Putrescine
precursor
Showing entry for Putrescine
Identification
- PhytoHub ID
- PHUB000781
- Name
- Putrescine
- Systematic Name
- Not Available
- Synonyms
- Butane-1,4-diamine
- Tetramethylenediamine
- CAS Number
- Not Available
- Average Mass
- 88.154
- Monoisotopic Mass
- 88.100048394
- Chemical Formula
- C4H12N2
- IUPAC Name
- butane-1,4-diamine
- InChI Key
- KIDHWZJUCRJVML-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
- SMILES
NCCCCN
- Structure
Structure for Putrescine
Calculated Properties
- Solubility (ALOGPS)
- 2.36e+02 g/l
- LogS (ALOGPS)
- 0.43
- LogP (ALOGPS)
- -0.98
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 3
- Polar Surface Area
- 52.04
- Refractivity
- 27.3786
- Polarizability
- 11.070241676529026
- Formal Charge
- 0
- Physiological Charge
- 2
- pKa (strongest basic)
- 10.505115467408618
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 17148
- PubChem
- 1045
- Chemistry Dashboard
- DTXSID4041107
- KNApSAcK
- C00001428
- MetaboLights
- MTBLC17148
- PeakForestCompound
- 000606
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amines
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Organonitrogen compounds
- Super-class
- Organic nitrogen compounds
- Sub-class
- Amines
- Direct Parent Name
- Monoalkylamines
- Alternative Parent Names
- ["Hydrocarbon derivatives", "Organopnictogen compounds"]
- External Descriptor Annotations
- ["Biogenic amines", "alkane-alpha,omega-diamine", "an aliphatic α,ω-diamine"]
- Substituent Names
- ["Aliphatic acyclic compound", "Hydrocarbon derivative", "Organopnictogen compound", "Primary aliphatic amine"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (82.0,0.001001001);(83.0,0.003003003);(84.0,0.011011011);(85.0,0.017017017);(86.0,0.2862862863);(87.0,0.036036036);(88.0,0.016016016);(89.0,0.001001001);(96.0,0.001001001);(97.0,0.004004004);(98.0,0.014014014);(99.0,0.042042042);(100.0,0.1511511512);(101.0,0.031031031);(102.0,0.024024024);(103.0,0.006006006);(104.0,0.002002002);(110.0,0.01001001);(111.0,0.002002002);(112.0,0.015015015);(113.0,0.013013013);(114.0,0.033033033);(115.0,0.017017017);(116.0,0.032032032);(117.0,0.026026026);(118.0,0.007007007);(119.0,0.002002002);(124.0,0.002002002);(125.0,0.002002002);(126.0,0.04004004);(127.0,0.007007007);(128.0,0.022022022);(129.0,0.009009009);(130.0,0.0910910911);(131.0,0.041041041);(132.0,0.021021021);(133.0,0.004004004);(134.0,0.001001001);(139.0,0.002002002);(140.0,0.014014014);(141.0,0.003003003);(142.0,0.038038038);(143.0,0.008008008);(144.0,0.012012012);(145.0,0.003003003);(146.0,0.0500500501);(147.0,0.009009009);(148.0,0.004004004);(156.0,0.004004004);(157.0,0.002002002);(158.0,0.011011011);(159.0,0.003003003);(160.0,0.006006006);(161.0,0.004004004);(162.0,0.001001001);(170.0,0.006006006);(171.0,0.003003003);(172.0,0.0750750751);(173.0,0.019019019);(174.0,1.0);(175.0,0.2012012012);(176.0,0.0940940941);(177.0,0.012012012);(178.0,0.002002002);(182.0,0.001001001);(184.0,0.003003003);(185.0,0.001001001);(186.0,0.009009009);(187.0,0.015015015);(188.0,0.009009009);(189.0,0.003003003);(190.0,0.001001001);(197.0,0.001001001);(198.0,0.003003003);(199.0,0.006006006);(200.0,0.0810810811);(201.0,0.019019019);(202.0,0.01001001);(203.0,0.002002002);(204.0,0.001001001);(213.0,0.003003003);(214.0,0.1161161161);(215.0,0.028028028);(216.0,0.012012012);(217.0,0.002002002);(218.0,0.001001001);(228.0,0.001001001);(361.0,0.002002002);(362.0,0.001001001) | |
| GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (85.0,0.013013013);(86.0,0.2132132132);(87.0,0.024024024);(88.0,0.011011011);(89.0,0.001001001);(96.0,0.001001001);(97.0,0.003003003);(98.0,0.01001001);(99.0,0.033033033);(100.0,0.1061061061);(101.0,0.019019019);(102.0,0.018018018);(103.0,0.004004004);(104.0,0.001001001);(110.0,0.007007007);(111.0,0.001001001);(112.0,0.012012012);(113.0,0.008008008);(114.0,0.024024024);(115.0,0.015015015);(116.0,0.024024024);(117.0,0.019019019);(118.0,0.005005005);(119.0,0.001001001);(124.0,0.002002002);(125.0,0.002002002);(126.0,0.03003003);(127.0,0.005005005);(128.0,0.018018018);(129.0,0.007007007);(130.0,0.0640640641);(131.0,0.029029029);(132.0,0.015015015);(133.0,0.003003003);(139.0,0.001001001);(140.0,0.01001001);(141.0,0.002002002);(142.0,0.034034034);(143.0,0.006006006);(144.0,0.009009009);(145.0,0.003003003);(146.0,0.037037037);(147.0,0.006006006);(148.0,0.002002002);(156.0,0.004004004);(157.0,0.001001001);(158.0,0.01001001);(159.0,0.002002002);(160.0,0.006006006);(161.0,0.005005005);(162.0,0.001001001);(170.0,0.004004004);(171.0,0.002002002);(172.0,0.0600600601);(173.0,0.016016016);(174.0,1.0);(175.0,0.1751751752);(176.0,0.0780780781);(177.0,0.009009009);(178.0,0.002002002);(184.0,0.002002002);(185.0,0.001001001);(186.0,0.006006006);(187.0,0.014014014);(188.0,0.007007007);(189.0,0.002002002);(190.0,0.001001001);(198.0,0.002002002);(199.0,0.004004004);(200.0,0.0500500501);(201.0,0.011011011);(202.0,0.005005005);(203.0,0.001001001);(213.0,0.002002002);(214.0,0.0680680681);(215.0,0.016016016);(216.0,0.007007007);(217.0,0.001001001);(218.0,0.001001001);(228.0,0.002002002);(361.0,0.009009009);(362.0,0.004004004);(363.0,0.002002002);(376.0,0.006006006);(377.0,0.003003003);(378.0,0.001001001) | |
| GC-MS | GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) | Positive | Not Available | View Spectrum | (60.0,0.022022022);(61.0,0.009009009);(69.0,0.001001001);(70.0,0.012012012);(71.0,0.012012012);(72.0,0.019019019);(73.0,1.0);(74.0,0.0930930931);(75.0,0.026026026);(76.0,0.001001001);(77.0,0.002002002);(82.0,0.001001001);(83.0,0.003003003);(84.0,0.009009009);(85.0,0.015015015);(86.0,0.2502502503);(87.0,0.027027027);(88.0,0.012012012);(89.0,0.001001001);(96.0,0.001001001);(97.0,0.004004004);(98.0,0.011011011);(99.0,0.043043043);(100.0,0.1241241241);(101.0,0.023023023);(102.0,0.02002002);(103.0,0.005005005);(104.0,0.001001001);(110.0,0.009009009);(111.0,0.002002002);(112.0,0.014014014);(113.0,0.01001001);(114.0,0.031031031);(115.0,0.016016016);(116.0,0.028028028);(117.0,0.023023023);(118.0,0.006006006);(119.0,0.001001001);(124.0,0.002002002);(125.0,0.002002002);(126.0,0.037037037);(127.0,0.005005005);(128.0,0.021021021);(129.0,0.008008008);(130.0,0.0720720721);(131.0,0.034034034);(132.0,0.016016016);(133.0,0.003003003);(134.0,0.001001001);(139.0,0.002002002);(140.0,0.012012012);(141.0,0.002002002);(142.0,0.035035035);(143.0,0.006006006);(144.0,0.009009009);(145.0,0.002002002);(146.0,0.038038038);(147.0,0.006006006);(148.0,0.003003003);(156.0,0.003003003);(157.0,0.001001001);(158.0,0.01001001);(159.0,0.002002002);(160.0,0.005005005);(161.0,0.004004004);(162.0,0.001001001);(170.0,0.003003003);(171.0,0.001001001);(172.0,0.042042042);(173.0,0.011011011);(174.0,0.6966966967);(175.0,0.1381381381);(176.0,0.0660660661);(177.0,0.008008008);(178.0,0.001001001);(184.0,0.001001001);(186.0,0.005005005);(187.0,0.012012012);(188.0,0.006006006);(189.0,0.002002002);(198.0,0.002002002);(199.0,0.004004004);(200.0,0.0520520521);(201.0,0.012012012);(202.0,0.006006006);(203.0,0.001001001);(213.0,0.002002002);(214.0,0.0870870871);(215.0,0.02002002);(216.0,0.008008008);(217.0,0.001001001);(218.0,0.001001001);(228.0,0.003003003);(273.0,0.001001001);(361.0,0.016016016);(362.0,0.006006006);(363.0,0.003003003);(376.0,0.01001001);(377.0,0.004004004);(378.0,0.002002002) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,1.0);(71.0,0.061);(72.0,0.045);(76.0,0.003);(84.0,0.025);(85.0,0.016);(86.0,0.632);(87.0,0.06);(88.0,0.014);(90.0,0.023);(91.0,0.002);(92.0,0.001);(97.0,0.001);(98.0,0.024);(99.0,0.022);(100.0,0.344);(101.0,0.045);(102.0,0.031);(109.0,0.0);(112.0,0.005);(113.0,0.004);(114.0,0.028);(115.0,0.015);(116.0,0.032);(117.0,0.022);(118.0,0.004);(126.0,0.001);(127.0,0.0);(128.0,0.096);(129.0,0.021);(130.0,0.109);(131.0,0.028);(132.0,0.019);(133.0,0.002);(135.0,0.001);(140.0,0.002);(142.0,0.123);(143.0,0.028);(144.0,0.002);(146.0,0.118);(154.0,0.0);(158.0,0.001);(159.0,0.03);(161.0,0.001);(162.0,0.0);(167.0,0.0);(170.0,0.001);(172.0,0.035);(173.0,0.003);(174.0,0.682);(175.0,0.126);(176.0,0.052);(177.0,0.001);(178.0,0.0);(188.0,0.0);(189.0,0.0);(193.0,0.001);(196.0,0.001);(217.0,0.039);(218.0,0.001);(219.0,0.002);(232.0,0.001);(255.0,0.0);(329.0,0.002);(348.0,0.001);(355.0,0.0);(373.0,0.001);(394.0,0.0);(412.0,0.001);(432.0,0.0);(438.0,0.002);(448.0,0.0);(470.0,0.001);(471.0,0.0);(483.0,0.001);(487.0,0.0);(491.0,0.001);(499.0,0.003);(511.0,0.0);(512.0,0.0);(521.0,0.001);(529.0,0.001);(532.0,0.0) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.202);(71.0,0.24);(84.0,0.016);(85.0,0.132);(86.0,0.325);(87.0,0.067);(88.0,0.024);(89.0,0.031);(98.0,0.03);(99.0,0.079);(101.0,0.115);(102.0,0.21);(103.0,0.034);(104.0,0.011);(112.0,0.034);(113.0,0.027);(114.0,0.036);(115.0,0.207);(116.0,0.109);(117.0,0.136);(118.0,0.026);(126.0,0.026);(127.0,0.019);(128.0,0.067);(129.0,0.065);(130.0,0.101);(131.0,0.059);(132.0,0.067);(133.0,0.029);(137.0,0.012);(141.0,0.021);(142.0,0.409);(143.0,0.088);(144.0,0.025);(146.0,0.135);(158.0,0.009);(161.0,0.014);(162.0,0.027);(172.0,0.05);(174.0,1.0);(175.0,0.197);(176.0,0.089);(177.0,0.012);(189.0,0.013);(200.0,0.016);(201.0,0.01);(231.0,0.008);(289.0,0.036);(290.0,0.013);(291.0,0.008);(304.0,0.02) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (86.0,0.199);(87.0,0.021);(88.0,0.01);(98.0,0.012);(99.0,0.03);(100.0,0.106);(101.0,0.019);(102.0,0.015);(110.0,0.009);(112.0,0.013);(113.0,0.01);(114.0,0.023);(115.0,0.013);(116.0,0.024);(117.0,0.023);(124.0,0.002);(126.0,0.029);(128.0,0.016);(130.0,0.066);(131.0,0.03);(132.0,0.014);(140.0,0.011);(142.0,0.03);(143.0,0.007);(144.0,0.01);(146.0,0.039);(156.0,0.006);(158.0,0.011);(160.0,0.006);(161.0,0.005);(170.0,0.005);(171.0,0.004);(172.0,0.061);(173.0,0.018);(174.0,1.0);(175.0,0.182);(176.0,0.083);(177.0,0.01);(178.0,0.003);(186.0,0.008);(187.0,0.013);(188.0,0.008);(198.0,0.004);(200.0,0.059);(201.0,0.012);(202.0,0.01);(203.0,0.002);(214.0,0.092);(215.0,0.021);(216.0,0.009);(228.0,0.003);(361.0,0.014);(362.0,0.006);(363.0,0.004);(376.0,0.007);(377.0,0.004) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (14.0,1.5);(15.0,1.7);(16.0,1.0);(17.0,0.2);(18.0,8.3);(26.0,1.2);(27.0,5.0);(28.0,2.41);(30.0,99.99);(31.0,10.9);(32.0,1.6);(39.0,0.3);(40.0,1.2);(41.0,6.9);(42.0,8.0);(43.0,3.3);(44.0,5.8);(45.0,9.3);(54.0,1.0);(56.0,0.2);(59.0,8.6);(70.0,3.5);(71.0,2.2);(88.0,2.0) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (15.0,1.47);(18.0,7.66);(27.0,2.36);(28.0,11.16);(29.0,1.56);(30.0,99.99);(31.0,10.4);(39.0,1.94);(41.0,4.68);(42.0,5.44);(43.0,32.59);(44.0,10.41);(56.0,2.18);(58.0,1.28);(59.0,12.68);(70.0,3.45);(71.0,7.14);(88.0,1.76) | |
| GC-MS | CI-B | positive | Not Available | View Spectrum | (70.0,5.86);(71.0,3.36);(73.0,99.99);(74.0,2.86);(84.0,0.74);(88.0,1.11);(89.0,20.85);(90.0,1.08);(110.0,0.59);(112.0,0.93);(114.0,1.22) | |
| GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (82.0,0.1001);(83.0,0.3003);(84.0,1.101101);(85.0,1.701702);(86.0,28.628629);(87.0,3.603604);(88.0,1.601602);(89.0,0.1001);(96.0,0.1001);(97.0,0.4004);(98.0,1.401401);(99.0,4.204204);(100.0,15.115115);(101.0,3.103103);(102.0,2.402402);(103.0,0.600601);(104.0,0.2002);(110.0,1.001001);(111.0,0.2002);(112.0,1.501502);(113.0,1.301301);(114.0,3.303303);(115.0,1.701702);(116.0,3.203203);(117.0,2.602603);(118.0,0.700701);(119.0,0.2002);(124.0,0.2002);(125.0,0.2002);(126.0,4.004004);(127.0,0.700701);(128.0,2.202202);(129.0,0.900901);(130.0,9.109109);(131.0,4.104104);(132.0,2.102102);(133.0,0.4004);(134.0,0.1001);(139.0,0.2002);(140.0,1.401401);(141.0,0.3003);(142.0,3.803804);(143.0,0.800801);(144.0,1.201201);(145.0,0.3003);(146.0,5.005005);(147.0,0.900901);(148.0,0.4004);(156.0,0.4004);(157.0,0.2002);(158.0,1.101101);(159.0,0.3003);(160.0,0.600601);(161.0,0.4004);(162.0,0.1001);(170.0,0.600601);(171.0,0.3003);(172.0,7.507508);(173.0,1.901902);(174.0,100.0);(175.0,20.12012);(176.0,9.409409);(177.0,1.201201);(178.0,0.2002);(182.0,0.1001);(184.0,0.3003);(185.0,0.1001);(186.0,0.900901);(187.0,1.501502);(188.0,0.900901);(189.0,0.3003);(190.0,0.1001);(197.0,0.1001);(198.0,0.3003);(199.0,0.600601);(200.0,8.108108);(201.0,1.901902);(202.0,1.001001);(203.0,0.2002);(204.0,0.1001);(213.0,0.3003);(214.0,11.611612);(215.0,2.802803);(216.0,1.201201);(217.0,0.2002);(218.0,0.1001);(228.0,0.1001);(361.0,0.2002);(362.0,0.1001) | |
| GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,1.301301);(86.0,21.321321);(87.0,2.402402);(88.0,1.101101);(89.0,0.1001);(96.0,0.1001);(97.0,0.3003);(98.0,1.001001);(99.0,3.303303);(100.0,10.610611);(101.0,1.901902);(102.0,1.801802);(103.0,0.4004);(104.0,0.1001);(110.0,0.700701);(111.0,0.1001);(112.0,1.201201);(113.0,0.800801);(114.0,2.402402);(115.0,1.501502);(116.0,2.402402);(117.0,1.901902);(118.0,0.500501);(119.0,0.1001);(124.0,0.2002);(125.0,0.2002);(126.0,3.003003);(127.0,0.500501);(128.0,1.801802);(129.0,0.700701);(130.0,6.406406);(131.0,2.902903);(132.0,1.501502);(133.0,0.3003);(139.0,0.1001);(140.0,1.001001);(141.0,0.2002);(142.0,3.403403);(143.0,0.600601);(144.0,0.900901);(145.0,0.3003);(146.0,3.703704);(147.0,0.600601);(148.0,0.2002);(156.0,0.4004);(157.0,0.1001);(158.0,1.001001);(159.0,0.2002);(160.0,0.600601);(161.0,0.500501);(162.0,0.1001);(170.0,0.4004);(171.0,0.2002);(172.0,6.006006);(173.0,1.601602);(174.0,100.0);(175.0,17.517518);(176.0,7.807808);(177.0,0.900901);(178.0,0.2002);(184.0,0.2002);(185.0,0.1001);(186.0,0.600601);(187.0,1.401401);(188.0,0.700701);(189.0,0.2002);(190.0,0.1001);(198.0,0.2002);(199.0,0.4004);(200.0,5.005005);(201.0,1.101101);(202.0,0.500501);(203.0,0.1001);(213.0,0.2002);(214.0,6.806807);(215.0,1.601602);(216.0,0.700701);(217.0,0.1001);(218.0,0.1001);(228.0,0.2002);(361.0,0.900901);(362.0,0.4004);(363.0,0.2002);(376.0,0.600601);(377.0,0.3003);(378.0,0.1001) | |
| GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (60.0,2.202202);(61.0,0.900901);(69.0,0.1001);(70.0,1.201201);(71.0,1.201201);(72.0,1.901902);(73.0,100.0);(74.0,9.309309);(75.0,2.602603);(76.0,0.1001);(77.0,0.2002);(82.0,0.1001);(83.0,0.3003);(84.0,0.900901);(85.0,1.501502);(86.0,25.025025);(87.0,2.702703);(88.0,1.201201);(89.0,0.1001);(96.0,0.1001);(97.0,0.4004);(98.0,1.101101);(99.0,4.304304);(100.0,12.412412);(101.0,2.302302);(102.0,2.002002);(103.0,0.500501);(104.0,0.1001);(110.0,0.900901);(111.0,0.2002);(112.0,1.401401);(113.0,1.001001);(114.0,3.103103);(115.0,1.601602);(116.0,2.802803);(117.0,2.302302);(118.0,0.600601);(119.0,0.1001);(124.0,0.2002);(125.0,0.2002);(126.0,3.703704);(127.0,0.500501);(128.0,2.102102);(129.0,0.800801);(130.0,7.207207);(131.0,3.403403);(132.0,1.601602);(133.0,0.3003);(134.0,0.1001);(139.0,0.2002);(140.0,1.201201);(141.0,0.2002);(142.0,3.503504);(143.0,0.600601);(144.0,0.900901);(145.0,0.2002);(146.0,3.803804);(147.0,0.600601);(148.0,0.3003);(156.0,0.3003);(157.0,0.1001);(158.0,1.001001);(159.0,0.2002);(160.0,0.500501);(161.0,0.4004);(162.0,0.1001);(170.0,0.3003);(171.0,0.1001);(172.0,4.204204);(173.0,1.101101);(174.0,69.66967);(175.0,13.813814);(176.0,6.606607);(177.0,0.800801);(178.0,0.1001);(184.0,0.1001);(186.0,0.500501);(187.0,1.201201);(188.0,0.600601);(189.0,0.2002);(198.0,0.2002);(199.0,0.4004);(200.0,5.205205);(201.0,1.201201);(202.0,0.600601);(203.0,0.1001);(213.0,0.2002);(214.0,8.708709);(215.0,2.002002);(216.0,0.800801);(217.0,0.1001);(218.0,0.1001);(228.0,0.3003);(273.0,0.1001);(361.0,1.601602);(362.0,0.600601);(363.0,0.3003);(376.0,1.001001);(377.0,0.4004);(378.0,0.2002) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,1.0);(71.0,0.061);(72.0,0.045);(76.0,0.003);(84.0,0.025);(85.0,0.016);(86.0,0.632);(87.0,0.06);(88.0,0.014);(90.0,0.023);(91.0,0.002);(92.0,0.001);(97.0,0.001);(98.0,0.024);(99.0,0.022);(100.0,0.344);(101.0,0.045);(102.0,0.031);(109.0,0.0);(112.0,0.005);(113.0,0.004);(114.0,0.028);(115.0,0.015);(116.0,0.032);(117.0,0.022);(118.0,0.004);(126.0,0.001);(127.0,0.0);(128.0,0.096);(129.0,0.021);(130.0,0.109);(131.0,0.028);(132.0,0.019);(133.0,0.002);(135.0,0.001);(140.0,0.002);(142.0,0.123);(143.0,0.028);(144.0,0.002);(146.0,0.118);(154.0,0.0);(158.0,0.001);(159.0,0.03);(161.0,0.001);(162.0,0.0);(167.0,0.0);(170.0,0.001);(172.0,0.035);(173.0,0.003);(174.0,0.682);(175.0,0.126);(176.0,0.052);(177.0,0.001);(178.0,0.0);(188.0,0.0);(189.0,0.0);(193.0,0.001);(196.0,0.001);(217.0,0.039);(218.0,0.001);(219.0,0.002);(232.0,0.001);(255.0,0.0);(329.0,0.002);(348.0,0.001);(355.0,0.0);(373.0,0.001);(394.0,0.0);(412.0,0.001);(432.0,0.0);(438.0,0.002);(448.0,0.0);(470.0,0.001);(471.0,0.0);(483.0,0.001);(487.0,0.0);(491.0,0.001);(499.0,0.003);(511.0,0.0);(512.0,0.0);(521.0,0.001);(529.0,0.001);(532.0,0.0) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.202);(71.0,0.24);(84.0,0.016);(85.0,0.132);(86.0,0.325);(87.0,0.067);(88.0,0.024);(89.0,0.031);(98.0,0.03);(99.0,0.079);(101.0,0.115);(102.0,0.21);(103.0,0.034);(104.0,0.011);(112.0,0.034);(113.0,0.027);(114.0,0.036);(115.0,0.207);(116.0,0.109);(117.0,0.136);(118.0,0.026);(126.0,0.026);(127.0,0.019);(128.0,0.067);(129.0,0.065);(130.0,0.101);(131.0,0.059);(132.0,0.067);(133.0,0.029);(137.0,0.012);(141.0,0.021);(142.0,0.409);(143.0,0.088);(144.0,0.025);(146.0,0.135);(158.0,0.009);(161.0,0.014);(162.0,0.027);(172.0,0.05);(174.0,1.0);(175.0,0.197);(176.0,0.089);(177.0,0.012);(189.0,0.013);(200.0,0.016);(201.0,0.01);(231.0,0.008);(289.0,0.036);(290.0,0.013);(291.0,0.008);(304.0,0.02) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (86.0,0.199);(87.0,0.021);(88.0,0.01);(98.0,0.012);(99.0,0.03);(100.0,0.106);(101.0,0.019);(102.0,0.015);(110.0,0.009);(112.0,0.013);(113.0,0.01);(114.0,0.023);(115.0,0.013);(116.0,0.024);(117.0,0.023);(124.0,0.002);(126.0,0.029);(128.0,0.016);(130.0,0.066);(131.0,0.03);(132.0,0.014);(140.0,0.011);(142.0,0.03);(143.0,0.007);(144.0,0.01);(146.0,0.039);(156.0,0.006);(158.0,0.011);(160.0,0.006);(161.0,0.005);(170.0,0.005);(171.0,0.004);(172.0,0.061);(173.0,0.018);(174.0,1.0);(175.0,0.182);(176.0,0.083);(177.0,0.01);(178.0,0.003);(186.0,0.008);(187.0,0.013);(188.0,0.008);(198.0,0.004);(200.0,0.059);(201.0,0.012);(202.0,0.01);(203.0,0.002);(214.0,0.092);(215.0,0.021);(216.0,0.009);(228.0,0.003);(361.0,0.014);(362.0,0.006);(363.0,0.004);(376.0,0.007);(377.0,0.004) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,1.0);(71.0,0.061);(72.0,0.045);(76.0,0.003);(84.0,0.025);(85.0,0.016);(86.0,0.632);(87.0,0.06);(88.0,0.014);(90.0,0.023);(91.0,0.002);(92.0,0.001);(97.0,0.001);(98.0,0.024);(99.0,0.022);(100.0,0.344);(101.0,0.045);(102.0,0.031);(109.0,0.0);(112.0,0.005);(113.0,0.004);(114.0,0.028);(115.0,0.015);(116.0,0.032);(117.0,0.022);(118.0,0.004);(126.0,0.001);(127.0,0.0);(128.0,0.096);(129.0,0.021);(130.0,0.109);(131.0,0.028);(132.0,0.019);(133.0,0.002);(135.0,0.001);(140.0,0.002);(142.0,0.123);(143.0,0.028);(144.0,0.002);(146.0,0.118);(154.0,0.0);(158.0,0.001);(159.0,0.03);(161.0,0.001);(162.0,0.0);(167.0,0.0);(170.0,0.001);(172.0,0.035);(173.0,0.003);(174.0,0.682);(175.0,0.126);(176.0,0.052);(177.0,0.001);(178.0,0.0);(188.0,0.0);(189.0,0.0);(193.0,0.001);(196.0,0.001);(217.0,0.039);(218.0,0.001);(219.0,0.002);(232.0,0.001);(255.0,0.0);(329.0,0.002);(348.0,0.001);(355.0,0.0);(373.0,0.001);(394.0,0.0);(412.0,0.001);(432.0,0.0);(438.0,0.002);(448.0,0.0);(470.0,0.001);(471.0,0.0);(483.0,0.001);(487.0,0.0);(491.0,0.001);(499.0,0.003);(511.0,0.0);(512.0,0.0);(521.0,0.001);(529.0,0.001);(532.0,0.0) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (70.0,0.202);(71.0,0.24);(84.0,0.016);(85.0,0.132);(86.0,0.325);(87.0,0.067);(88.0,0.024);(89.0,0.031);(98.0,0.03);(99.0,0.079);(101.0,0.115);(102.0,0.21);(103.0,0.034);(104.0,0.011);(112.0,0.034);(113.0,0.027);(114.0,0.036);(115.0,0.207);(116.0,0.109);(117.0,0.136);(118.0,0.026);(126.0,0.026);(127.0,0.019);(128.0,0.067);(129.0,0.065);(130.0,0.101);(131.0,0.059);(132.0,0.067);(133.0,0.029);(137.0,0.012);(141.0,0.021);(142.0,0.409);(143.0,0.088);(144.0,0.025);(146.0,0.135);(158.0,0.009);(161.0,0.014);(162.0,0.027);(172.0,0.05);(174.0,1.0);(175.0,0.197);(176.0,0.089);(177.0,0.012);(189.0,0.013);(200.0,0.016);(201.0,0.01);(231.0,0.008);(289.0,0.036);(290.0,0.013);(291.0,0.008);(304.0,0.02) | |
| GC-MS | GC-MS | Not Available | Not Available | View Spectrum | (86.0,0.199);(87.0,0.021);(88.0,0.01);(98.0,0.012);(99.0,0.03);(100.0,0.106);(101.0,0.019);(102.0,0.015);(110.0,0.009);(112.0,0.013);(113.0,0.01);(114.0,0.023);(115.0,0.013);(116.0,0.024);(117.0,0.023);(124.0,0.002);(126.0,0.029);(128.0,0.016);(130.0,0.066);(131.0,0.03);(132.0,0.014);(140.0,0.011);(142.0,0.03);(143.0,0.007);(144.0,0.01);(146.0,0.039);(156.0,0.006);(158.0,0.011);(160.0,0.006);(161.0,0.005);(170.0,0.005);(171.0,0.004);(172.0,0.061);(173.0,0.018);(174.0,1.0);(175.0,0.182);(176.0,0.083);(177.0,0.01);(178.0,0.003);(186.0,0.008);(187.0,0.013);(188.0,0.008);(198.0,0.004);(200.0,0.059);(201.0,0.012);(202.0,0.01);(203.0,0.002);(214.0,0.092);(215.0,0.021);(216.0,0.009);(228.0,0.003);(361.0,0.014);(362.0,0.006);(363.0,0.004);(376.0,0.007);(377.0,0.004) | |
| GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,1.301301);(86.0,41.441441);(87.0,4.604605);(88.0,1.801802);(89.0,0.2002);(95.0,0.1001);(96.0,0.2002);(97.0,0.4004);(98.0,0.800801);(99.0,2.102102);(100.0,20.620621);(101.0,2.802803);(102.0,3.203203);(103.0,1.201201);(104.0,0.2002);(105.0,0.3003);(110.0,0.2002);(112.0,1.001001);(113.0,0.900901);(114.0,1.301301);(115.0,1.601602);(116.0,2.002002);(117.0,2.802803);(118.0,0.500501);(119.0,0.600601);(126.0,0.900901);(127.0,0.800801);(128.0,8.408408);(129.0,1.501502);(130.0,5.405405);(131.0,6.806807);(132.0,2.002002);(133.0,5.205205);(134.0,0.700701);(135.0,0.3003);(140.0,0.4004);(141.0,0.2002);(142.0,5.705706);(143.0,0.900901);(144.0,1.001001);(145.0,0.3003);(146.0,2.002002);(147.0,18.718719);(148.0,3.403403);(149.0,1.701702);(150.0,0.1001);(155.0,0.1001);(156.0,0.3003);(157.0,0.1001);(158.0,3.703704);(159.0,0.600601);(160.0,0.900901);(161.0,0.3003);(162.0,0.4004);(163.0,0.2002);(169.0,0.900901);(170.0,0.4004);(171.0,0.1001);(172.0,2.102102);(173.0,0.600601);(174.0,100.0);(175.0,16.216216);(176.0,7.207207);(177.0,0.800801);(178.0,0.1001);(184.0,0.1001);(185.0,0.1001);(186.0,0.500501);(187.0,0.1001);(188.0,0.3003);(189.0,0.1001);(190.0,0.700701);(191.0,0.1001);(200.0,0.500501);(201.0,3.903904);(202.0,1.101101);(203.0,0.800801);(204.0,0.2002);(205.0,0.1001);(206.0,0.1001);(214.0,0.4004);(215.0,0.1001);(216.0,1.101101);(217.0,0.2002);(218.0,0.800801);(219.0,0.1001);(221.0,0.1001);(230.0,0.1001);(231.0,0.1001);(232.0,0.1001);(233.0,0.4004);(243.0,0.4004);(244.0,0.1001);(246.0,0.2002);(248.0,0.2002);(257.0,1.201201);(258.0,0.3003);(259.0,0.1001);(260.0,0.1001);(346.0,0.1001);(347.0,3.403403);(348.0,1.301301);(349.0,0.600601);(350.0,0.1001);(404.0,0.1001);(405.0,1.901902);(406.0,1.001001);(407.0,0.500501);(408.0,0.1001) | |
| GC-MS | GC-EI-TOF | positive | Not Available | View Spectrum | (85.0,2.002002);(86.0,34.234234);(87.0,3.903904);(88.0,1.601602);(89.0,0.1001);(96.0,0.1001);(97.0,0.4004);(98.0,1.501502);(99.0,4.604605);(100.0,17.517518);(101.0,3.003003);(102.0,2.302302);(103.0,0.500501);(104.0,0.1001);(110.0,0.900901);(111.0,0.2002);(112.0,1.601602);(113.0,1.201201);(114.0,3.103103);(115.0,1.701702);(116.0,3.203203);(117.0,2.502503);(118.0,0.600601);(119.0,0.1001);(124.0,0.2002);(125.0,0.2002);(126.0,3.903904);(127.0,0.600601);(128.0,2.002002);(129.0,0.800801);(130.0,8.608609);(131.0,3.703704);(132.0,1.801802);(133.0,0.3003);(139.0,0.1001);(140.0,1.201201);(141.0,0.2002);(142.0,3.503504);(143.0,0.600601);(144.0,1.101101);(145.0,0.2002);(146.0,4.204204);(147.0,0.600601);(148.0,0.2002);(156.0,0.4004);(157.0,0.1001);(158.0,1.201201);(159.0,0.2002);(160.0,0.500501);(161.0,0.4004);(162.0,0.1001);(170.0,0.600601);(171.0,0.2002);(172.0,7.607608);(173.0,1.801802);(174.0,100.0);(175.0,18.518519);(176.0,8.108108);(177.0,0.900901);(178.0,0.1001);(184.0,0.2002);(185.0,0.1001);(186.0,0.700701);(187.0,1.301301);(188.0,0.700701);(189.0,0.2002);(198.0,0.2002);(199.0,0.4004);(200.0,5.605606);(201.0,1.201201);(202.0,0.600601);(203.0,0.1001);(213.0,0.2002);(214.0,7.407407);(215.0,1.701702);(216.0,0.700701);(217.0,0.1001);(228.0,0.1001);(361.0,0.700701);(362.0,0.3003);(363.0,0.1001);(376.0,0.2002);(377.0,0.1001) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (27.02292522,1.644594098);(28.01817382,1.617984515);(29.02599842,2.209402118);(29.03857442,0.4253061311);(30.03382302,54.88016612);(31.0357899,0.8490221594);(31.04164762,2.793144263);(32.04947222,2.28178968);(41.03857442,0.5140991256);(43.04164762,3.17026222);(44.04421827,0.0850087196);(44.04947222,5.274911331);(45.05206349,0.1422350049);(45.05729682,1.52703244);(46.06512142,1.159370193);(57.05729682,2.585572973);(58.06012581,0.0990490975);(58.06512142,4.198584131);(59.06796386,0.1614708149);(59.07294602,1.455764245);(60.07580181,0.0562047565);(60.08077062,0.8844959329);(71.07294602,1.166654357);(72.07591411,0.0581021124);(72.08077062,1.312795098);(73.08374865,0.0655772115);(86.08384382,0.3218728576);(87.09166842,2.05052797);(88.09424941,0.1102750319);(88.09949302,6.545721904);(89.10208429,0.3530033887) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (29.02599842,2.779487994);(30.03382302,54.51397424);(31.04164762,2.75337479);(32.04947222,2.77580939);(43.04164762,3.124936208);(44.04947222,5.199595195);(58.06512142,4.023119054);(88.09949302,6.407343588) | |
| LC-MS/MS | Quattro_QQQ | Positive | low | View Spectrum | (72.141,100.0);(89.1,4.985) | |
| LC-MS/MS | Quattro_QQQ | Positive | med | View Spectrum | (44.261,7.552);(55.207,15.365);(72.087,100.0);(88.21,3.95);(89.084,19.618) | |
| LC-MS/MS | Quattro_QQQ | Positive | high | View Spectrum | (41.364,13.72);(42.356,27.744);(43.425,14.482);(44.339,28.963);(55.254,16.159);(70.338,16.921);(71.29,36.433);(72.18,100.0);(86.929,12.957);(87.874,25.0);(89.131,64.024) | |
| LC-MS/MS | EI-B (HITACHI RMU-6L) | Positive | Not Available | View Spectrum | (14.0,0.015015015);(15.0,0.017017017);(16.0,0.01001001);(17.0,0.002002002);(18.0,0.0830830831);(26.0,0.012012012);(27.0,0.0500500501);(28.0,0.024024024);(30.0,1.0);(31.0,0.1091091091);(32.0,0.016016016);(39.0,0.003003003);(40.0,0.012012012);(41.0,0.0690690691);(42.0,0.0800800801);(43.0,0.033033033);(44.0,0.0580580581);(45.0,0.0930930931);(54.0,0.01001001);(56.0,0.002002002);(59.0,0.0860860861);(70.0,0.035035035);(71.0,0.022022022);(88.0,0.02002002) | |
| LC-MS/MS | EI-B (HITACHI RMU-6M) | Positive | Not Available | View Spectrum | (15.0,0.015015015);(18.0,0.0770770771);(27.0,0.024024024);(28.0,0.1121121121);(29.0,0.016016016);(30.0,1.0);(31.0,0.1041041041);(39.0,0.019019019);(41.0,0.047047047);(42.0,0.0540540541);(43.0,0.3263263263);(44.0,0.1041041041);(56.0,0.022022022);(58.0,0.013013013);(59.0,0.1271271271);(70.0,0.035035035);(71.0,0.0710710711);(88.0,0.018018018) | |
| LC-MS/MS | CI-B (HITACHI M-80) | Positive | Not Available | View Spectrum | (70.0,0.0590590591);(71.0,0.034034034);(73.0,1.0);(74.0,0.029029029);(84.0,0.007007007);(88.0,0.011011011);(89.0,0.2092092092);(90.0,0.011011011);(110.0,0.006006006);(112.0,0.009009009);(114.0,0.012012012) | |
| LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (39.0,0.001001001);(54.9,0.001001001);(72.1,1.0);(89.1,0.5875875876) | |
| LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (43.2,0.001001001);(55.0,0.003003003);(72.1,1.0);(89.0,0.003003003) | |
| LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (30.3,0.014014014);(39.1,0.002002002);(41.5,0.002002002);(43.9,0.009009009);(45.3,0.001001001);(55.2,0.0500500501);(72.0,1.0) | |
| LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (30.3,0.1581581582);(42.8,0.018018018);(43.7,0.041041041);(55.0,0.1451451451);(56.2,0.009009009);(72.2,1.0);(918.8,0.009009009) | |
| LC-MS/MS | LC-ESI-QQ (API3000, Applied Biosystems) | Positive | Not Available | View Spectrum | (30.1,1.0);(44.1,0.6246246246);(55.0,0.3753753754) | |
| LC-MS/MS | LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) | Positive | Not Available | View Spectrum | (72.0827,0.1371371371);(89.1078,1.0) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (39.0,0.049864);(54.9,0.009066);(72.1,100.0);(89.1,58.803264) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (43.2,0.017265);(55.0,0.345304);(72.1,100.0);(89.0,0.316529) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (30.3,1.424501);(39.1,0.158278);(41.5,0.158278);(43.9,0.854701);(45.3,0.063311);(55.2,5.033238);(72.0,100.0) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (30.3,15.837104);(42.8,1.809955);(43.7,4.072398);(55.0,14.479638);(56.2,0.904977);(72.2,100.0);(918.8,0.904977) | |
| LC-MS/MS | LC-ESI-QQ | positive | Not Available | View Spectrum | (30.1,100.0);(44.1,62.5);(55.0,37.5) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (72.0827,3.329);(89.1078,24.35) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.0413,84.1);(72.07995,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (36.38731,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (43.03853,9.3);(51.05855,4.4);(55.07538,1.3);(56.42453,3.9);(60.9757,18.8);(72.0941,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (30.0333,1.9);(55.05305,1.5);(72.08098,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (72.08052,100.0);(89.10775,1.7) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (30.0329,68.06);(42.034,100.0);(43.042,28.26);(44.0481,94.98);(55.0542,60.87);(55.9344,31.94);(72.0814,37.96) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (30.0324,11.87);(55.0536,5.22);(72.0807,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (72.0803,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (30.0328,11.43);(44.0481,1.73);(55.0538,4.03);(56.9396,1.24);(72.0802,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (30.0335,100.0);(39.0223,29.48);(42.035,45.17);(44.05,33.28);(53.9402,31.03) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (39.02117,35.6);(39.52362,10.2);(44.05017,100.0);(72.08073,88.3) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (60.98604,1.7);(72.08086,100.0);(89.10672,1.4) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (44.96337,2.9);(55.05466,3.7);(57.0558,1.5);(60.987,1.3);(72.08132,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (45.03394,10.9);(71.06824,2.6);(72.08261,100.0);(89.08075,5.5) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.0461573783);(28.01872406,0.0046436987);(29.03912516,0.0356379377);(30.03437413,0.1071784614);(41.03912516,0.3200804855);(42.03437413,0.0167289622);(43.05477522,0.0995803062);(44.05002419,0.3628146988);(45.07042529,0.0336876028);(46.06567426,0.1475899645);(55.05477522,8.026493208);(56.05002419,0.0485785706);(58.06567426,0.7813196721);(60.08132432,0.2974076836);(72.08132432,36.67690061);(89.10787342,52.99520076) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,0.138873956);(28.01872406,0.0504226666);(29.03912516,0.0639390385);(30.03437413,1.498882415);(41.03912516,1.301954663);(42.03437413,0.0233964839);(43.05477522,0.3627273954);(44.05002419,0.5468672268);(45.07042529,0.1643644153);(46.06567426,0.4505121717);(55.05477522,24.74794013);(56.05002419,0.3393387963);(58.06567426,1.266117598);(60.08132432,0.4519971787);(72.08132432,39.59407027);(89.10787342,28.99859559) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,6.46982074);(28.01872406,0.2970227846);(29.03912516,2.065612135);(30.03437413,1.516427497);(41.03912516,12.75681401);(42.03437413,0.9793763931);(43.05477522,3.411287461);(44.05002419,8.029030281);(45.07042529,0.5281441468);(46.06567426,3.215539676);(55.05477522,35.72039352);(56.05002419,2.491657553);(58.06567426,3.206470063);(60.08132432,0.8696170124);(72.08132432,16.836053);(89.10787342,1.606733719) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (16.01872406,1.530899027);(25.00782503,0.0001924894);(27.0234751,0.0034274258);(28.01872406,0.1433371271);(30.03437413,0.1792782229);(39.0234751,0.0026927545);(40.01872406,0.0000336096);(41.03912516,0.0177597411);(42.03437413,0.1453164128);(43.05477522,0.0081504595);(44.05002419,0.1464823056);(53.03912516,0.0043110217);(54.03437413,0.0002123725);(56.05002419,0.1914463531);(58.06567426,0.4923223971);(70.06567426,1.0819338);(87.09222335,96.05220448) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (16.01872406,1.90398817);(25.00782503,0.0029958357);(27.0234751,0.0197342864);(28.01872406,2.114210397);(30.03437413,1.204938667);(39.0234751,0.0224579681);(40.01872406,0.0054722002);(41.03912516,0.1139045826);(42.03437413,0.6509040675);(43.05477522,0.0703396198);(44.05002419,0.736347706);(53.03912516,0.0234408312);(54.03437413,0.0063350206);(56.05002419,0.8242338625);(58.06567426,2.451327972);(70.06567426,3.682062648);(87.09222335,86.16730617) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (16.01872406,6.420572761);(25.00782503,0.3537020808);(27.0234751,0.8768397256);(28.01872406,9.034393837);(30.03437413,3.181628177);(39.0234751,3.947025264);(40.01872406,0.19763659);(41.03912516,5.08991413);(42.03437413,10.12400918);(43.05477522,1.40750936);(44.05002419,7.299718359);(53.03912516,5.013004977);(54.03437413,0.5447377086);(56.05002419,6.607938162);(58.06567426,5.799662682);(70.06567426,18.53106651);(87.09222335,15.57064049) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (72.08078,100.0);(89.10732,9.48) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (44.04948,14.63);(55.05423,77.7);(72.08078,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (30.03383,23.35);(41.03858,26.67);(43.05423,16.4);(44.04948,40.83);(55.05423,84.93);(72.08078,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (87.09277,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (85.07712,100.0);(87.09277,51.95) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (42.03492,100.0);(70.06622,29.42);(85.07712,10.35);(87.09277,33.4) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Endive | Vegetables, Leaf vegetables | Publications | Show | |
| Grapefruit | Fruit, Citrus | Publications | Show | |
| Lentils | Pulses and beans | Publications | Show | |
| Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Mung bean | Pulses and beans | Publications | Show | |
| pak-choi | Vegetables, Cabbages | Publications | Show | |
| Soy bean | Soy and soy products | Publications | Show | |
| Sweet orange | Fruit, Citrus | 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