Eugenol
precursor
Showing entry for Eugenol
Identification
- PhytoHub ID
- PHUB000606
- Name
- Eugenol
- Systematic Name
- Not Available
- Synonyms
- 2-Methoxy-4-prop-2-enylbenzene
- 4-Allylguaiacol
- Eugenic acid
- CAS Number
- Not Available
- Average Mass
- 164.204
- Monoisotopic Mass
- 164.083729626
- Chemical Formula
- C10H12O2
- IUPAC Name
- 2-methoxy-4-(prop-2-en-1-yl)phenol
- InChI Key
- RRAFCDWBNXTKKO-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
- SMILES
COC1=CC(CC=C)=CC=C1O
- Structure
Structure for Eugenol
Calculated Properties
- Solubility (ALOGPS)
- 1.44e+00 g/l
- LogS (ALOGPS)
- -2.06
- LogP (ALOGPS)
- 2.66
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 3
- Polar Surface Area
- 29.46
- Refractivity
- 48.7894
- Polarizability
- 17.898461035466806
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.892303223457161
- pKa (strongest acidic)
- 9.941818320747016
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Methoxyphenols
- Direct Parent Name
- Methoxyphenols
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Hydrocarbon derivatives", "Methoxybenzenes", "Phenoxy compounds"]
- External Descriptor Annotations
- ["Monolignols", "a monoterpenol", "a phenol", "monomethoxybenzene", "phenols", "phenylpropanoid"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol ether", "Phenoxy compound"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,17.0);(40.0,2.0);(41.0,8.0);(42.0,0.2);(43.0,4.0);(44.0,1.0);(50.0,8.0);(51.0,1.6);(52.0,9.0);(53.0,11.0);(54.0,2.0);(55.0,2.5);(56.0,2.0);(57.0,2.0);(61.0,2.0);(62.0,0.5);(63.0,8.0);(64.0,4.0);(65.0,15.0);(66.0,0.9);(67.0,2.0);(68.0,2.0);(69.0,2.0);(74.0,0.3);(75.0,5.0);(76.0,3.0);(77.0,38.0);(78.0,1.2);(79.0,12.0);(80.0,2.0);(81.0,4.0);(89.0,0.4);(90.0,3.0);(91.0,21.0);(92.0,5.0);(93.0,1.0);(94.0,12.0);(95.0,3.0);(101.0,2.0);(102.0,0.4);(103.0,31.0);(104.0,21.0);(105.0,13.0);(106.0,0.3);(107.0,5.0);(108.0,2.0);(109.0,2.0);(115.0,0.4);(116.0,2.0);(117.0,2.0);(118.0,2.0);(119.0,0.5);(120.0,3.0);(121.0,23.0);(122.0,11.0);(123.0,0.2);(124.0,1.0);(130.0,2.0);(131.0,27.0);(132.0,1.0);(133.0,20.0);(134.0,3.0);(135.0,3.0);(136.0,0.2);(137.0,23.0);(138.0,3.0);(147.0,6.0);(148.0,0.2);(149.0,37.0);(150.0,5.0);(163.0,5.0);(164.0,99.99);(165.0,12.0);(166.0,2.0) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,5.72);(41.0,3.01);(51.0,6.02);(55.0,10.52);(63.0,2.51);(65.0,4.71);(77.0,14.62);(78.0,4.01);(91.0,10.62);(103.0,15.22);(104.0,9.72);(105.0,5.21);(121.0,10.32);(131.0,19.23);(133.0,13.62);(137.0,17.53);(147.0,4.71);(149.0,31.14);(164.0,99.99);(165.0,11.12) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (15.0,6.82);(26.0,1.38);(27.0,8.9);(29.0,2.64);(38.0,2.37);(39.0,16.62);(40.0,2.51);(41.0,7.37);(43.0,3.37);(50.0,4.72);(51.0,14.58);(52.0,6.64);(53.0,8.19);(55.0,22.03);(62.0,2.19);(63.0,7.0);(64.0,1.86);(65.0,12.87);(66.0,6.32);(67.0,1.6);(74.0,1.31);(75.0,1.51);(76.0,1.28);(77.0,32.7);(78.0,9.38);(79.0,7.77);(81.0,2.31);(89.0,2.04);(91.0,23.5);(92.0,2.51);(93.0,5.12);(94.0,8.37);(95.0,1.04);(102.0,1.98);(103.0,26.85);(104.0,17.63);(105.0,7.88);(106.0,1.12);(107.0,2.98);(109.0,1.09);(115.0,1.93);(119.0,1.81);(120.0,1.13);(121.0,16.16);(122.0,6.61);(131.0,22.22);(132.0,8.6);(133.0,16.62);(134.0,1.75);(135.0,1.44);(137.0,18.07);(138.0,1.45);(147.0,3.7);(149.0,30.25);(150.0,2.54);(163.0,3.39);(164.0,99.99);(165.0,10.23) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (26.0,1.0);(27.0,7.1);(28.0,2.6);(29.0,0.15);(31.0,0.9);(38.0,2.2);(39.0,15.2);(40.0,0.28);(41.0,7.5);(43.0,4.2);(45.0,1.0);(50.0,0.46);(51.0,12.9);(52.0,5.4);(53.0,4.8);(55.0,2.19);(56.0,1.1);(62.0,2.0);(63.0,5.1);(64.0,0.18);(65.0,9.8);(66.0,4.0);(67.0,1.3);(69.0,0.1);(74.0,1.3);(75.0,1.2);(76.0,1.3);(77.0,2.58);(78.0,6.9);(79.0,6.2);(81.0,2.2);(89.0,0.18);(91.0,17.0);(92.0,2.4);(93.0,4.6);(94.0,0.57);(95.0,1.1);(102.0,1.7);(103.0,20.6);(104.0,1.45);(105.0,6.3);(106.0,1.1);(107.0,3.2);(109.0,0.13);(115.0,2.2);(119.0,1.9);(120.0,1.1);(121.0,1.51);(122.0,6.3);(131.0,20.6);(132.0,9.7);(133.0,1.63);(134.0,1.8);(135.0,1.8);(137.0,19.3);(138.0,0.16);(147.0,4.8);(149.0,34.6);(150.0,3.3);(163.0,0.44);(164.0,99.99);(165.0,11.1);(166.0,1.1) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (40.0,2.0);(41.0,8.0);(42.0,2.0);(43.0,4.0);(44.0,1.5);(50.0,8.0);(51.0,16.0);(52.0,9.0);(53.0,11.0);(54.0,2.5);(55.0,25.5);(56.0,2.0);(57.0,2.0);(61.0,2.0);(62.0,5.0);(63.0,8.0);(64.0,4.0);(65.0,15.0);(66.0,9.0);(67.0,2.5);(68.0,2.0);(69.0,2.0);(74.0,3.0);(75.0,5.0);(76.0,2.5);(77.0,38.0);(78.0,12.0);(79.0,12.5);(80.0,2.0);(81.0,3.5);(89.0,4.5);(90.0,3.0);(91.0,21.0);(92.0,5.0);(93.0,9.5);(94.0,12.5);(95.0,3.0);(101.0,2.0);(102.0,4.5);(103.0,31.5);(104.0,21.0);(105.0,13.5);(106.0,3.0);(107.0,5.0);(108.0,2.0);(109.0,2.0);(115.0,4.0);(116.0,2.0);(117.0,2.0);(118.0,2.5);(119.0,5.0);(120.0,3.0);(121.0,23.0);(122.0,10.5);(123.0,2.0);(124.0,1.0);(130.0,2.0);(131.0,27.0);(132.0,10.0);(133.0,20.0);(134.0,2.0);(135.0,3.0);(136.0,2.0);(137.0,23.5);(138.0,3.0);(147.0,6.0);(148.0,2.1);(149.0,37.0);(150.0,5.0);(163.0,5.0);(164.0,99.99);(165.0,12.0);(166.0,2.0) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (41.0,1.7);(43.0,1.0);(55.0,8.3);(77.0,0.69);(78.0,1.8);(79.0,2.2);(91.0,4.1);(93.0,0.24);(94.0,1.2);(103.0,9.3);(104.0,9.7);(105.0,0.3);(107.0,1.6);(121.0,9.2);(122.0,2.7);(131.0,1.38);(132.0,6.7);(133.0,11.6);(134.0,1.4);(135.0,0.12);(137.0,10.0);(147.0,3.4);(149.0,24.1);(150.0,0.25);(163.0,3.1);(164.0,99.99);(165.0,11.4);(166.0,1.1) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,17.0);(40.0,2.0);(41.0,8.0);(42.0,0.2);(43.0,4.0);(44.0,1.0);(50.0,8.0);(51.0,1.6);(52.0,9.0);(53.0,11.0);(54.0,2.0);(55.0,2.5);(56.0,2.0);(57.0,2.0);(61.0,2.0);(62.0,0.5);(63.0,8.0);(64.0,4.0);(65.0,15.0);(66.0,0.9);(67.0,2.0);(68.0,2.0);(69.0,2.0);(74.0,0.3);(75.0,5.0);(76.0,3.0);(77.0,38.0);(78.0,1.2);(79.0,12.0);(80.0,2.0);(81.0,4.0);(89.0,0.4);(90.0,3.0);(91.0,21.0);(92.0,5.0);(93.0,1.0);(94.0,12.0);(95.0,3.0);(101.0,2.0);(102.0,0.4);(103.0,31.0);(104.0,21.0);(105.0,13.0);(106.0,0.3);(107.0,5.0);(108.0,2.0);(109.0,2.0);(115.0,0.4);(116.0,2.0);(117.0,2.0);(118.0,2.0);(119.0,0.5);(120.0,3.0);(121.0,23.0);(122.0,11.0);(123.0,0.2);(124.0,1.0);(130.0,2.0);(131.0,27.0);(132.0,1.0);(133.0,20.0);(134.0,3.0);(135.0,3.0);(136.0,0.2);(137.0,23.0);(138.0,3.0);(147.0,6.0);(148.0,0.2);(149.0,37.0);(150.0,5.0);(163.0,5.0);(164.0,99.99);(165.0,12.0);(166.0,2.0) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (39.0,5.72);(41.0,3.01);(51.0,6.02);(55.0,10.52);(63.0,2.51);(65.0,4.71);(77.0,14.62);(78.0,4.01);(91.0,10.62);(103.0,15.22);(104.0,9.72);(105.0,5.21);(121.0,10.32);(131.0,19.23);(133.0,13.62);(137.0,17.53);(147.0,4.71);(149.0,31.14);(164.0,99.99);(165.0,11.12) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (15.0,6.82);(26.0,1.38);(27.0,8.9);(29.0,2.64);(38.0,2.37);(39.0,16.62);(40.0,2.51);(41.0,7.37);(43.0,3.37);(50.0,4.72);(51.0,14.58);(52.0,6.64);(53.0,8.19);(55.0,22.03);(62.0,2.19);(63.0,7.0);(64.0,1.86);(65.0,12.87);(66.0,6.32);(67.0,1.6);(74.0,1.31);(75.0,1.51);(76.0,1.28);(77.0,32.7);(78.0,9.38);(79.0,7.77);(81.0,2.31);(89.0,2.04);(91.0,23.5);(92.0,2.51);(93.0,5.12);(94.0,8.37);(95.0,1.04);(102.0,1.98);(103.0,26.85);(104.0,17.63);(105.0,7.88);(106.0,1.12);(107.0,2.98);(109.0,1.09);(115.0,1.93);(119.0,1.81);(120.0,1.13);(121.0,16.16);(122.0,6.61);(131.0,22.22);(132.0,8.6);(133.0,16.62);(134.0,1.75);(135.0,1.44);(137.0,18.07);(138.0,1.45);(147.0,3.7);(149.0,30.25);(150.0,2.54);(163.0,3.39);(164.0,99.99);(165.0,10.23) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (26.0,1.0);(27.0,7.1);(28.0,2.6);(29.0,0.15);(31.0,0.9);(38.0,2.2);(39.0,15.2);(40.0,0.28);(41.0,7.5);(43.0,4.2);(45.0,1.0);(50.0,0.46);(51.0,12.9);(52.0,5.4);(53.0,4.8);(55.0,2.19);(56.0,1.1);(62.0,2.0);(63.0,5.1);(64.0,0.18);(65.0,9.8);(66.0,4.0);(67.0,1.3);(69.0,0.1);(74.0,1.3);(75.0,1.2);(76.0,1.3);(77.0,2.58);(78.0,6.9);(79.0,6.2);(81.0,2.2);(89.0,0.18);(91.0,17.0);(92.0,2.4);(93.0,4.6);(94.0,0.57);(95.0,1.1);(102.0,1.7);(103.0,20.6);(104.0,1.45);(105.0,6.3);(106.0,1.1);(107.0,3.2);(109.0,0.13);(115.0,2.2);(119.0,1.9);(120.0,1.1);(121.0,1.51);(122.0,6.3);(131.0,20.6);(132.0,9.7);(133.0,1.63);(134.0,1.8);(135.0,1.8);(137.0,19.3);(138.0,0.16);(147.0,4.8);(149.0,34.6);(150.0,3.3);(163.0,0.44);(164.0,99.99);(165.0,11.1);(166.0,1.1) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (40.0,2.0);(41.0,8.0);(42.0,2.0);(43.0,4.0);(44.0,1.5);(50.0,8.0);(51.0,16.0);(52.0,9.0);(53.0,11.0);(54.0,2.5);(55.0,25.5);(56.0,2.0);(57.0,2.0);(61.0,2.0);(62.0,5.0);(63.0,8.0);(64.0,4.0);(65.0,15.0);(66.0,9.0);(67.0,2.5);(68.0,2.0);(69.0,2.0);(74.0,3.0);(75.0,5.0);(76.0,2.5);(77.0,38.0);(78.0,12.0);(79.0,12.5);(80.0,2.0);(81.0,3.5);(89.0,4.5);(90.0,3.0);(91.0,21.0);(92.0,5.0);(93.0,9.5);(94.0,12.5);(95.0,3.0);(101.0,2.0);(102.0,4.5);(103.0,31.5);(104.0,21.0);(105.0,13.5);(106.0,3.0);(107.0,5.0);(108.0,2.0);(109.0,2.0);(115.0,4.0);(116.0,2.0);(117.0,2.0);(118.0,2.5);(119.0,5.0);(120.0,3.0);(121.0,23.0);(122.0,10.5);(123.0,2.0);(124.0,1.0);(130.0,2.0);(131.0,27.0);(132.0,10.0);(133.0,20.0);(134.0,2.0);(135.0,3.0);(136.0,2.0);(137.0,23.5);(138.0,3.0);(147.0,6.0);(148.0,2.1);(149.0,37.0);(150.0,5.0);(163.0,5.0);(164.0,99.99);(165.0,12.0);(166.0,2.0) | |
| GC-MS | EI-B | positive | Not Available | View Spectrum | (41.0,1.7);(43.0,1.0);(55.0,8.3);(77.0,0.69);(78.0,1.8);(79.0,2.2);(91.0,4.1);(93.0,0.24);(94.0,1.2);(103.0,9.3);(104.0,9.7);(105.0,0.3);(107.0,1.6);(121.0,9.2);(122.0,2.7);(131.0,1.38);(132.0,6.7);(133.0,11.6);(134.0,1.4);(135.0,0.12);(137.0,10.0);(147.0,3.4);(149.0,24.1);(150.0,0.25);(163.0,3.1);(164.0,99.99);(165.0,11.4);(166.0,1.1) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,2.916178809);(27.02292522,7.417575163);(41.03857442,2.172054776);(77.03857442,1.754603659);(79.05422362,2.130072362);(105.0334885,1.460107444);(107.0491377,1.659191477);(109.0284026,1.696661475);(109.0647869,1.192131014);(119.0491377,1.199810647);(121.0647869,2.792967333);(122.0362272,2.294241569);(123.0440518,10.73224406);(124.0518764,3.411057823);(125.059701,1.301380028);(132.0569623,1.496914167);(133.0647869,1.658738312);(134.0362272,1.289135146);(134.0726115,2.617747917);(135.0440518,3.310619333);(135.0804361,1.722992346);(136.0518764,2.802284062);(136.0882607,1.785571333);(137.059701,4.717909374);(138.0675256,2.462361167);(139.0753502,1.526535758);(148.0518764,3.938067477);(149.059701,9.607525959);(163.0753502,5.466433099);(164.0831748,10.28891663);(165.0865818,1.177970282) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (25.00727602,1.009827878);(27.02292522,2.886840788);(41.03857442,0.9918405377);(71.03115062,0.7138542774);(73.04679982,8.408453446);(74.04796012,0.7194797149);(77.03857442,1.210890139);(79.05422362,1.620373048);(93.06987282,0.9131317725);(135.0804361,1.303987361);(162.0675256,0.6141198171);(163.0753502,2.486549574);(164.0831748,2.578499597);(165.0909994,1.18746397);(177.0730123,0.8357977056);(179.0886615,0.7405934367);(181.0679264,0.9300950254);(191.0886615,1.084683783);(192.0964861,0.7182500138);(193.0679264,0.8026408007);(193.1043107,1.303292788);(195.0835756,2.583761623);(206.1121353,0.8376146861);(208.0914002,0.8610152679);(209.0992248,1.968040556);(211.114874,0.6602722287);(220.0914002,1.661958483);(221.0992248,8.419513039);(222.1016046,1.585069929);(235.114874,1.925234551);(236.1226986,1.811538168) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (25.00727602,1.556885193);(27.02292522,3.354465689);(41.03857442,1.658268559);(77.03857442,1.225658557);(79.05422362,1.525825913);(105.0334885,1.240174392);(107.0491377,1.328428029);(109.0284026,1.250617215);(109.0647869,0.9036697854);(119.0491377,0.9865962158);(121.0647869,2.142096339);(122.0362272,1.751552817);(123.0440518,3.530556626);(124.0518764,2.608791157);(125.059701,0.9935465755);(132.0569623,1.142828315);(133.0647869,1.266373952);(134.0362272,0.9450310984);(134.0726115,1.998535725);(135.0440518,3.150532845);(135.0804361,1.315429089);(136.0518764,2.006609407);(136.0882607,1.363205401);(137.059701,3.665759992);(138.0675256,1.30826411);(139.0753502,0.9753182162);(148.0518764,2.720450884);(149.059701,7.504519151);(163.0753502,1.720722641);(164.0831748,8.306280103);(165.0865818,0.9509797266) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (25.00727602,1.556885193);(27.02292522,3.354465689);(41.03857442,1.658268559);(77.03857442,1.225658557);(79.05422362,1.525825913);(105.0334885,1.240174392);(107.0491377,1.328428029);(109.0284026,1.250617215);(109.0647869,0.9036697854);(119.0491377,0.9865962158);(121.0647869,2.142096339);(122.0362272,1.751552817);(123.0440518,3.530556626);(124.0518764,2.608791157);(125.059701,0.9935465755);(132.0569623,1.142828315);(133.0647869,1.266373952);(134.0362272,0.9450310984);(134.0726115,1.998535725);(135.0440518,3.150532845);(135.0804361,1.315429089);(136.0518764,2.006609407);(136.0882607,1.363205401);(137.059701,3.665759992);(138.0675256,1.30826411);(139.0753502,0.9753182162);(148.0518764,2.720450884);(149.059701,7.504519151);(163.0753502,1.720722641);(164.0831748,8.306280103);(165.0865818,0.9509797266) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (105.0698,16.900253);(106.0732,1.79663);(124.0518,52.788132);(125.0552,4.562397);(131.0491,4.144923);(133.0647,50.626211);(134.068,4.338751);(135.0803,1.11078);(137.0596,55.225883);(138.0629,5.620993);(149.0599,2.027732);(150.0676,1.334427);(163.0752,2.967049);(164.0831,7.596541);(165.091,100.0);(166.0944,12.315491) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (103.0542,3.888983);(105.0696,29.028176);(106.0731,2.277712);(109.0284,16.306732);(110.0322,1.771554);(121.0644,1.1726);(122.0363,1.746246);(124.0518,100.0);(125.0553,9.347056);(131.0489,2.581407);(133.0646,12.561161);(134.0683,1.206344);(137.0596,30.015185);(138.0632,3.332209);(149.0597,1.69563);(150.0672,1.771554);(165.0909,2.404252) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (81.0332,3.054281);(94.0406,2.611173);(103.0542,11.394208);(105.07,19.370154);(107.0493,1.867384);(109.0285,100.0);(110.0319,8.656433);(115.055,1.582529);(122.0364,8.244975);(124.0521,77.55974);(125.0557,7.358759);(131.0494,1.930685);(133.0649,2.389619);(135.0439,2.468745);(137.0599,11.615762) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (81.0324,9.325816);(94.0416,5.87268);(103.0536,7.470049);(105.0449,9.960066);(107.0495,3.24172);(109.0284,100.0);(110.0315,8.057317);(122.0363,5.637773);(124.0521,16.678412) | |
| LC-MS/MS | LC-ESI-QTOF | positive | Not Available | View Spectrum | (81.0322,35.639098);(105.045,26.917293);(109.0287,100.0) | |
| LC-MS/MS | Linear Ion Trap | positive | Not Available | View Spectrum | (60.896387,1.852982);(90.952562,0.534916);(102.965691,0.562689);(104.988085,4.702753);(106.972704,1.010631);(108.989345,2.064401);(116.85019,0.776809);(118.993059,1.342595);(119.973885,0.73535);(120.953282,1.376454);(121.99168,1.063439);(122.97649,1.804001);(132.025059,1.03014);(132.991346,22.523029);(134.021208,1.247568);(134.894505,100.0);(137.011557,14.473241);(146.929875,6.835979);(149.013893,0.788046);(150.017464,32.443204);(150.886998,1.251597) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (81.0324,9.33);(94.0416,5.87);(103.0536,7.47);(105.0449,9.96);(107.0495,3.24);(109.0284,100.0);(110.0315,8.06);(122.0363,5.64);(124.0521,16.68) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (81.0332,3.05);(94.0406,2.61);(103.0542,11.39);(105.07,19.37);(107.0493,1.87);(109.0285,100.0);(110.0319,8.66);(115.055,1.58);(122.0364,8.24);(124.0521,77.56);(125.0557,7.36);(131.0494,1.93);(133.0649,2.39);(135.0439,2.47);(137.0599,11.62) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (105.0698,16.9);(106.0732,1.8);(124.0518,52.79);(125.0552,4.56);(131.0491,4.14);(133.0647,50.63);(134.068,4.34);(135.0803,1.11);(137.0596,55.23);(138.0629,5.62);(149.0599,2.03);(150.0676,1.33);(163.0752,2.97);(164.0831,7.6);(165.091,100.0);(166.0944,12.32) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (103.0542,3.89);(105.0696,29.03);(106.0731,2.28);(109.0284,16.31);(110.0322,1.77);(121.0644,1.17);(122.0363,1.75);(124.0518,100.0);(125.0553,9.35);(131.0489,2.58);(133.0646,12.56);(134.0683,1.21);(137.0596,30.02);(138.0632,3.33);(149.0597,1.7);(150.0672,1.77);(165.0909,2.4) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (105.0698,16.92);(106.0732,1.8);(124.0518,52.75);(125.0552,4.6);(131.0491,4.1);(133.0647,50.65);(134.068,4.3);(135.0803,1.1);(137.0596,55.26);(138.0629,5.61);(149.0599,2.0);(150.0676,1.3);(163.0752,3.0);(164.0831,7.61);(165.091,100.0);(166.0944,12.31) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (81.0322,35.64);(105.045,26.92);(109.0287,100.0) | |
| LC-MS/MS | Not Available | Positive | Not Available | View Spectrum | (81.0324,9.31);(94.0416,5.91);(103.0536,7.51);(105.0449,10.01);(107.0495,3.2);(109.0284,100.0);(110.0315,8.01);(122.0363,5.61);(124.0521,16.72) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (103.0542,0.03903904);(105.0696,0.29029029);(106.0731,0.02302302);(109.0284,0.16316316);(110.0322,0.01801802);(121.0644,0.01201201);(122.0363,0.01701702);(124.0518,1.0);(125.0553,0.09309309);(131.0489,0.02602603);(133.0646,0.12512513);(134.0683,0.01201201);(137.0596,0.3003003);(138.0632,0.03303303);(149.0597,0.01701702);(150.0672,0.01801802);(165.0909,0.02402402) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (105.0698,0.16916917);(106.0732,0.01801802);(124.0518,0.52752753);(125.0552,0.04604605);(131.0491,0.04104104);(133.0647,0.50650651);(134.068,0.04304304);(135.0803,0.01101101);(137.0596,0.55255255);(138.0629,0.05605606);(149.0599,0.02002002);(150.0676,0.01301301);(163.0752,0.03003003);(164.0831,0.07607608);(165.091,1.0);(166.0944,0.12312312) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (81.0322,0.35635636);(105.045,0.26926927);(109.0287,1.0) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (81.0324,0.09309309);(94.0416,0.05905906);(103.0536,0.07507508);(105.0449,0.1001001);(107.0495,0.03203203);(109.0284,1.0);(110.0315,0.08008008);(122.0363,0.05605606);(124.0521,0.16716717) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (81.0332,0.03103103);(94.0406,0.02602603);(103.0542,0.11411411);(105.07,0.19419419);(107.0493,0.01901902);(109.0285,1.0);(110.0319,0.08608609);(115.055,0.01601602);(122.0364,0.08208208);(124.0521,0.77577578);(125.0557,0.07407407);(131.0494,0.01901902);(133.0649,0.02402402);(135.0439,0.02502503);(137.0599,0.11611612) | |
| LC-MS/MS | LC-ESI-QFT | Positive | medium | View Spectrum | (51.022769,0.00005969);(51.023952,0.00102151);(51.483972,0.00006273);(52.48324,0.00006811);(53.039592,0.00007268);(53.088589,0.00007578);(53.862734,0.00008312);(53.88902,0.00005788);(53.919538,0.00006926);(54.089628,0.00006304);(54.361942,0.00007038);(54.941785,0.00007199);(55.018624,0.00603085);(55.053463,0.00005973);(55.055005,0.00042222);(55.0689,0.00008317);(55.935311,0.00007775);(56.050272,0.00402121);(56.943065,0.00007621);(56.965582,0.00061876);(57.07065,0.00070518);(57.896688,0.00007688);(58.065911,0.0051225);(59.049938,0.00133285);(59.37317,0.00008108);(60.045123,0.00114262);(60.174533,0.00007755);(61.011403,0.00367675);(61.907222,0.00006831);(62.008285,0.00007098);(62.016074,0.00007471);(62.019234,0.00116858);(62.559058,0.00006155);(62.982511,0.00050533);(62.990656,0.0009759);(63.024003,0.00008492);(65.040094,0.00005694);(65.234277,0.00006184);(65.323234,0.00005815);(66.453272,0.00006902);(67.054974,0.00163612);(67.9912,0.00005375);(68.050068,0.00008322);(68.603031,0.00007117);(68.787985,0.00005997);(69.118417,0.00008698);(69.212717,0.00007024);(69.428028,0.00008803);(70.006619,0.00009345);(70.847431,0.00005686);(70.958509,0.00040646);(71.174572,0.00005836);(71.637737,0.00006812);(71.761612,0.00007954);(71.929945,0.00010538);(72.167661,0.0000735);(72.75096,0.00006274);(72.937809,0.00096431);(73.029108,0.00144773);(73.654283,0.00006042);(74.024345,0.00236065);(74.060676,0.00570517);(74.32405,0.00006669);(75.02689,0.00008451);(76.575733,0.00007104);(77.03722,0.00007372);(77.039509,0.00300738);(78.01402,0.00348334);(78.04283,0.00008844);(78.047087,0.00084595);(79.021838,0.00639456);(79.054856,0.00471157);(80.009578,0.00010549);(80.021591,0.00007296);(80.025293,0.00008515);(80.449408,0.00007422);(80.892498,0.00007121);(80.948406,0.00328439);(81.017805,0.00007223);(81.070505,0.00489969);(82.073631,0.00008938);(83.086123,0.00034276);(84.029077,0.00210826);(84.081412,0.00007358);(85.029939,0.14465193);(86.024887,0.00196825);(86.029486,0.00470897);(86.033335,0.01409738);(86.035986,0.00050347);(86.060644,0.00018321);(86.299867,0.00007734);(87.025727,0.03007505);(87.034109,0.00096109);(87.04457,0.00148147);(87.907036,0.00044125);(88.029353,0.00013599);(88.076377,0.00072494);(88.344709,0.00006322);(88.35146,0.00008769);(88.800375,0.00007887);(88.862464,0.00007262);(89.060242,0.00154237);(89.561841,0.00006129);(89.812288,0.00006276);(89.940528,0.00026556);(90.948225,0.00166638);(91.054719,0.01322531);(91.614408,0.00005846);(92.058076,0.00022398);(93.070373,0.00660507);(93.631114,0.00008814);(94.065541,0.000254);(94.073607,0.0000872);(95.049616,0.00360425);(95.086036,0.00453216);(95.850795,0.00007334);(98.975726,0.00076954);(99.023904,0.00006911);(99.564381,0.00008083);(100.021058,0.00008076);(100.076134,0.00019364);(100.109885,0.00007042);(101.950295,0.00131011);(102.039513,0.00007789);(102.046892,0.00117538);(102.055406,0.0006548);(102.091766,0.0081662);(102.915077,0.00007198);(103.040374,0.02611093);(103.054645,0.27616411);(103.095192,0.00012781);(104.03988,0.00044973);(104.043648,0.00216397);(104.05799,0.06046299);(104.062428,0.0879306);(104.316435,0.00008001);(104.930922,0.00012258);(104.963702,0.00029272);(105.036349,0.00490727);(105.044971,0.00034006);(105.061624,0.0018708);(105.065851,0.00740357);(105.070242,0.02462698);(105.66799,0.00008916);(105.776061,0.00010215);(105.91731,0.00013408);(106.065831,0.00006316);(106.073589,0.00169174);(106.609088,0.00007115);(106.770844,0.00006897);(106.925655,0.00007066);(107.049478,0.01146657);(107.085914,0.00359249);(107.232568,0.00007332);(107.65228,0.00006437);(107.753715,0.00007885);(108.052926,0.00106851);(109.065128,0.00144303);(109.101492,0.00240737);(113.423135,0.00009273);(114.312536,0.00007652);(115.054477,0.00019412);(116.005538,0.0017514);(116.070854,0.00274098);(116.587807,0.00008723);(116.986272,0.00055854);(117.055876,0.00020609);(117.070222,0.00078398);(118.065263,0.00026489);(118.086508,0.04283876);(118.685299,0.00007824);(118.925083,0.00098782);(119.019249,0.00008413);(119.049387,0.00204344);(119.085653,0.00082865);(119.089924,0.00051321);(119.96056,0.00024424);(120.040259,0.0000771);(120.081041,0.0205485);(120.102151,0.01534454);(120.973346,0.00006302);(121.065021,0.04520796);(121.084171,0.00009299);(121.101372,0.00333121);(121.105731,0.00035168);(121.624632,0.00006399);(122.036019,0.00010774);(122.068316,0.00373413);(122.07313,0.00008931);(122.081326,0.00307996);(122.941126,0.00493261);(123.04432,0.00379306);(123.080657,0.00007022);(123.585428,0.00007649);(123.628098,0.00006627);(123.977343,0.00007927);(123.991475,0.00010004);(124.052089,0.0187795);(124.936306,0.00021456);(125.055279,0.00033719);(125.059904,0.00011638);(125.989531,0.00028636);(126.489813,0.00020419);(126.987971,0.00088552);(127.689701,0.00007254);(129.323525,0.00008251);(131.040539,0.0009087);(131.049255,1.0);(132.052396,0.29768956);(132.057017,0.04583835);(132.063123,0.00011843);(132.064381,0.00009213);(133.028402,0.00100128);(133.05592,0.01114399);(133.064951,0.08059762);(133.9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| |
| LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.016291,0.00020007);(50.867181,0.00010658);(51.023947,0.00079013);(51.448027,0.00010454);(52.148769,0.00010802);(52.153234,0.00012006);(52.426103,0.00009723);(53.039397,0.00105811);(55.018617,0.02402968);(55.055047,0.00058551);(55.935087,0.00014446);(56.050264,0.00990794);(56.433874,0.00008982);(56.69415,0.00010083);(56.965554,0.00112404);(57.034564,0.0001411);(57.070684,0.00112477);(58.065883,0.01476242);(58.281324,0.00015185);(59.049898,0.00111898);(59.326333,0.00011006);(59.403397,0.00011298);(59.562631,0.00010798);(60.045147,0.00161617);(60.498049,0.0001201);(60.505324,0.00009605);(60.524288,0.00010512);(61.011411,0.00589779);(61.320583,0.00009235);(62.019248,0.00145334);(62.982498,0.00053986);(62.990653,0.00135913);(63.024015,0.00012819);(64.060997,0.00010939);(66.350086,0.00011145);(67.054972,0.00432679);(68.050462,0.00009647);(68.720285,0.00009308);(69.070513,0.00023037);(69.182608,0.00011608);(69.220302,0.00009605);(69.38176,0.00009527);(69.837016,0.00008968);(70.065781,0.00030535);(70.937459,0.00010605);(70.95859,0.00055264);(71.929778,0.00010711);(72.937814,0.00261061);(73.029107,0.00266856);(74.024307,0.00203101);(74.060671,0.01007974);(74.46025,0.00010493);(74.733247,0.00012287);(75.421998,0.00010207);(75.770792,0.00009924);(76.076289,0.0002413);(77.039445,0.00408891);(78.01402,0.00397003);(78.042733,0.00009874);(78.047056,0.00631618);(78.647009,0.00010718);(79.002014,0.00010584);(79.021849,0.00876754);(79.054818,0.01436912);(80.058308,0.00026623);(80.948429,0.00176823);(81.070446,0.00677377);(81.166299,0.00013004);(82.065841,0.00012823);(82.153956,0.0001028);(82.173166,0.0001282);(83.049556,0.00010487);(83.783939,0.00010981);(83.865301,0.00011259);(84.029156,0.0014574);(84.081421,0.00018892);(85.029923,0.1302587);(86.024898,0.00105732);(86.029404,0.00303155);(86.033307,0.01204705);(86.06062,0.00023635);(86.257417,0.00013376);(87.025711,0.0275695);(87.034072,0.00040454);(87.044531,0.00094191);(87.091555,0.00011269);(87.907054,0.00071095);(88.076287,0.00240251);(88.357656,0.00010007);(89.060241,0.00011677);(90.948217,0.00185231);(91.054705,0.0299999);(91.093068,0.00009609);(92.058013,0.00045155);(93.005258,0.00011331);(93.067405,0.00019392);(93.070353,0.02338268);(94.041905,0.00010869);(94.06571,0.00040239);(94.073648,0.00084857);(94.396881,0.00012504);(94.942956,0.00013704);(95.049621,0.01185281);(95.085988,0.0056905);(97.065499,0.00010941);(98.114299,0.00011406);(98.903826,0.00009666);(98.975744,0.00021873);(100.076014,0.00027436);(101.950375,0.00071137);(102.046841,0.00192605);(102.055499,0.00018659);(102.09178,0.02339873);(102.91511,0.00047795);(103.040469,0.02841991);(103.048539,0.00022508);(103.054633,0.71341247);(103.095065,0.00011479);(104.035601,0.00010532);(104.040003,0.00047871);(104.043689,0.00114997);(104.057978,0.16948668);(104.062389,0.13505777);(104.070679,0.00018335);(104.663015,0.00012039);(104.963807,0.00017034);(105.036343,0.00406165);(105.045062,0.00274207);(105.061366,0.00704706);(105.065848,0.0118694);(105.070241,0.03992866);(105.917626,0.00012684);(106.065433,0.00027318);(106.073561,0.00224514);(106.925711,0.00016581);(107.045589,0.00018724);(107.049512,0.02033619);(107.053242,0.00018772);(107.06096,0.00011846);(107.085877,0.00371997);(108.05283,0.00094884);(108.089189,0.00017282);(109.028709,0.00169478);(109.065092,0.00167739);(109.1015,0.00183597);(109.429287,0.0001123);(111.355534,0.00011027);(113.175757,0.00011296);(114.98665,0.00012206);(115.054504,0.00095762);(116.005566,0.00095849);(116.070866,0.0094134);(116.986021,0.00051444);(117.070064,0.00302485);(117.125071,0.00011428);(118.065465,0.00122463);(118.086493,0.08437415);(118.140069,0.00010525);(118.545248,0.00009707);(118.92502,0.00052711);(119.019393,0.00016323);(119.049334,0.00162805);(119.08568,0.00108612);(119.089925,0.00095623);(119.412635,0.00010404);(119.960867,0.00024308);(120.081009,0.0257131);(120.102134,0.03410891);(120.940506,0.00011272);(121.064991,0.11229481);(121.084301,0.00013029);(121.101318,0.00270137);(121.105605,0.00050369);(122.068289,0.00971637);(122.081341,0.00344624);(122.941088,0.00437302);(123.044245,0.00308647);(123.991494,0.00018356);(124.052071,0.02651286);(125.055344,0.00044264);(126.489421,0.00011193);(126.987931,0.00033603);(128.164938,0.00010009);(128.690898,0.00009239);(129.66464,0.00013892);(130.353752,0.00012731);(131.040523,0.00101363);(131.049231,1.0);(132.052409,0.30068296);(132.064201,0.00012579);(133.028498,0.00083812);(133.048325,0.00019395);(133.05568,0.01033461);(133.064882,0.08379114);(133.070611,0.00137759);(133.088955,0.00051671);(133.959593,0.00017556);(134.068119,0.00750155);(134.956079,0.01090668);(134.978794,0.00030982);(135.044151,0.00352396);(135.080423,0.00181103);(135.495256,0.00016661);(136.075729,0.00258722);(136.337547,0.00010926);(136.957224,0.00011669);(137.012273,0.00016819);(137.030009,0.00012046);(137.059654,0.03145917);(137.096057,0.00238097);(138.063069,0.00145424);(138.93567,0.00010632);(138.950571,0.0001298);(139.667417,0.00010057);(145.057196,0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| |
| LC-MS/MS | LC-ESI-QFT | Positive | high | View Spectrum | (50.016037,0.00050127);(50.102133,0.00007378);(51.023872,0.0014223);(51.19619,0.0000789);(51.37288,0.00007076);(51.374219,0.00007559);(51.828925,0.00007342);(52.318829,0.00007119);(52.790159,0.00006472);(53.039362,0.01230499);(53.205087,0.00006614);(53.659337,0.00007584);(54.163876,0.00008618);(54.451147,0.00006712);(55.01862,0.05560053);(55.055019,0.00135451);(55.075633,0.00007335);(55.091236,0.00008485);(55.252059,0.00007367);(55.613454,0.00006761);(55.623472,0.00007539);(55.659628,0.00008534);(55.661796,0.00008521);(55.845549,0.00007238);(55.935137,0.00187657);(56.021978,0.00094041);(56.050256,0.01233407);(56.645675,0.00006511);(56.943027,0.0021463);(56.965546,0.00219458);(57.034274,0.00007062);(57.065966,0.0000752);(57.070632,0.00020232);(57.64447,0.00007929);(57.935592,0.00119555);(58.065892,0.03060266);(58.235193,0.00006777);(59.049852,0.00054696);(59.069289,0.00028138);(59.340329,0.00007467);(59.550791,0.00006647);(59.759274,0.00007506);(59.930977,0.00038705);(60.045162,0.00199401);(60.292665,0.00006997);(61.011401,0.0053362);(61.255742,0.00007803);(61.580289,0.00006652);(61.701495,0.00008012);(62.019216,0.00191135);(62.982467,0.00018079);(62.989088,0.00006883);(62.990653,0.00239376);(63.024016,0.00011346);(63.087221,0.00007957);(65.039367,0.00105453);(65.776279,0.00006396);(65.876624,0.00008541);(67.05494,0.00539051);(68.049991,0.0000912);(69.034002,0.00009183);(69.070599,0.00037662);(69.242717,0.00056934);(70.00657,0.0000692);(70.065876,0.00095213);(70.164747,0.00007199);(70.42212,0.00007384);(70.958527,0.00097237);(71.186848,0.0000716);(71.929961,0.00092925);(71.992378,0.00007467);(72.081611,0.00007622);(72.937782,0.00567303);(73.029101,0.00157752);(74.024298,0.00071959);(74.060674,0.00673741);(74.311887,0.00007888);(74.953581,0.00008958);(76.076326,0.00057637);(76.212901,0.00007773);(77.039163,0.00850821);(77.775007,0.00006719);(78.013997,0.00125829);(78.042714,0.00018911);(78.047011,0.02299877);(78.809365,0.00007672);(79.02182,0.01196414);(79.050555,0.00103356);(79.054814,0.02761017);(79.558079,0.00006465);(80.050149,0.00008228);(80.058153,0.00088538);(80.070932,0.00008633);(80.576101,0.00007363);(80.948391,0.00039628);(81.034067,0.0039464);(81.070455,0.00641334);(82.032167,0.00009983);(82.06565,0.00008542);(82.30287,0.00007774);(83.049802,0.00015681);(83.103271,0.00007218);(83.157743,0.0000862);(83.27757,0.00007295);(83.568448,0.00006589);(84.029168,0.00031141);(84.081303,0.00076353);(85.029935,0.04127614);(86.004037,0.00029045);(86.029404,0.00073104);(86.033326,0.0038798);(86.060642,0.00047783);(86.481707,0.00007499);(87.012274,0.00007577);(87.025721,0.0084164);(87.181143,0.00008274);(87.906874,0.00042914);(88.076221,0.00835747);(88.915142,0.00008544);(88.969124,0.00007357);(89.939875,0.00009334);(90.055431,0.00044802);(90.948213,0.00249708);(91.054715,0.06167529);(91.815804,0.00007507);(92.058031,0.00444279);(93.057724,0.00023875);(93.070339,0.04050626);(93.956294,0.00010057);(94.041711,0.0007208);(94.065554,0.00053734);(94.073761,0.00182522);(94.202192,0.00011658);(94.324084,0.00007029);(95.049606,0.06122258);(95.086027,0.00243978);(96.052972,0.00576959);(96.634045,0.00008667);(98.975664,0.00043119);(100.076084,0.00062917);(100.691481,0.00007454);(101.751244,0.00007397);(101.840918,0.00007736);(101.950325,0.00059727);(102.046783,0.00578338);(102.055457,0.00034548);(102.064064,0.00016591);(102.091805,0.02334873);(102.374245,0.00009305);(102.915129,0.001312);(103.040707,0.00238762);(103.04857,0.00122872);(103.054632,1.0);(103.095063,0.00044613);(103.348593,0.00006497);(104.057949,0.26033586);(104.062276,0.07409943);(104.367704,0.00008016);(104.930729,0.00011074);(104.9637,0.00028146);(105.033629,0.00090432);(105.036437,0.00025584);(105.045092,0.01868495);(105.061746,0.0095367);(105.065883,0.00616002);(105.070168,0.03817257);(106.041911,0.00008391);(106.048431,0.00105388);(106.065369,0.0007304);(106.073549,0.00367942);(106.370777,0.00007441);(107.049477,0.01339535);(107.060551,0.00016125);(107.073275,0.00022189);(107.085924,0.00105654);(108.052795,0.00075753);(108.493724,0.00027726);(109.028695,0.01470487);(109.032767,0.00012119);(109.065066,0.00124032);(109.076459,0.00009508);(109.101476,0.00029918);(109.263035,0.00010696);(110.042849,0.00007066);(112.019633,0.00007066);(115.054493,0.00485463);(115.145346,0.00007639);(116.070916,0.01162489);(116.986446,0.00008689);(117.057798,0.00008394);(117.070092,0.00466171);(117.074195,0.00007786);(117.498247,0.00008669);(117.57178,0.00009874);(118.065417,0.00130877);(118.086502,0.06640566);(118.822224,0.00008723);(118.925066,0.00008868);(119.019133,0.00051903);(119.049426,0.00168168);(119.060493,0.00007963);(119.08563,0.00136395);(119.089896,0.00066935);(120.038094,0.00006291);(120.044377,0.00008195);(120.057133,0.00118447);(120.081025,0.01468883);(120.102129,0.01778928);(120.940789,0.00043625);(121.065003,0.09172424);(121.084182,0.00015454);(121.088765,0.00023346);(121.10124,0.00039538);(121.105514,0.00055265);(121.712599,0.00007444);(121.99361,0.00007578);(122.036458,0.00286811);(122.068273,0.00736931);(122.081768,0.00019386);(122.105735,0.00006988);(122.404875,0.000076);(122.941094,0.00323504);(123.044245,0.00142751);(124.052063,0.0154381);(124.075944,0.00009632);(124.755709,0.0001046);(124.935896,0.0000814);(125.055254,0.00011018);(131.049216,0.29257055);(131.276731,0.00009165);(132.05246,0.08631024);(132.080885,0.00011008);(133.028319,0.00039266);(133.055833,0.00272495);(133.064823,0.02650991);(133.088649,0.00326227);(134.060754,0.00008246);(134.068092,0.00180121);(134.956177,0.00293896);(135.043991,0.00058434);(135.080323,0.00019201);(136.019675,0.00008947);(136.075519,0.0001809);(136.786706,0.00007573);(137.011902,0.00008438);(137.01787,0.00007055);(137.023291,0.003306);(137.029117,0.00021491);(137.059662,0.01886696);(137.096063,0.00009013);(138.06302,0.00075591);(139.312394,0.00007623);(140.896356,0.00007981);(142.93628,0.00007926);(144.433183,0.00008239);(145.064708,0.00007631);(146.059691,0.00008801);(147.043565,0.0000802);(147.08043,0.00494984);(148.052079,0.00028764);(148.075292,0.00018667);(148.112043,0.00416805);(149.059687,0.06571069);(150.062973,0.00642008);(150.951213,0.00255935);(151.038978,0.02585542);(151.049578,0.00008654);(151.99858,0.00009227);(152.046741,0.03189385);(152.951242,0.00038035);(152.966786,0.00111634);(155.021485,0.0000968);(155.95478,0.00054499);(157.952254,0.00062574);(162.263046,0.00008332);(162.52888,0.00010714);(162.977088,0.00008228);(163.075325,0.01198155);(164.07839,0.00282473);(164.084306,0.00043667);(164.091781,0.00179772);(164.107071,0.00068867);(164.128152,0.01344773);(165.070004,0.00173489);(165.077206,0.00378931);(165.131614,0.00008586);(166.073787,0.00009702);(166.086427,0.00026);(166.107354,0.00389365);(166.122696,0.00025305);(167.055536,0.00081758);(167.07027,0.0085962);(167.154308,0.00201311);(168.054503,0.00013242);(168.961616,0.00018082);(169.034543,0.00025486) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | low | View Spectrum | (105.07,0.169);(106.073,0.018);(124.052,0.528);(125.055,0.046);(131.049,0.041);(133.065,0.506);(134.068,0.043);(135.08,0.011);(137.06,0.552);(138.063,0.056);(149.06,0.02);(150.068,0.013);(163.075,0.03);(164.083,0.076);(165.091,1.0);(166.094,0.123) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (103.054,0.039);(105.07,0.29);(106.073,0.023);(109.028,0.163);(110.032,0.018);(121.064,0.012);(122.036,0.017);(124.052,1.0);(125.055,0.093);(131.049,0.026);(133.065,0.126);(134.068,0.012);(137.06,0.3);(138.063,0.033);(149.06,0.017);(150.067,0.018);(165.091,0.024) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | medium | View Spectrum | (81.033,0.031);(94.041,0.026);(103.054,0.114);(105.07,0.194);(107.049,0.019);(109.028,1.0);(110.032,0.087);(115.055,0.016);(122.036,0.082);(124.052,0.776);(125.056,0.074);(131.049,0.019);(133.065,0.024);(135.044,0.025);(137.06,0.116) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (81.032,0.093);(94.042,0.059);(103.054,0.075);(105.045,0.1);(107.05,0.032);(109.028,1.0);(110.032,0.081);(122.036,0.056);(124.052,0.167) | |
| LC-MS/MS | LC-ESI-QTOF | Positive | high | View Spectrum | (81.032,0.356);(105.045,0.269);(109.029,1.0) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (27.0234751,0.2259347091);(29.03912516,0.0615550478);(33.03403978,0.0434099864);(41.03912516,2.251138047);(51.0234751,0.1369528965);(53.03912516,0.2492917711);(55.01838972,0.0635172281);(55.05477522,0.2825124151);(57.03403978,0.1419847441);(65.03912516,0.1703855545);(67.05477522,0.1551618898);(73.0289544,0.0578548193);(91.05477522,0.0610692023);(99.04460446,0.0716156487);(107.0496898,0.1279140978);(109.0653399,0.1724653846);(111.0446045,0.0515778692);(111.08099,0.1918308122);(113.0602545,0.0705784436);(119.0496898,0.0728619198);(121.0653399,0.1371057875);(123.0446045,0.0593319969);(123.08099,0.119772164);(125.0602545,0.8553090102);(133.0653399,1.721554184);(135.08099,1.215215424);(137.0602545,1.222899455);(139.0759046,1.346316118);(147.08099,0.8198747668);(149.0602545,6.975827071);(165.0915547,80.86718154) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (27.0234751,1.289192703);(41.03912516,8.900830558);(47.04968984,0.4752379075);(51.0234751,0.4820330697);(53.03912516,0.4456981311);(55.05477522,0.5427380041);(57.03403978,0.5236988675);(59.04968984,0.3823338882);(65.03912516,1.273763632);(67.05477522,0.7166198024);(75.0234751,0.7625521982);(77.03912516,0.9076212021);(79.05477522,0.8674169675);(91.05477522,0.8660679039);(103.0547752,0.384169829);(105.0340398,1.37741925);(105.0704253,0.8173245158);(107.0496898,0.9920059259);(109.0653399,0.703171549);(111.08099,0.3272335108);(119.0496898,0.629643489);(121.0653399,1.254809588);(123.08099,0.474814209);(125.0602545,1.499171853);(133.0653399,4.86207701);(135.08099,6.111931462);(137.0602545,2.297801803);(139.0759046,1.293424556);(147.08099,0.8729884172);(149.0602545,12.85105555);(165.0915547,44.81515265) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (27.0234751,1.035843706);(41.03912516,15.33370993);(51.0234751,12.99299445);(53.03912516,3.143739512);(55.05477522,2.463546652);(65.03912516,6.9055735);(67.05477522,2.074362084);(75.0234751,2.596549218);(77.03912516,6.936209407);(79.05477522,1.283111009);(91.05477522,4.672648033);(93.07042529,1.9179044);(101.0391252,0.9766960439);(103.0547752,1.93629231);(105.0704253,1.377108453);(107.0496898,2.569345196);(109.0289544,2.842260766);(109.0653399,1.073989124);(115.0547752,1.58199391);(117.0704253,1.54704971);(119.0496898,4.267538845);(123.0446045,0.9886531438);(125.0602545,0.8322734631);(131.0496898,0.8568016789);(133.0289544,1.631519805);(133.0653399,2.058572846);(135.08099,1.328907728);(137.0602545,1.847685044);(147.08099,1.600673004);(149.0602545,8.375581604);(165.0915547,0.9508654301) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (15.0234751,0.0665270519);(29.00273965,0.0282706547);(31.01838972,0.2923218495);(39.0234751,0.025432097);(41.00273965,0.0787236857);(43.01838972,0.0182030921);(53.00273965,0.017129713);(55.01838972,0.2876867482);(57.03403978,0.1426917793);(59.04968984,0.039360362);(71.01330434,0.045281358);(77.03912516,0.0344592922);(89.03912516,0.020774947);(91.05477522,0.0730480521);(97.0289544,0.1987160559);(99.04460446,0.0650046315);(105.0340398,0.0210465686);(107.0496898,0.16363173);(109.0653399,0.0440123735);(111.0446045,0.0226762706);(119.0496898,0.0374387516);(121.0289544,0.0310600958);(121.0653399,0.1430909747);(123.0446045,0.1523729223);(131.0496898,0.4513164449);(133.0653399,0.499625097);(135.0446045,0.0762741916);(137.0602545,0.4962571296);(145.0653399,0.3862637253);(147.0446045,1.909130105);(163.0759046,94.13217225) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (15.0234751,0.2124906781);(31.01838972,0.350644683);(39.0234751,0.1214929957);(41.00273965,0.1787943226);(53.00273965,0.121018174);(53.03912516,0.2611743404);(55.01838972,0.5678951338);(65.03912516,0.1507837185);(75.0234751,0.2939506901);(77.03912516,0.3069697674);(89.03912516,1.508153864);(91.05477522,1.079201102);(97.0289544,0.1321297201);(103.0183897,0.1906463636);(105.0340398,1.105046728);(107.0133043,0.1414438083);(107.0496898,1.032228778);(111.0446045,0.1473985946);(115.0547752,0.2136195869);(117.0340398,0.7809354153);(119.0496898,1.036893535);(121.0289544,0.5109142537);(121.0653399,1.725706845);(123.0446045,0.3031537368);(131.0496898,2.795744057);(133.0653399,2.867605563);(135.0446045,0.6987374713);(137.0602545,1.40300386);(145.0653399,0.8089813832);(147.0446045,13.90823852);(163.0759046,65.04500231) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (39.0234751,2.020909368);(41.00273965,3.91446705);(49.00782503,0.8522040463);(53.00273965,1.180003823);(55.01838972,4.862225211);(59.04968984,0.8215738913);(63.0234751,1.123156649);(65.03912516,2.882318525);(75.0234751,2.033067412);(77.03912516,1.998448604);(89.03912516,4.851784407);(91.05477522,6.57065971);(93.03403978,1.197609358);(101.0391252,1.125003562);(103.0183897,2.22579135);(103.0547752,1.888798389);(105.0340398,5.666458948);(107.0133043,3.905203633);(107.0496898,2.249195077);(115.0547752,2.070980265);(117.0340398,7.754294939);(119.0496898,1.830971564);(121.0289544,2.063785969);(121.0653399,1.560569027);(129.0340398,0.8171947564);(131.0133043,1.243836842);(131.0496898,3.675448985);(133.0653399,5.631453891);(145.0653399,1.056684479);(147.0446045,18.63084307);(163.0759046,2.295057204) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (163.07645,100.0);(163.07645,100.0);(163.07645,100.0);(163.07645,100.0);(163.07645,100.0);(163.07645,100.0);(163.07645,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (121.0295,73.08);(131.05024,16.32);(131.05024,16.32);(131.05024,16.32);(131.05024,16.32);(135.04515,42.66);(135.04515,42.66);(135.04515,42.66);(137.0608,27.79);(137.0608,27.79);(137.0608,27.79);(137.0608,27.79);(137.0608,27.79);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(161.0608,73.57);(163.07645,72.23);(163.07645,72.23);(163.07645,72.23);(163.07645,72.23);(163.07645,72.23);(163.07645,72.23);(163.07645,72.23) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,9.52);(55.01894,9.49);(55.01894,9.49);(63.02402,25.87);(65.03967,34.83);(67.05532,9.77);(91.05532,8.17);(91.05532,8.17);(93.03459,7.49);(93.03459,7.49);(93.03459,7.49);(105.03459,13.93);(105.03459,13.93);(105.03459,13.93);(107.05024,8.67);(107.05024,8.67);(107.05024,8.67);(107.05024,8.67);(119.05024,7.35);(119.05024,7.35);(119.05024,7.35);(121.0295,73.78);(135.04515,22.97);(135.04515,22.97);(135.04515,22.97);(147.04515,9.96);(147.04515,9.96);(147.04515,9.96);(147.04515,9.96);(147.04515,9.96);(147.04515,9.96);(147.04515,9.96);(147.04515,9.96);(147.04515,9.96);(161.0608,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (41.03858,11.84);(105.03349,16.12);(105.03349,16.12);(105.03349,16.12);(105.03349,16.12);(107.04914,23.07);(107.04914,23.07);(107.04914,23.07);(107.04914,23.07);(107.04914,23.07);(125.05971,9.04);(125.05971,9.04);(125.05971,9.04);(125.05971,9.04);(125.05971,9.04);(133.06479,69.37);(133.06479,69.37);(133.06479,69.37);(133.06479,69.37);(133.06479,69.37);(135.04406,25.31);(135.04406,25.31);(135.04406,25.31);(135.04406,25.31);(135.04406,25.31);(137.05971,22.82);(137.05971,22.82);(137.05971,22.82);(137.05971,22.82);(137.05971,22.82);(137.05971,22.82);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(149.05971,13.76);(165.09101,100.0);(165.09101,100.0);(165.09101,100.0);(165.09101,100.0);(165.09101,100.0);(165.09101,100.0);(165.09101,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (41.03858,17.23);(77.03858,13.05);(77.03858,13.05);(79.05423,19.09);(79.05423,19.09);(79.05423,19.09);(91.05423,13.48);(93.06988,16.5);(93.06988,16.5);(105.03349,25.34);(105.03349,25.34);(105.03349,25.34);(105.03349,25.34);(105.06988,10.48);(107.04914,50.27);(107.04914,50.27);(107.04914,50.27);(107.04914,50.27);(107.04914,50.27);(109.06479,21.37);(109.06479,21.37);(109.06479,21.37);(109.06479,21.37);(115.05423,18.67);(121.06479,12.74);(121.06479,12.74);(121.06479,12.74);(121.06479,12.74);(121.06479,12.74);(121.06479,12.74);(123.04406,10.98);(123.04406,10.98);(123.04406,10.98);(123.04406,10.98);(123.04406,10.98);(125.05971,11.78);(125.05971,11.78);(125.05971,11.78);(125.05971,11.78);(125.05971,11.78);(133.06479,65.96);(133.06479,65.96);(133.06479,65.96);(133.06479,65.96);(133.06479,65.96);(135.04406,8.6);(135.04406,8.6);(135.04406,8.6);(135.04406,8.6);(135.04406,8.6);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(139.07536,11.26);(139.07536,11.26);(139.07536,11.26);(139.07536,11.26);(139.07536,11.26);(139.07536,11.26);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(149.05971,11.51);(165.09101,35.29);(165.09101,35.29);(165.09101,35.29);(165.09101,35.29);(165.09101,35.29);(165.09101,35.29);(165.09101,35.29) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (39.02293,24.95);(51.02293,56.53);(53.03858,11.21);(63.02293,12.76);(65.03858,66.42);(65.03858,66.42);(67.05423,30.94);(67.05423,30.94);(75.02293,47.5);(75.02293,47.5);(77.03858,100.0);(77.03858,100.0);(79.05423,83.75);(79.05423,83.75);(79.05423,83.75);(89.03858,14.62);(91.05423,48.56);(93.06988,20.09);(93.06988,20.09);(105.06988,21.28);(107.04914,15.7);(107.04914,15.7);(107.04914,15.7);(107.04914,15.7);(107.04914,15.7) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Banana | Fruit, Tropical fruits | Publications | Show | |
| Cassia cinnamon | Herbs and Spices | Show | ||
| Cinnamon | Herbs and Spices | Publications | Show | |
| Cloves | Herbs and Spices | Publications | Show | |
| Coriander | Herbs and Spices | Show | ||
| Nutmeg | Herbs and Spices | Show | ||
| Sweet basil | Herbs and Spices | Publications | Show | |
| Sweet marjoram | 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