.483337,5.094229);(94.606995,1.88457);(95.008392,100.0);(95.492889,2.694346);(96.000359,5.962898);(96.502197,25.058893);(97.009521,3.386337);(97.501381,2.635453);(97.993317,10.276796);(99.487808,6.330978);(99.989281,3.180212);(100.263268,4.755595);(100.523766,4.667256);(100.572227,1.47232);(100.652985,3.047703);(100.981812,6.80212);(103.919601,2.738516);(104.013687,33.68669);(104.163322,1.92874);(104.245148,1.089517);(104.515411,2.709069);(105.011452,2.871025);(106.51461,1.663722);(106.712929,2.237927);(107.002121,14.355124);(108.493851,49.823322);(108.634865,2.812132);(109.493408,1.398704);(110.722954,5.977621);(115.293442,2.414605);(115.927032,3.297998);(115.976341,5.108952);(116.005836,56.242638);(116.338898,1.383981);(117.00547,4.902827);(117.499275,49.072438);(117.790054,2.532391);(117.997169,2.355713);(121.022186,3.76914);(124.989685,1.972909);(125.011093,15.076561);(136.955429,2.6649);(137.003342,20.259128);(138.494217,3.842756);(144.48143,2.900471);(145.976288,2.62073);(146.008392,48.1596);(146.511749,2.826855);(152.025436,3.297998);(161.026825,3.798587);(173.180023,2.797409);(252.007889,5.123675) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (66.02746,1.2);(66.0468,7.4);(68.99645,1.9);(77.03938,11.8);(79.0498,1.1);(81.03217,4.6);(89.03204,1.7);(93.03562,1.7);(94.04051,27.6);(95.04618,1.7);(105.03595,6.4);(107.04681,2.0);(121.03224,6.1);(122.03587,100.0);(123.02368,1.5);(133.02708,54.3);(134.03104,8.2);(137.05869,28.6);(138.06723,2.6);(149.06602,2.1);(150.02515,24.2);(151.03632,4.5);(161.02472,5.3);(178.02847,34.6);(179.03697,2.1);(193.04167,2.7) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (120.0211,19.34);(121.0241,2.4);(148.0168,90.08);(149.0202,10.31);(176.0119,100.0);(177.0152,11.91) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (120.0209,54.02);(148.0169,100.0);(149.02,12.33);(176.0124,43.12) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (133.02933,2.1);(192.04062,1.1);(193.04962,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (66.04313,12.7);(77.03839,16.2);(91.82507,12.0);(94.29456,14.1);(104.02498,26.8);(121.03184,12.7);(122.03642,100.0);(133.02599,26.1);(150.04172,12.0);(178.03088,52.1);(192.18636,12.7);(193.04616,23.2) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.04005,1.2);(94.04057,2.2);(105.03043,1.0);(122.03503,6.41);(133.02768,21.52);(134.0304,1.8);(137.05925,8.71);(149.05643,1.1);(150.02805,2.6);(161.02138,1.4);(165.0538,4.0);(178.02553,16.12);(179.03117,1.3);(192.04134,1.7);(193.04922,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (120.0205,1.49);(148.0166,18.23);(149.02,1.95);(176.0119,100.0);(177.0153,10.84);(178.0171,1.0);(191.0352,6.55) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.03697,1.4);(65.03371,1.4);(66.04622,6.21);(67.04901,1.1);(68.99052,1.4);(77.03741,10.51);(78.0468,2.3);(79.02275,1.1);(81.03207,14.71);(82.04308,1.1);(89.04022,4.3);(91.05453,2.2);(93.03496,2.9);(94.04234,42.74);(95.04024,2.8);(105.02768,10.61);(109.02903,1.1);(112.53562,1.4);(119.69881,1.0);(121.02445,5.61);(122.03587,100.0);(123.03815,5.51);(133.02777,88.79);(134.03476,7.21);(137.0598,23.92);(149.02554,3.1);(150.03258,44.24);(151.03787,1.3);(152.0459,1.1);(161.01978,3.1);(165.04828,1.1);(178.02602,40.94);(179.02541,3.8);(193.05069,2.4) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (114.9452,2.76);(133.0268,20.99);(137.0554,5.83);(150.0296,1.79);(164.0445,3.88);(178.0242,9.19);(192.9619,1.94);(193.0483,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (148.0155,2.15);(176.0106,55.14);(177.0141,5.62);(191.034,100.0);(192.0374,12.02);(193.0392,1.11) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.04047,1.5);(81.03417,1.3);(94.03969,2.1);(122.03667,4.9);(133.02811,21.1);(134.02782,1.4);(137.05763,6.5);(149.06105,1.5);(150.03047,4.1);(151.03081,1.2);(165.0526,3.4);(178.02481,12.3);(193.04884,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (53.03697,1.4);(65.03371,1.4);(66.04622,6.2);(67.04901,1.1);(68.99052,1.4);(77.03741,10.5);(78.0468,2.3);(79.02275,1.1);(81.03207,14.7);(82.04308,1.1);(89.04022,4.3);(91.05453,2.2);(93.03496,2.9);(94.04234,42.7);(95.04024,2.8);(105.02768,10.6);(109.02903,1.1);(112.53562,1.4);(121.02445,5.6);(122.03587,100.0);(123.03815,5.5);(133.02777,88.8);(134.03476,7.2);(137.0598,23.9);(149.02554,3.1);(150.03258,44.2);(151.03787,1.3);(152.0459,1.1);(161.01978,3.1);(165.04828,1.1);(178.02602,40.9);(179.02541,3.8);(193.05069,2.4) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (66.02746,1.2);(66.0468,7.41);(68.99645,1.9);(77.03938,11.81);(79.0498,1.1);(81.03217,4.6);(89.03204,1.7);(93.03562,1.7);(94.04051,27.63);(95.04618,1.7);(105.03595,6.41);(107.04681,2.0);(121.03224,6.11);(122.03587,100.0);(123.02368,1.5);(133.02708,54.25);(134.03104,8.21);(137.05869,28.63);(138.06723,2.6);(149.06602,2.1);(150.02515,24.22);(151.03632,4.5);(161.02472,5.31);(178.02847,34.63);(179.03697,2.1);(180.04591,1.0);(193.04167,2.7) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (120.0217,91.39);(148.017,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (104.0269,100.0);(120.0223,84.08);(148.0136,44.54) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (66.04637,3.48);(77.04085,4.05);(81.03048,1.26);(89.03888,1.15);(94.03864,10.16);(105.03242,4.16);(117.03123,2.01);(122.03598,25.72);(133.02586,100.0);(134.03131,1.27);(137.05884,24.72);(149.05954,6.8);(150.03261,21.73);(165.05376,4.86);(178.02444,68.28);(193.04828,93.11) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.04005,1.2);(94.04057,2.2);(122.03503,6.4);(133.02768,21.5);(134.0304,1.8);(137.05925,8.7);(149.05643,1.1);(150.02805,2.6);(161.02138,1.4);(165.0538,4.0);(178.02553,16.1);(179.03117,1.3);(192.04134,1.7);(193.04922,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (104.0278,40.74);(105.0305,13.11);(120.022,81.68);(148.016,100.0);(176.011,77.88) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (104.0249,4.0);(120.0209,6.51);(148.016,40.04);(149.0216,4.3);(176.0116,100.0);(177.0145,12.01);(180.0096,2.6);(191.0384,3.4) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (133.02756,2.4);(193.04924,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (121.0234,38.4);(122.0315,65.16);(123.0349,9.43);(133.0252,33.13);(137.0567,13.92);(150.0299,100.0);(151.0329,12.52);(161.0229,28.88);(178.0263,24.13) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (176.00543,100.0);(177.01794,34.38);(191.03505,60.94) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (119.01575,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (121.023,9.4);(122.0309,48.75);(123.0349,4.68);(133.0249,37.48);(134.0292,5.75);(137.0566,17.14);(138.0602,2.4);(149.0216,2.53);(150.0295,100.0);(151.0326,10.03);(161.0224,16.39);(162.0268,1.81);(178.026,49.26);(179.0292,6.16);(180.0304,1.21);(193.0498,2.32) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02529,15.89);(120.02242,3.42);(148.01404,23.62);(149.02196,1.95);(176.00975,100.0);(177.01242,7.05);(178.02092,1.12);(191.03102,24.76) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02734,34.03);(120.01876,12.13);(148.01768,42.16);(176.01756,100.0);(191.03319,6.8) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.01913,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (102.9484,14.46);(104.0265,5.77);(117.7627,1.1);(120.0191,1.15);(146.9387,3.57);(148.0138,3.25);(149.0227,1.33);(165.7921,1.23);(176.012,100.0);(191.0356,29.08) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (92.02598,7.4);(104.02614,100.0);(105.02701,6.9);(120.02205,37.9);(147.00685,6.9);(148.01642,29.7);(176.01082,9.8) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02463,17.8);(120.0182,4.8);(148.01494,19.2);(149.01633,2.5);(173.9518,1.4);(176.00899,100.0);(177.01248,5.9);(191.02992,9.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (92.02544,10.0);(104.02599,100.0);(105.02988,4.2);(119.01167,6.3);(120.02254,35.5);(147.01212,4.4);(148.01225,33.6);(176.01707,8.8) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (148.01648,5.6);(176.01027,100.0);(177.01506,10.4);(178.02129,1.2);(191.03453,31.5) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (122.0312,2.52);(133.0252,35.83);(134.0289,3.37);(137.0568,10.92);(138.0602,1.08);(149.058,3.92);(150.0296,4.67);(161.0226,1.2);(165.0541,6.09);(178.0264,40.6);(179.0297,4.33);(193.0505,100.0);(194.0538,11.7);(195.0558,1.31) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02529,15.9);(120.02242,3.4);(148.01404,23.6);(149.02196,2.0);(176.00975,100.0);(177.01242,7.0);(178.02092,1.1);(191.03102,24.8) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (91.02183,100.0);(104.02675,52.6) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02509,17.1);(105.02884,2.2);(120.01927,6.8);(148.01443,25.3);(176.01013,100.0);(177.01329,14.1);(191.03545,16.5) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02602,2.2);(148.01364,5.1);(176.00967,100.0);(177.01326,11.5);(191.03313,36.7) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (121.0246,1.96);(122.0327,25.61);(123.0364,2.17);(133.0262,57.81);(134.0301,6.95);(137.0577,27.37);(138.0612,3.05);(149.0586,2.48);(150.0303,46.64);(151.034,5.31);(161.0228,3.45);(165.0542,2.2);(178.0264,100.0);(179.0298,10.92);(193.0504,19.42);(194.0541,2.85);(196.0366,1.47) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (102.9518,3.13);(107.0104,6.84);(108.0434,1.61);(113.9615,1.03);(115.0001,1.1);(116.0045,2.99);(116.9727,3.39);(118.9219,2.94);(122.0337,2.16);(133.0279,13.18);(133.9489,3.62);(135.0418,6.69);(137.0601,4.52);(138.0577,1.33);(147.4976,1.77);(148.0076,1.8);(148.9953,1.69);(150.0237,1.21);(150.9997,14.16);(152.9448,2.69);(153.9983,1.73);(155.0095,9.96);(165.0569,1.7);(166.0804,1.18);(178.0234,7.41);(192.0401,2.43);(193.0488,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02714,1.1);(148.01628,7.2);(176.00974,100.0);(177.01407,9.6);(178.01457,1.2);(191.03386,33.2) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.02587,100.0);(105.02745,15.8);(120.02168,53.6);(121.02346,10.0);(148.02013,14.8);(176.005,13.9) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (100.9345,5.8);(102.9486,6.52);(105.0297,10.31);(107.0094,25.04);(108.3214,1.16);(108.9557,3.52);(115.9998,4.25);(116.9745,6.14);(118.0325,2.49);(118.9245,10.2);(121.0285,1.68);(122.0348,25.86);(133.0273,100.0);(133.9112,1.94);(135.0439,37.03);(136.0614,5.31);(137.0598,18.11);(137.8179,1.18);(145.143,1.24);(145.7857,1.35);(149.0579,5.16);(150.0298,22.74);(151.0055,16.1);(152.9447,2.81);(155.0021,1.01);(161.0206,1.33);(164.044,3.21);(165.0538,5.77);(166.0829,2.34);(168.079,2.02);(168.9252,1.79);(177.0101,2.3);(178.0242,47.18);(179.4709,1.21);(189.9784,1.89);(191.0039,2.02);(192.0349,1.85);(193.049,65.82) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (133.0254,1.79);(178.0263,1.66);(193.0506,100.0);(194.0538,10.6);(195.0555,1.19) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (100.9608,5.42);(102.9504,7.45);(103.9928,4.8);(105.0323,19.4);(106.0674,11.04);(107.0488,100.0);(108.4899,7.94);(110.2526,3.69);(115.4239,2.53);(121.03,21.45);(122.0352,71.2);(126.1742,2.18);(133.0282,11.11);(135.0402,2.14);(137.0589,7.94);(139.5924,3.59);(143.6804,3.71);(149.0344,9.01);(150.0283,45.61);(151.0321,10.38);(152.628,2.29);(153.2211,2.54);(161.021,5.62);(166.073,7.78);(167.072,4.63);(172.4359,2.66);(173.9958,4.39);(178.0302,3.61) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (66.04072,67.5);(77.03671,13.8);(81.03458,60.2);(94.03918,100.0);(105.01833,31.7);(118.04584,17.9);(122.03249,37.4);(133.0256,42.3);(137.04736,23.6);(150.03493,35.8);(151.02753,18.7);(178.02477,32.5) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (77.04005,1.24);(94.04057,2.17);(122.03503,6.39);(133.02768,21.47);(134.0304,1.76);(137.05925,8.7);(149.05643,1.14);(150.02805,2.55);(161.02138,1.38);(165.0538,3.96);(178.02553,16.1);(179.03117,1.26);(192.04134,1.68);(193.04922,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (100.9383,4.43);(102.9485,10.24);(104.0257,100.0);(105.0294,17.1);(105.667,1.63);(108.024,3.84);(111.5758,4.1);(114.3289,7.48);(120.0204,15.58);(121.2669,3.61);(122.6335,2.55);(131.9142,3.86);(132.9058,2.54);(144.0138,2.04);(145.8792,6.27);(148.0193,7.29);(150.0561,2.89);(167.3978,4.16);(182.1361,1.7);(184.2591,5.8) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (65.03873,1.1);(66.04793,9.6);(68.99827,1.2);(77.04139,16.1);(78.04208,10.3);(79.01733,1.5);(81.03342,22.4);(89.0393,2.5);(91.05405,3.2);(94.04202,52.8);(95.0421,2.7);(105.02888,11.8);(106.03152,2.1);(107.04816,1.9);(117.02999,1.2);(121.02612,7.9);(122.03585,81.7);(123.04246,2.5);(133.02768,100.0);(134.03561,6.0);(137.05913,34.3);(138.05478,2.3);(147.0479,1.6);(149.02647,3.1);(150.03412,47.1);(151.03894,1.1);(152.03281,2.9);(161.02425,4.0);(178.02571,73.1);(179.01901,3.5);(180.02051,1.9);(193.04633,6.1) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (133.02658,1.4);(192.03809,1.1);(193.04881,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (100.9343,8.58);(101.9083,1.25);(102.9491,13.92);(104.0275,76.06);(105.0302,10.66);(108.023,3.65);(108.7862,1.97);(109.9049,1.6);(117.0342,2.73);(120.0228,26.34);(135.0392,3.19);(148.0175,74.74);(158.8654,1.02);(164.9043,3.82);(169.9987,1.37);(176.0132,100.0);(176.6589,1.2);(191.0495,1.9) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (104.0184,2.0);(137.0241,2.2);(148.0154,3.3);(176.0116,100.0);(177.0144,11.91);(191.0344,88.19);(192.0385,10.31) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (65.03873,1.1);(66.04793,9.61);(68.99827,1.2);(77.04139,16.12);(78.04208,10.31);(79.01733,1.5);(81.03342,22.42);(89.0393,2.5);(91.05405,3.2);(94.04202,52.75);(95.0421,2.7);(105.02888,11.81);(106.03152,2.1);(107.04816,1.9);(117.02999,1.2);(121.02612,7.91);(122.03585,81.68);(123.04246,2.5);(133.02768,100.0);(134.03561,6.01);(137.05913,34.33);(138.05478,2.3);(147.0479,1.6);(149.02647,3.1);(150.03412,47.15);(151.03894,1.1);(152.03281,2.9);(153.01244,1.0);(160.16533,1.0);(161.02425,4.0);(178.02571,73.07);(179.01901,3.5);(180.02051,1.9);(183.10767,1.0);(193.04633,6.11) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (133.02658,1.4);(178.02379,1.0);(192.03809,1.1);(193.04881,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (68.02999,19.5);(77.03308,39.1);(78.03326,56.3);(94.04236,32.2);(121.02348,27.6);(150.03415,100.0);(193.05183,40.2) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (94.04234,2.7);(105.03326,1.5);(122.03522,3.6);(133.02747,20.32);(134.03073,2.4);(137.05814,6.71);(149.05847,1.7);(150.03209,5.51);(165.05637,1.1);(178.0253,15.02);(179.03098,1.0);(192.0407,1.2);(193.04932,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (114.9455,12.33);(122.035,46.26);(133.0273,100.0);(137.0585,37.89);(148.9695,4.63);(149.0635,6.17);(150.0301,26.21);(165.0557,5.07);(178.0262,67.18);(193.0475,44.27) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.0258,3.23);(148.0168,4.96);(176.0111,100.0);(176.0486,2.73);(176.0694,1.06);(176.134,1.37);(191.0342,49.51) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (94.04234,2.7);(105.03326,1.5);(122.03522,3.6);(133.02747,20.3);(134.03073,2.4);(137.05814,6.7);(149.05847,1.7);(150.03209,5.5);(165.05637,1.1);(178.0253,15.0);(192.0407,1.2);(193.04932,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.0269,100.0);(104.0583,3.73);(104.1212,1.93);(119.0174,2.65);(120.0144,1.17);(120.0219,28.88);(120.0544,1.12);(148.0144,11.83);(171.8806,1.48);(176.0136,1.71) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (133.02756,2.4);(178.0255,1.0);(193.04924,100.0) | |
| LC-MS/MS | Not Available | Negative | Not Available | View Spectrum | (104.027,34.84);(120.021,9.84);(148.0164,39.4);(148.0512,1.3);(176.0105,100.0);(176.05,3.11);(176.0747,1.22);(176.1338,1.48);(191.037,1.28) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (17.03912516,0.0346472154);(31.01838972,0.0063970002);(43.01838972,0.0111053485);(44.99765427,0.028808716);(51.0234751,0.000075069);(55.01838972,0.0026301244);(57.03403978,0.0826061291);(67.01838972,0.0000088332);(77.03912516,0.0000078771);(81.03403978,0.0000040115);(91.01838972,0.0000617832);(93.03403978,0.0000502359);(95.01330434,0.0000040252);(95.04968984,0.0001693097);(99.04460446,0.0000592273);(107.0496898,0.0001277168);(116.9976543,0.0000535693);(119.0133043,0.0003349776);(119.0496898,0.0006203658);(121.0289544,0.0010408625);(123.0446045,0.00001095);(133.0289544,0.0006796394);(137.023869,0.0467280761);(145.0289544,0.0088467664);(149.023869,0.0000606891);(149.0602545,0.1999836097);(151.0395191,0.0214153677);(163.0395191,0.780719808);(175.0395191,1.152200696);(177.0187836,0.4969109598);(193.0500838,97.12363104) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (17.03912516,0.0122048719);(31.01838972,0.0263099035);(43.01838972,0.033814696);(44.99765427,0.0184590245);(51.0234751,0.051364166);(55.01838972,0.0112902707);(57.03403978,0.1657610516);(67.01838972,0.000590169);(77.03912516,0.0243418639);(81.03403978,0.0019719402);(91.01838972,0.0089110466);(93.03403978,0.0071137409);(95.01330434,0.0006354631);(95.04968984,0.0332936234);(99.04460446,0.0014098076);(107.0496898,0.022478895);(116.9976543,0.0004568234);(119.0133043,0.0043224538);(119.0496898,0.2919731183);(121.0289544,0.0439791189);(123.0446045,0.0354683357);(133.0289544,0.0604359768);(137.023869,0.197754177);(145.0289544,0.0684363305);(149.023869,0.0089313288);(149.0602545,7.468361833);(151.0395191,0.6372920818);(163.0395191,1.596315945);(175.0395191,2.946506734);(177.0187836,1.315273161);(193.0500838,84.90454205) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (17.03912516,0.1644275062);(31.01838972,0.1641795805);(43.01838972,0.2736599895);(44.99765427,0.6550224941);(51.0234751,1.276843605);(55.01838972,6.480503886);(57.03403978,0.590070571);(67.01838972,0.1677729259);(77.03912516,3.589146997);(81.03403978,0.1513102269);(91.01838972,0.750083933);(93.03403978,0.9379252302);(95.01330434,0.2528105852);(95.04968984,0.6214853993);(99.04460446,0.4372594159);(107.0496898,2.015345009);(116.9976543,0.6967649095);(119.0133043,1.50430396);(119.0496898,4.762642367);(121.0289544,2.488220631);(123.0446045,0.0985254596);(133.0289544,10.67631493);(137.023869,1.433623342);(145.0289544,8.857082314);(149.023869,0.3016631371);(149.0602545,9.758295632);(151.0395191,0.8925457756);(163.0395191,6.515808427);(175.0395191,13.63764635);(177.0187836,13.88973726);(193.0500838,5.95897815) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (15.0234751,0.0627697717);(29.00273965,0.0269507866);(41.00273965,0.2024752918);(53.00273965,0.0002704453);(55.01838972,0.0837230144);(65.00273965,0.0000131624);(67.01838972,0.000001375);(68.99765427,0.0000002163);(75.0234751,0.0018902707);(79.01838972,0.0000139522);(89.00273965,0.0003185882);(91.01838972,0.0027747982);(92.99765427,0.0001191155);(93.03403978,0.0006355465);(97.0289544,0.0010816861);(105.0340398,0.0021202131);(116.9976543,0.0000195909);(117.0340398,0.0260307371);(119.0133043,0.000524387);(121.0289544,0.0007885064);(123.008219,0.0000102848);(131.0133043,0.0471245438);(135.008219,0.067589786);(143.0133043,0.000395727);(147.0446045,9.846445756);(149.023869,0.0062669213);(161.023869,0.2872186168);(173.023869,0.0999342255);(175.0031336,0.9237889184);(191.0344337,88.30870377) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (15.0234751,0.1678573286);(29.00273965,0.0532320358);(41.00273965,0.2926187381);(53.00273965,0.0057546962);(55.01838972,0.2177312513);(65.00273965,0.0021012593);(67.01838972,0.0002118233);(68.99765427,0.0048645488);(75.0234751,0.0353551197);(79.01838972,0.0047766645);(89.00273965,0.0783776369);(91.01838972,0.1337442454);(92.99765427,0.0023850665);(93.03403978,0.0046833818);(97.0289544,0.0064423237);(105.0340398,0.1544463653);(116.9976543,0.004088104);(117.0340398,0.4859134149);(119.0133043,0.0697541368);(121.0289544,0.1312927446);(123.008219,0.0015483374);(131.0133043,1.861803196);(135.008219,1.137838687);(143.0133043,0.0174773689);(147.0446045,18.81392247);(149.023869,1.07608953);(161.023869,2.30226504);(173.023869,0.5400567329);(175.0031336,10.84151116);(191.0344337,61.5518566) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (15.0234751,0.2241270269);(29.00273965,0.2211825961);(41.00273965,5.936064991);(53.00273965,0.6718776051);(55.01838972,0.4347748687);(65.00273965,0.6629822466);(67.01838972,0.2052966554);(68.99765427,0.1937246799);(75.0234751,1.857480048);(79.01838972,1.975038094);(89.00273965,1.94933196);(91.01838972,2.815511372);(92.99765427,0.1405826838);(93.03403978,0.1019529156);(97.0289544,0.349117159);(105.0340398,7.158319218);(116.9976543,0.3804756296);(117.0340398,8.30684492);(119.0133043,4.309915755);(121.0289544,0.0423326572);(123.008219,0.2861277488);(131.0133043,19.67599357);(135.008219,2.478677147);(143.0133043,0.9174202298);(147.0446045,7.847750774);(149.023869,6.039459295);(161.023869,2.37576897);(173.023869,1.477193336);(175.0031336,18.61974991);(191.0344337,2.344925939) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (139.03897,7.25);(139.03897,7.25);(139.03897,7.25);(139.03897,7.25);(139.03897,7.25);(139.03897,7.25);(147.04406,6.37);(147.04406,6.37);(147.04406,6.37);(147.04406,6.37);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(165.05462,30.17);(175.03897,6.74);(175.03897,6.74);(175.03897,6.74);(175.03897,6.74);(175.03897,6.74);(175.03897,6.74);(175.03897,6.74);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0);(193.04954,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01784,11.61);(51.02293,17.67);(67.01784,10.3);(67.01784,10.3);(75.02293,18.81);(77.03858,30.01);(79.01784,25.36);(79.01784,25.36);(79.01784,25.36);(81.03349,14.29);(81.03349,14.29);(81.03349,14.29);(91.01784,17.21);(93.03349,39.2);(93.03349,39.2);(93.03349,39.2);(95.04914,7.31);(95.04914,7.31);(105.03349,20.61);(105.03349,20.61);(109.02841,15.6);(109.02841,15.6);(109.02841,15.6);(109.02841,15.6);(109.02841,15.6);(109.02841,15.6);(109.02841,15.6);(109.02841,15.6);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(123.04406,33.34);(139.03897,11.08);(139.03897,11.08);(139.03897,11.08);(139.03897,11.08);(139.03897,11.08);(139.03897,11.08);(147.00767,12.92);(147.00767,12.92);(147.00767,12.92);(147.00767,12.92);(147.00767,12.92);(147.04406,48.36);(147.04406,48.36);(147.04406,48.36);(147.04406,48.36);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.02332,30.89);(149.05971,56.69);(149.05971,56.69);(149.05971,56.69);(151.03897,12.98);(151.03897,12.98);(151.03897,12.98);(151.03897,12.98);(151.03897,12.98);(151.03897,12.98);(151.03897,12.98);(151.03897,12.98);(163.03897,11.46);(163.03897,11.46);(163.03897,11.46);(163.03897,11.46);(163.03897,11.46);(163.03897,11.46);(163.03897,11.46);(163.03897,11.46);(163.03897,11.46);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(165.05462,12.58);(175.03897,10.02);(175.03897,10.02);(175.03897,10.02);(175.03897,10.02);(175.03897,10.02);(175.03897,10.02);(175.03897,10.02) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (191.03498,100.0);(191.03498,100.0);(191.03498,100.0);(191.03498,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (161.02442,21.54);(161.02442,21.54);(161.02442,21.54);(161.02442,21.54);(161.02442,21.54);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(163.04007,24.19);(175.00368,42.21);(175.00368,42.21);(175.00368,42.21);(191.03498,100.0);(191.03498,100.0);(191.03498,100.0);(191.03498,100.0) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Roman camomile | Herbs and Spices | 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