PhytoHub: Showing entry for N-(2-Hydroxyphenyl)acetamide

N-(2-Hydroxyphenyl)acetamide

Identification

PhytoHub ID

PHUB002295

Name

N-(2-Hydroxyphenyl)acetamide

Systematic Name

N-(2-hydroxyphenyl)acetamide

Synonyms

2-Acetamidophenol
2-Acetaminophenol
HPAA
o-Hydroxyacetanilide

CAS Number

614-80-2

Average Mass

151.165

Monoisotopic Mass

151.063328534

Chemical Formula

C₈H₉NO₂

IUPAC Name

N-(2-hydroxyphenyl)ethanimidic acid

InChI Key

ADVGKWPZRIDURE-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)

SMILES

CC(O)=NC1=CC=CC=C1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.06e+00 g/l
LogS (ALOGPS): -2.15
LogP (ALOGPS): 1.06
Hydrogen Acceptors: 3
Hydrogen Donors: 2
Rotatable Bond Count: 1
Polar Surface Area: 52.82000000000001
Refractivity: 43.657
Polarizability: 15.44510713370702
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -0.032141795613778945
pKa (strongest acidic): 5.440115190832708
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 11972

Taxonomy as Metabolite

Family: N-containing compound metabolites
Class: Miscellaneous N-containing compound metabolites
Sub-class: Hydroxamic acid metabolites

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Benzene and substituted derivatives
Super-class: Benzenoids
Sub-class: Anilides
Direct Parent Name: Acetanilides
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Acetamides", "Carbonyl compounds", "Hydrocarbon derivatives", "N-acetylarylamines", "Organic oxides", "Organopnictogen compounds", "Secondary carboxylic acid amides"]
External Descriptor Annotations: Not Available
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Acetamide", "Acetanilide", "Aromatic homomonocyclic compound", "Carbonyl group", "Carboxamide group", "Carboxylic acid derivative", "Hydrocarbon derivative", "N-acetylarylamine", "N-arylamide", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenol", "Secondary carboxylic acid amide"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(39.02292522,1.438991239);(41.00219012,1.087098586);(41.03857442,0.7597058152);(43.01783932,9.162457818);(44.02566392,2.097971414);(45.03348852,2.587282173);(78.03382302,0.9369227652);(80.02566392,0.6668837562);(80.04947222,1.256438654);(81.05729682,0.8416169807);(82.04131312,0.6370646573);(107.0365617,13.48171014);(108.0396292,0.9702110393);(108.0443863,16.76071062);(109.0474605,1.208698736);(109.0522109,11.76654094);(110.0552917,0.8503094094);(110.0600355,2.977896862);(121.0522109,0.7492554381);(122.0600355,0.6668087471);(123.0678601,0.7422410792);(133.0522109,1.215174149);(134.0600355,0.8366538363);(135.0314758,0.6466327413);(136.0393004,2.011394558);(151.0627742,3.677664628)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.03115062,2.050467615);(71.03115062,1.002845499);(73.04679982,13.83732509);(74.04796012,1.18400783);(75.02606472,1.929400267);(75.06244902,1.737411974);(89.04171392,1.659659474);(91.05736312,1.439993251);(101.0417139,2.075413786);(108.0443863,2.563538287);(115.0573631,0.9662894596);(117.0730123,0.8646757733);(139.0573631,1.297997108);(153.0730123,1.785420797);(164.0526117,3.518536454);(166.0682609,3.095016055);(179.0760855,2.154895377);(180.0839101,2.517313684);(181.0917347,1.681211208);(182.0995593,1.144901926);(194.0995593,1.6491489);(205.0917347,1.058597251);(206.0995593,1.765493616);(208.0788242,2.319644202);(221.0866488,0.7672778053);(222.0944734,1.877932607);(223.102298,2.207309037);(224.1101226,1.341440459);(279.1105234,1.280181981);(280.118348,5.675076559);(281.1201456,1.444399223)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(15.02292522,0.885096247);(25.00727602,0.831373338);(39.02292522,2.409579205);(41.00219012,0.7191674893);(41.03857442,0.7422261266);(43.01783932,12.38476213);(49.00727602,0.7041756136);(51.02292522,0.8597337928);(53.03857442,1.367963869);(78.03382302,0.7348791749);(79.01783932,0.8995628594);(79.04164762,0.838896964);(80.02566392,0.9673274951);(80.04947222,1.127422088);(81.03348852,1.486913812);(81.05729682,1.031890882);(82.04131312,0.8280768373);(82.06512142,0.7676979694);(107.0365617,4.526728723);(108.0443863,12.17718546);(109.0474605,0.8781577949);(109.0522109,14.49469452);(110.0552917,1.047459504);(110.0600355,3.348140563);(121.0522109,0.8484466475);(122.0600355,0.7308732186);(123.0678601,1.043643819);(133.0522109,1.102484898);(134.0600355,1.499833721);(136.0393004,3.22785742);(151.0627742,5.848394953)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(110.0601,53.49);(134.06,1.57);(152.0706,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(110.06,53.37);(134.06,1.51);(152.0706,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.019,1.8);(107.0377,33.64);(108.0455,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0385,5.31);(82.0651,2.75);(92.0495,7.25);(93.0335,4.31);(110.0601,100.0);(111.044,12.06);(134.06,1.77);(152.0706,10.28)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(92.0495,1.86);(110.0601,100.0);(111.044,3.08);(134.0601,2.23);(152.0706,47.03)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0378,11.93);(108.0455,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(108.0454,100.0);(150.056,4.52)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(108.0455,100.0);(150.056,4.79)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0385,100.0);(67.0416,3.0);(80.0494,2.42);(82.0651,11.88);(92.0495,31.14);(93.0335,17.35);(109.0523,5.86);(110.06,82.64);(111.044,51.26)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0386,29.6);(67.0542,1.13);(82.0652,6.93);(92.0495,17.75);(93.0336,11.4);(109.0523,2.02);(110.0601,100.0);(111.044,30.81);(134.06,1.55);(152.0707,2.43)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0377,3.24);(108.0455,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(108.0454,100.0)
LC-MS/MS	LC-ESI-QFT	Positive	low	View Spectrum	(65.0387,0.00158132);(82.0651,0.00110382);(92.0495,0.00330495);(93.0336,0.00150641);(110.0601,0.53488321);(111.044,0.00831007);(134.06,0.01573012);(152.0706,1.0)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(65.0397,0.00204059);(81.0347,0.0028073);(90.035,0.00345388);(91.019,0.00561137);(107.0378,0.11925842);(108.0455,1.0);(132.0455,0.00249982);(134.0248,0.00111992)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(65.0386,0.001951);(82.065,0.00107135);(92.0496,0.0033144);(93.0336,0.00193141);(110.06,0.53365295);(111.0441,0.00764084);(134.06,0.0151221);(152.0706,1.0)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(65.0385,0.00951347);(67.0541,0.00137801);(82.0651,0.00736087);(92.0495,0.0185615);(93.0336,0.00989084);(109.0522,0.0018353);(110.0601,1.0);(111.044,0.0307597);(134.0601,0.02233138);(152.0706,0.47029779)
LC-MS/MS	LC-ESI-Q	Positive	low	View Spectrum	(110.06,0.535);(134.06,0.016);(152.071,1.0)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(65.0385,0.05309266);(67.0416,0.00137901);(67.0541,0.00341411);(80.0494,0.00158044);(82.0651,0.02750341);(92.0495,0.07245092);(93.0335,0.04305752);(93.0574,0.00330442);(109.0524,0.00441951);(110.0601,1.0);(111.044,0.12058918);(125.0595,0.00132107);(134.06,0.01765036);(152.0706,0.10284629)
LC-MS/MS	LC-ESI-Q	Positive	medium	View Spectrum	(110.06,0.534);(134.06,0.015);(152.071,1.0)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(55.0179,0.00169607);(55.0543,0.00204136);(65.0386,0.29601184);(67.0416,0.00696657);(67.0542,0.01127924);(68.0495,0.00200011);(69.0333,0.00118809);(80.0494,0.00770539);(81.0574,0.00392755);(82.0652,0.06931387);(83.0491,0.00303039);(92.0495,0.17745547);(93.0336,0.1139576);(93.0573,0.0164607);(107.0489,0.00107012);(109.0523,0.02024496);(110.0601,1.0);(111.044,0.3081043);(125.0598,0.00428962);(134.06,0.01549398);(152.0707,0.02430743)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(65.038,0.01);(92.05,0.019);(93.034,0.01);(110.06,1.0);(111.044,0.031);(134.06,0.022);(152.071,0.47)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(53.0023,0.00467001);(55.0179,0.00472144);(55.0542,0.0076204);(65.0385,1.0);(67.0416,0.03004046);(67.0542,0.01408391);(68.0494,0.00267086);(69.0336,0.00254297);(79.0177,0.00210236);(80.0494,0.02422793);(81.0573,0.00954248);(82.0651,0.11878642);(83.0491,0.00667114);(92.0495,0.31135056);(93.0335,0.17345862);(93.0573,0.05252744);(109.0523,0.05856118);(110.06,0.82637401);(111.044,0.51262515);(125.0596,0.0058176);(134.0602,0.00652149);(152.0707,0.00400561)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(65.038,0.053);(82.065,0.028);(92.05,0.072);(93.034,0.043);(110.06,1.0);(111.044,0.121);(134.06,0.018);(152.071,0.103)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(65.039,0.296);(67.054,0.011);(82.065,0.069);(92.05,0.177);(93.034,0.114);(93.057,0.016);(109.052,0.02);(110.06,1.0);(111.044,0.308);(134.06,0.015);(152.071,0.024)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(65.0397,0.00305788);(67.019,0.00145491);(78.0349,0.00176745);(81.0346,0.00569397);(90.035,0.00706508);(91.019,0.01798959);(95.0137,0.00134379);(107.0377,0.33636929);(108.0455,1.0);(132.0455,0.00200388);(134.0249,0.00144621)
LC-MS/MS	LC-ESI-Q	Negative	high	View Spectrum	(91.019,0.018);(107.038,0.336);(108.046,1.0)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(65.038,1.0);(67.042,0.03);(67.054,0.014);(80.049,0.024);(81.057,0.01);(82.065,0.119);(92.05,0.311);(93.034,0.173);(93.057,0.053);(109.052,0.059);(110.06,0.826);(111.044,0.513)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.068757,0.0000212);(50.211505,0.00003036);(50.246275,0.0000459);(50.346475,0.00006337);(50.604074,0.00006311);(51.600486,0.00005876);(52.03781,0.00004292);(52.366922,0.00004646);(52.444887,0.00004493);(52.980124,0.00006772);(53.510395,0.0000726);(53.981215,0.00005707);(54.233042,0.00002877);(54.484433,0.00006901);(54.727606,0.00006533);(55.168431,0.00002961);(55.660287,0.00004941);(55.772467,0.00002109);(57.038891,0.00004137);(57.298044,0.00006413);(58.033491,0.0000469);(60.020383,0.00010711);(60.027002,0.00003632);(60.486786,0.00007788);(61.7262,0.00003428);(62.863348,0.0000211);(63.018238,0.00006916);(63.920967,0.00002747);(63.995054,0.00004135);(64.275473,0.00010563);(64.446548,0.00002279);(64.501752,0.00004899);(64.668533,0.00008612);(64.866923,0.00005563);(65.228183,0.00005548);(66.118334,0.00002572);(66.468847,0.0000584);(68.253699,0.00003007);(68.907767,0.00004255);(69.738842,0.00006411);(69.779476,0.00003368);(69.810232,0.00004278);(70.813771,0.00005065);(71.147774,0.00003046);(71.279754,0.00005674);(72.199842,0.00005187);(72.20595,0.00006492);(72.948248,0.0000457);(75.668213,0.00004532);(76.090736,0.00002587);(76.252784,0.00010967);(76.318665,0.00010289);(76.429729,0.00003978);(76.615056,0.0000315);(76.988069,0.00002656);(78.635245,0.00004539);(79.064843,0.00004416);(79.22417,0.0000526);(79.680947,0.00003788);(79.806128,0.00011721);(79.956021,0.00056585);(80.96389,0.0002021);(82.117675,0.00010548);(85.986111,0.00002008);(86.364848,0.00007249);(87.462822,0.00004771);(88.405364,0.00004755);(89.060987,0.00009637);(89.429805,0.00003197);(89.96244,0.00005566);(90.612427,0.00002752);(90.90427,0.00006924);(91.460135,0.00006139);(92.103602,0.00011226);(92.53216,0.00003939);(93.074511,0.00004262);(93.162301,0.00007568);(93.376129,0.00005184);(94.232061,0.0000498);(94.24881,0.00006397);(94.616844,0.00004935);(95.663147,0.00006481);(96.958464,0.00002392);(97.160635,0.00007477);(98.474315,0.00007541);(101.002978,0.00005024);(102.448894,0.00004489);(102.826728,0.00007744);(104.05748,0.00002252);(106.868205,0.00002003);(107.036301,0.00122267);(107.83658,0.00003255);(108.037648,0.00065221);(108.044127,1.0);(109.041145,0.00422918);(109.047515,0.08203398);(110.048082,0.00016095);(110.513097,0.00004147);(111.166704,0.00004371);(111.532524,0.00009852);(111.634947,0.00007624);(111.811376,0.00009446);(112.180998,0.00004894);(114.722175,0.00004487);(119.041318,0.00003934);(119.372742,0.0000467);(119.437771,0.00006348);(119.716113,0.0000439);(122.452229,0.00003177);(122.9439,0.00004647);(123.61287,0.0000321);(124.206451,0.00002368);(125.668572,0.00006651);(125.953615,0.00012392);(128.119652,0.00009371);(128.745011,0.00003888);(129.192613,0.00008693);(130.370992,0.0000576);(131.416163,0.00007246);(132.044283,0.00502714);(132.128221,0.00005179);(133.845793,0.00004926);(133.9632,0.00007175);(134.066688,0.00009379);(135.045928,0.00010164);(138.194405,0.00005279);(140.271696,0.00007036);(141.669068,0.00009517);(142.336589,0.00006515);(144.132413,0.00002271);(145.167096,0.0001111);(146.047394,0.00003751);(146.357872,0.0000384);(146.378796,0.00003889);(147.870279,0.00006206);(148.951407,0.00010092);(149.008378,0.0000613);(150.054882,0.05387364);(151.058174,0.00636228);(153.43228,0.00004226)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.061745,0.0000019);(50.93287,0.00000564);(50.972505,0.0001386);(51.476298,0.00060108);(51.557217,0.00009124);(51.558031,0.0001397);(51.986615,0.00000799);(52.377685,0.00000723);(52.507533,0.00000597);(52.864557,0.00000694);(53.721174,0.00000769);(53.845054,0.00000506);(54.221551,0.00000125);(54.495621,0.00000774);(55.634426,0.00000434);(55.95746,0.00000317);(56.049607,0.00000358);(56.078913,0.00000226);(56.965018,0.00176695);(57.011152,0.00000315);(57.934916,0.00011041);(58.342694,0.00000741);(58.932725,0.00001496);(58.953928,0.00000641);(58.986286,0.0000499);(58.987874,0.00587616);(59.014234,0.00000674);(59.327332,0.00000698);(59.470446,0.00000109);(59.487712,0.00000552);(59.489653,0.00005532);(59.633737,0.00000648);(59.93035,0.00000131);(59.977629,0.00006705);(59.985845,0.00005406);(60.48138,0.00107922);(61.010841,0.00386741);(61.862044,0.00000823);(62.014067,0.00003192);(62.018608,0.00005398);(62.866166,0.00000128);(62.905307,0.00000115);(62.990043,0.00035903);(63.006496,0.00007641);(63.026376,0.000185);(63.531422,0.00000602);(63.717218,0.0000013);(63.90832,0.00000122);(63.976882,0.00000529);(63.997775,0.00037488);(64.103505,0.00000745);(64.395486,0.00000669);(65.001331,0.00000822);(65.609567,0.00000703);(66.183821,0.00000631);(66.67948,0.0000063);(66.836043,0.00000486);(67.054238,0.00000691);(67.097817,0.00000196);(67.489309,0.00000877);(67.990097,0.00004077);(67.99298,0.01363236);(68.492763,0.00003638);(68.494787,0.00018944);(68.546507,0.00000594);(68.98269,0.000045);(68.991001,0.00029528);(69.486478,0.00139928);(70.065129,0.00014456);(70.066887,0.00000197);(70.355992,0.00000765);(70.980254,0.00002106);(71.049184,0.00000216);(71.951799,0.00002603);(72.386143,0.00000437);(73.010651,0.00015984);(73.046768,0.00013149);(73.064662,0.0000089);(73.774,0.00000313);(73.956073,0.00046336);(74.096344,0.00004674);(74.930926,0.00084756);(74.975299,0.00037138);(74.998691,0.00000573);(75.000765,0.00051109);(75.026198,0.00000489);(75.043955,0.0000039);(75.945275,0.0000084);(76.616973,0.00000125);(76.998246,0.02220164);(77.041876,0.00001232);(77.133189,0.00000185);(77.155612,0.00000455);(77.497756,0.00005924);(77.49999,0.00035774);(77.927679,0.0000067);(77.987775,0.00002387);(77.993886,0.00000506);(77.996191,0.00054603);(78.000405,0.00003927);(78.013228,0.00074891);(78.491785,0.00075397);(78.510696,0.00000359);(78.810493,0.00000557);(79.017135,0.00000262);(79.02122,0.00329829);(79.054191,0.00000462);(79.373766,0.00000849);(79.500995,0.00003236);(80.024611,0.00001272);(80.209786,0.00000118);(80.664126,0.00000728);(81.01695,0.00011543);(81.069753,0.00000656);(81.175348,0.00000567);(82.467173,0.00059768);(82.971011,0.00106784);(83.465175,0.00000769);(84.006017,0.00072128);(84.080495,0.00000354);(84.14992,0.00000754);(84.671652,0.00000217);(85.551831,0.00000203);(86.003565,0.02435061);(86.063949,0.00000539);(86.50281,0.00002587);(86.50523,0.00031213);(87.001393,0.00066166);(87.005818,0.00010612);(87.026192,0.00000192);(87.49694,0.00002847);(87.928939,0.00000875);(88.075745,0.00030021);(88.506156,0.00001832);(88.822998,0.00000859);(89.005333,0.00000131);(89.059622,0.00024724);(89.138404,0.00000767);(89.475306,0.00001442);(89.533825,0.00000122);(89.978921,0.00366248);(90.036222,0.00000903);(90.48287,0.0296347);(90.977173,0.00008349);(90.982105,0.00002798);(90.98494,0.00066144);(91.054201,0.00002163);(91.057374,0.00010842);(91.472857,0.00001613);(91.480849,0.00134463);(91.484114,0.00001799);(91.966378,0.00003808);(91.97631,0.0013923);(92.049532,0.00000427);(92.974486,0.00002772);(92.982622,0.00000399);(93.011353,0.00081679);(93.03681,0.00098146);(93.069864,0.00002653);(95.008757,0.00113659);(95.085535,0.00002858);(97.039622,0.00000352);(97.490678,0.00000921);(97.511408,0.00001147);(97.988862,0.00025684);(97.994657,0.12880815);(98.496744,0.00414105);(98.984416,0.00487603);(98.992584,0.0054797);(98.996323,0.00023277);(99.214684,0.00000299);(99.482217,0.00033787);(99.488174,0.20767559);(99.760342,0.00000937);(99.98205,0.0001158);(99.989826,0.00453301);(100.48612,0.00997416);(100.490032,0.00082437);(100.981744,0.00054861);(102.952833,0.00018516);(103.92394,0.00006872);(104.052757,0.00000164);(104.982817,0.00000179);(105.99231,0.00007457);(106.086267,0.0000051);(106.496796,0.00632215);(106.508721,0.00007969);(106.693841,0.00009104);(106.69818,0.00025369);(106.919353,0.00000628);(106.99313,0.00002466);(106.999893,1.0);(107.0156,0.00003231);(107.025222,0.00003407);(107.032422,0.0000101);(107.066689,0.00000871);(107.080076,0.00000985);(107.085076,0.00000248);(107.302941,0.00027846);(107.307412,0.00016559);(107.493332,0.00000703);(107.500637,0.04337329);(107.989447,0.00304756);(107.997481,0.04556671);(108.00128,0.00355562);(108.180628,0.00000138);(108.486295,0.00055918);(108.493087,0.21590997);(108.80296,0.00001127);(108.98689,0.0000277);(108.995154,0.00538609);(109.014208,0.0000015);(109.052096,0.00003108);(109.064915,0.00000162);(109.101058,0.00000982);(109.49127,0.01097579);(109.495311,0.00127565);(110.05993,0.00404367);(110.996008,0.00128422);(111.043832,0.00000194);(111.055539,0.0000086);(111.063323,0.00016319);(111.497372,0.00000591);(112.999822,0.00019574);(114.007905,0.04089828);(114.024927,0.00000575);(114.091238,0.0000814);(114.487602,0.00002398);(114.509887,0.00189832);(114.986155,0.00006073);(114.997442,0.00002431);(115.005985,0.00172956);(115.010069,0.00012463);(115.023836,0.00000154);(115.501677,0.00699376);(115.659907,0.00005608);(115.664303,0.00008956);(115.997735,0.00079646);(116.0051,0.49310102);(116.025314,0.00000244);(116.03137,0.00000872);(116.34735,0.00006668);(116.351857,0.00003444);(116.498829,0.00000892);(116.506457,0.02093724);(116.968357,0.00002848);(117.002845,0.02178777);(117.006982,0.00247528);(117.498414,0.00307224);(117.505405,0.0000019);(117.976089,0.00005531);(117.999865,0.00001728);(118.004985,0.00003654);(118.49674,0.00013051);(118.507865,0.00636134);(118.947336,0.00139117);(119.009678,0.00032276);(119.505824,0.00022998);(119.955414,0.00002893);(119.981575,0.00002245);(120.00146,0.00064214);(120.006701,0.00000784);(120.044126,0.0000027);(120.07514,0.00000853);(120.482369,0.00000608);(120.981267,0.0000688);(121.039333,0.00001348);(121.0522,0.00001232);(121.978373,0.00000949);(122.005382,0.0000203);(122.508849,0.00006651);(122.931188,0.00000759);(122.940612,0.00006659);(123.012961,0.01433091);(123.492951,0.00001223);(123.514723,0.00073346);(124.01071,0.00053887);(124.01561,0.00002965);(124.075787,0.00000148);(124.506828,0.00001695);(125.010157,0.00322726);(125.512017,0.00005764);(126.008074,0.00004819);(127.009619,0.00000169);(127.015402,0.00010682);(127.51321,0.00109009);(128.005109,0.00010253);(128.014447,0.00002167);(128.023392,0.00022478);(128.510911,0.00000468);(128.986378,0.00006637);(129.489912,0.01605765);(129.517064,0.00000153);(129.991426,0.00086185);(130.021014,0.00025556);(130.487909,0.00107821);(132.017877,0.00000194);(132.101817,0.00088451);(133.105205,0.00003851);(134.023257,0.00008931);(134.060023,0.00000875);(134.521047,0.00007142);(134.978664,0.00177301);(135.080144,0.00000272);(135.986999,0.00000315);(136.021111,0.00000351);(136.958028,0.00109353);(137.001648,0.0243046);(137.029021,0.00000196);(137.503198,0.00151566);(137.928312,0.00017188);(137.999414,0.00173851);(138.494984,0.00247793);(138.926285,0.00000978);(138.936078,0.00008663);(138.953803,0.00000934);(138.996492,0.00006049);(139.050235,0.00008367);(139.466444,0.00000151);(139.493317,0.00009616);(139.923754,0.00000168);(141.529108,0.00022365);(145.503078,0.00003395);(145.937832,0.00000718);(146.006625,0.00114322);(146.508511,0.00001324);(147.004792,0.00000809);(147.031463,0.00001274);(148.272303,0.00000757);(150.055357,0.00000608);(150.077745,0.00000771);(150.09157,0.00002184);(150.102712,0.00001607);(150.112456,0.00211347);(150.127614,0.00004663);(150.394897,0.00000662);(150.951214,0.00002422);(151.024588,0.00116225);(151.060832,0.00034908);(151.078877,0.00005076);(151.086351,0.00000417);(151.116271,0.00016581);(151.12279,0.00001462);(151.970199,0.00034768);(152.016894,0.00000533);(152.02822,0.00000905);(152.056823,0.00001089);(152.070705,0.00039141);(152.081948,0.00000186);(152.107053,0.00053488);(152.117804,0.00001209);(152.14363,0.00000649);(152.945093,0.00001663);(152.951565,0.00006197);(152.98924,0.00027107);(153.020553,0.00003656);(153.039748,0.00000176);(153.058017,0.00000186);(153.065671,0.00000621);(153.073824,0.00000237);(153.090794,0.00000273);(153.10232,0.00029041);(153.109419,0.00000821);(153.127356,0.00000234);(153.138708,0.00001988);(153.959324,0.00099891);(154.032284,0.00011508);(154.04342,0.00022994);(154.086545,0.00003781);(154.097748,0.00000224);(154.123002,0.00002182);(154.957384,0.00038226);(154.968864,0.0003558);(155.954919,0.00037337);(156.946571,0.00005983)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.972448,0.00031271);(50.989205,0.00000386);(51.073768,0.0000091);(51.475038,0.0000131);(51.476379,0.00122119);(51.556715,0.00006989);(51.557346,0.00008378);(51.557962,0.00011362);(51.605938,0.00001249);(53.351527,0.00000469);(53.655341,0.00001831);(53.726419,0.00001394);(53.8149,0.00000376);(54.159031,0.00001488);(54.809441,0.00000383);(55.813078,0.00000352);(56.049523,0.0000097);(56.4937,0.00001539);(56.911991,0.00001607);(56.964937,0.01062308);(57.934889,0.00046358);(57.987105,0.00000339);(58.067055,0.00001442);(58.887291,0.00001133);(58.932739,0.00023265);(58.985374,0.0000079);(58.98617,0.00012917);(58.987807,0.00824263);(59.160296,0.00000454);(59.489614,0.00004871);(59.548005,0.00000333);(59.665017,0.00001272);(59.895306,0.00001677);(59.910126,0.00000431);(59.930256,0.00001395);(59.97743,0.00019041);(59.984031,0.00001063);(59.985868,0.00007653);(60.478768,0.00001001);(60.481251,0.00378085);(60.516329,0.00001022);(60.991613,0.00001454);(61.010753,0.00790713);(61.045329,0.00001253);(61.479035,0.00000752);(61.551106,0.00001156);(61.891171,0.00000865);(62.010046,0.00000393);(62.013926,0.00006872);(62.018551,0.00017932);(62.989988,0.00144082);(63.006382,0.00015682);(63.026385,0.00020266);(63.897506,0.00000829);(63.997786,0.00223546);(64.274189,0.00001416);(65.979718,0.00001131);(67.054102,0.00001888);(67.330099,0.00001507);(67.489181,0.00006304);(67.609747,0.00001553);(67.661184,0.00000491);(67.989795,0.00004115);(67.992887,0.02369135);(68.492662,0.00009136);(68.494738,0.00028757);(68.90941,0.00001976);(68.982588,0.00053564);(68.990899,0.00045133);(69.06979,0.00000482);(69.486433,0.0064459);(69.593653,0.00001874);(70.065058,0.00058921);(70.484283,0.00004142);(70.836462,0.00001722);(70.98023,0.00009066);(71.008094,0.00000362);(71.951719,0.0001845);(72.958309,0.00001315);(73.010577,0.00032899);(73.046703,0.00031774);(73.892342,0.00001102);(73.956037,0.00101758);(74.096117,0.00002188);(74.930742,0.00145261);(74.975202,0.00248783);(75.000594,0.00069313);(75.025997,0.0000051);(75.043816,0.00000721);(75.062032,0.00001458);(75.509067,0.00000519);(75.945042,0.00002263);(76.494199,0.00008906);(76.81288,0.00001052);(76.998118,0.11306675);(77.041652,0.00003518);(77.375331,0.00000923);(77.497776,0.00044576);(77.499809,0.00205507);(77.987734,0.00060586);(77.996026,0.00260871);(78.000238,0.00045732);(78.013235,0.00127544);(78.49169,0.00547241);(79.021078,0.01294675);(79.05407,0.00002075);(79.489356,0.00002322);(79.500986,0.00007379);(80.02006,0.00001649);(80.024464,0.0001958);(80.575963,0.00000482);(81.016732,0.00022206);(81.069677,0.00001857);(81.694021,0.00000434);(81.962968,0.00002295);(82.065008,0.00000662);(82.466973,0.00166332);(82.966982,0.00000991);(82.96763,0.00000975);(82.970944,0.0032228);(83.836875,0.00001779);(83.968923,0.00003005);(84.005959,0.003816);(84.081183,0.00001508);(84.507381,0.00001341);(85.499625,0.00006123);(86.003405,0.21014482);(86.222757,0.00001467);(86.505356,0.00354314);(86.993198,0.00002214);(86.998419,0.00008054);(87.001319,0.00503358);(87.005526,0.0014457);(87.496951,0.00058092);(87.928347,0.00001199);(88.075457,0.00082243);(88.506202,0.00053104);(89.059648,0.00012058);(89.978716,0.00482372);(90.477501,0.0000204);(90.482703,0.05716366);(90.968587,0.00002201);(90.976847,0.00010231);(90.98214,0.00007478);(90.984722,0.00127084);(91.013981,0.0000103);(91.053903,0.00006999);(91.057097,0.00034181);(91.472487,0.00019703);(91.480562,0.00233307);(91.484658,0.00001621);(91.966575,0.00008503);(91.976243,0.00455103);(92.003328,0.00001156);(92.049138,0.00003788);(92.973965,0.00004319);(92.982719,0.00000631);(92.985519,0.00000862);(93.011281,0.00696492);(93.033563,0.00001475);(93.036751,0.0012048);(93.069732,0.00003293);(93.513037,0.00007667);(93.955763,0.00001505);(94.009016,0.00000868);(95.008702,0.01049118);(95.085107,0.00004409);(95.510346,0.00010906);(95.851974,0.00001611);(96.006611,0.00016458);(97.511481,0.00083507);(97.99449,0.0965513);(98.261192,0.00001487);(98.49657,0.00314792);(98.984446,0.0128158);(98.992503,0.00408677);(98.996226,0.00019689);(99.213695,0.00007046);(99.216784,0.00022159);(99.473617,0.00008373);(99.481947,0.00116621);(99.487931,0.64270433);(99.50394,0.0001869);(99.510252,0.00001299);(99.519447,0.00001245);(99.76044,0.00019458);(99.763048,0.00006435);(99.981673,0.00055006);(99.989342,0.01588421);(100.018797,0.00001801);(100.477741,0.00012403);(100.485848,0.0286892);(100.489832,0.00256279);(100.936136,0.00001694);(100.98151,0.0028466);(101.979255,0.00001195);(102.016367,0.00013879);(102.952256,0.00056673);(103.923707,0.00045044);(105.069527,0.00000411);(105.488457,0.0000357);(105.992393,0.00032129);(106.086469,0.00000494);(106.496425,0.02191173);(106.516468,0.00000381);(106.697377,0.00038054);(106.984124,0.00019577);(106.993366,0.0005985);(106.999902,1.0);(107.010682,0.00018811);(107.025021,0.00001398);(107.034598,0.00001394);(107.085001,0.00000555);(107.303908,0.00034054);(107.493184,0.00038965);(107.501282,0.03656431);(107.970596,0.0000048);(107.989647,0.01196522);(107.997724,0.04344075);(108.001684,0.00410907);(108.044388,0.00000538);(108.181076,0.00008203);(108.183918,0.00026378);(108.486045,0.0016645);(108.493003,0.84922926);(108.511136,0.00013586);(108.803364,0.00024835);(108.806473,0.00007721);(108.986823,0.00002049);(108.9947,0.02420772);(109.013723,0.000004);(109.051477,0.00005692);(109.063982,0.00000459);(109.100404,0.0000046);(109.490983,0.04068986);(109.494959,0.00522788);(109.986548,0.00040651);(109.996494,0.00002111);(110.0597,0.00609886);(110.49313,0.00007272);(110.995983,0.00388037);(111.043792,0.00002431);(111.05494,0.00005686);(111.062916,0.00017697);(111.497654,0.00005889);(111.993513,0.0000766);(112.724487,0.00001693);(112.999942,0.00010092);(114.007676,0.037485);(114.024315,0.00010261);(114.091362,0.00023169);(114.487769,0.00001092);(114.493395,0.00000772);(114.509462,0.00167264);(114.986036,0.0000038);(114.997419,0.00030509);(115.005631,0.00149212);(115.009754,0.00009397);(115.501363,0.02840112);(115.66327,0.00014787);(115.986956,0.00019892);(115.997483,0.0003473);(116.004921,0.54937308);(116.023887,0.00002902);(116.03126,0.00000737);(116.34811,0.00010003);(116.498464,0.0006436);(116.506459,0.0212876);(116.968193,0.00003783);(117.002763,0.02486737);(117.006926,0.00302853);(117.498403,0.00694757);(117.505828,0.00001955);(117.976003,0.00003314);(118.000215,0.00014156);(118.496453,0.00021077);(118.50771,0.00571551);(118.947305,0.00180323);(119.009587,0.00017131);(119.5054,0.00012239);(119.954994,0.00026113);(120.001303,0.00250728);(120.00606,0.00002449);(120.007769,0.00002118);(120.503338,0.00003251);(120.511388,0.00003983);(120.980622,0.00001675);(121.039519,0.00002999);(121.052073,0.00003641);(122.004849,0.00002658);(122.508952,0.00043249);(122.930494,0.00002697);(122.940723,0.00001737);(123.012849,0.01525413);(123.091417,0.00000621);(123.514385,0.00075048);(123.938588,0.00001405);(124.010821,0.00059438);(124.076,0.00000472);(124.506336,0.00004593);(124.93572,0.00001546);(125.010519,0.00033355);(126.055003,0.00000422);(126.511142,0.00001112);(127.009389,0.00004694);(127.015359,0.00004803);(127.512974,0.00116164);(128.005425,0.00003485);(128.023253,0.00008466);(129.489787,0.0024561);(129.516591,0.00000692);(129.991376,0.00003848);(130.020628,0.00020435);(130.487797,0.00003473);(132.101723,0.00150196);(133.105154,0.0000613);(134.017114,0.00011097);(134.023265,0.00007675);(134.059979,0.00002184);(134.48514,0.00001071);(134.520549,0.00002213);(134.919308,0.0000049);(134.978586,0.00387603);(135.080286,0.00000499);(136.099159,0.00000637);(136.497715,0.00000936);(136.957819,0.00152108);(137.001548,0.00173478);(137.081413,0.00002416);(137.2786,0.00000501);(137.502908,0.00003294);(137.927806,0.00029771);(137.964972,0.00000512);(138.438857,0.0000146);(138.495057,0.00040721);(138.792145,0.00001662);(138.925647,0.00005368);(138.935392,0.00004124);(138.953519,0.00001711);(139.049942,0.00006158);(139.923567,0.00000694);(140.434267,0.00001629);(141.528515,0.00006134);(143.939371,0.00001189);(145.938181,0.00008231);(146.006796,0.0000287);(147.949985,0.00001675);(150.077094,0.00001163);(150.090957,0.0000068);(150.10211,0.0000303);(150.112279,0.00143528);(150.127561,0.00002066);(150.950917,0.00000627);(151.024388,0.00054684);(151.060419,0.00013386);(151.116049,0.000084);(151.122649,0.00000908);(151.969869,0.00007302);(151.989362,0.00001582);(152.016832,0.00000511);(152.05659,0.00002492);(152.070405,0.00014485);(152.106794,0.00058587);(152.118003,0.00002012);(152.14285,0.00000577);(152.930454,0.00000415);(152.989048,0.00090009);(153.065775,0.00000534);(153.1023,0.00022481);(153.108997,0.00001263);(153.126719,0.00000425);(153.138874,0.00005203);(153.726918,0.00002138);(153.755999,0.00001558);(153.959187,0.00106832);(154.031929,0.00004943);(154.043183,0.00015501);(154.049305,0.00000447);(154.08672,0.000006);(154.096789,0.00000482);(154.122047,0.00001217);(154.957044,0.00038711);(154.968247,0.0004566);(155.954542,0.00035638);(156.688321,0.00001606);(156.946024,0.00009309)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.971222,0.00004595);(50.972476,0.00071663);(51.476314,0.00198343);(52.689834,0.00001877);(52.969663,0.00000843);(53.991872,0.00001761);(54.00472,0.00000431);(54.04983,0.00001455);(55.793796,0.00000372);(56.002053,0.00003073);(56.049658,0.00002218);(56.432797,0.00001361);(56.964932,0.06735678);(57.281778,0.00001582);(57.934912,0.00158534);(57.987482,0.00000408);(58.932776,0.00122358);(58.960796,0.00004881);(58.969191,0.000005);(58.986047,0.00012028);(58.987727,0.0117459);(58.994855,0.00000412);(59.489477,0.00002592);(59.737175,0.00001992);(59.810603,0.00001747);(59.930268,0.00041854);(59.977352,0.00163549);(59.985792,0.00015383);(60.481273,0.0086316);(60.599343,0.00001789);(60.776842,0.00001816);(61.010752,0.00815857);(61.479238,0.00005326);(61.733826,0.00000425);(61.974939,0.00012512);(62.010275,0.00000382);(62.013977,0.00002708);(62.018599,0.00020168);(62.280114,0.0000098);(62.894751,0.00001538);(62.980393,0.00000365);(62.988242,0.00013346);(62.99,0.00878058);(62.99879,0.00000519);(63.006439,0.00011184);(63.026416,0.00005745);(63.772581,0.00001384);(63.997791,0.01675348);(64.985574,0.00007126);(65.001142,0.00002227);(65.038498,0.00014348);(65.993655,0.00022325);(66.268767,0.0000174);(67.054315,0.0000486);(67.489199,0.00018623);(67.542975,0.00001453);(67.992936,0.0689724);(68.049097,0.00000771);(68.492563,0.00028095);(68.494649,0.0012994);(68.636262,0.00002484);(68.982557,0.00466792);(68.984374,0.00007989);(68.99072,0.00148157);(68.995259,0.0000469);(69.486475,0.0306938);(69.986066,0.00011498);(69.988324,0.00014939);(70.06512,0.00145738);(70.484257,0.00058352);(70.488846,0.00000451);(70.957968,0.00000506);(70.980162,0.00107505);(71.068433,0.0000181);(71.951757,0.0009183);(72.937209,0.00000979);(72.997758,0.00002358);(73.010646,0.00024459);(73.046809,0.0004144);(73.956215,0.00138759);(74.096076,0.00004356);(74.927695,0.00001684);(74.930653,0.00161914);(74.975232,0.01384562);(75.000536,0.00192997);(75.983534,0.00002102);(75.990556,0.0000303);(76.494169,0.00100781);(76.811236,0.00013739);(76.81356,0.00014479);(76.988371,0.00009374);(76.994105,0.00121673);(76.998097,0.73885345);(77.183236,0.00015147);(77.185605,0.00005985);(77.497653,0.00340032);(77.499729,0.01231259);(77.98769,0.00568806);(77.995963,0.01699878);(78.000013,0.0036909);(78.013323,0.00186222);(78.491642,0.04923289);(78.990953,0.00006661);(78.993616,0.00031454);(79.021042,0.06169063);(79.05416,0.00003822);(79.489373,0.00128419);(79.493761,0.00020896);(79.501032,0.00030349);(80.020193,0.00031607);(80.024545,0.00112345);(80.994422,0.00001421);(81.016676,0.00112929);(81.069794,0.00000884);(82.065071,0.00002531);(82.467078,0.00155233);(82.971046,0.00344825);(82.998112,0.00003395);(84.005988,0.02881755);(84.505324,0.00001229);(84.507601,0.00053037);(84.996174,0.00014158);(85.003973,0.00040948);(85.008099,0.00001953);(85.499987,0.00159692);(85.782911,0.00014314);(85.785739,0.00022651);(85.991941,0.00009384);(85.998723,0.00103022);(86.003383,1.0);(86.22196,0.00017331);(86.224736,0.00013098);(86.50502,0.01672129);(86.993135,0.00006137);(87.001158,0.02370755);(87.005299,0.00660978);(87.496913,0.00418547);(88.07541,0.00098855);(88.506191,0.00418011);(88.937043,0.00003361);(88.991112,0.0001631);(89.007712,0.00003362);(89.503968,0.00005847);(89.962252,0.00006688);(89.97875,0.00333564);(90.00611,0.0000106);(90.482713,0.07009985);(90.718681,0.00001157);(90.976861,0.00002902);(90.98205,0.00007273);(90.984648,0.00148924);(91.013985,0.00041791);(91.053839,0.00006543);(91.057146,0.00050088);(91.472754,0.00116067);(91.480535,0.00309258);(91.966969,0.00019567);(91.976336,0.00842611);(92.003347,0.00017017);(92.048999,0.00051238);(92.97404,0.00013679);(92.985555,0.00052743);(93.011247,0.03511114);(93.033482,0.00010478);(93.036908,0.00042055);(93.056982,0.00001129);(93.070127,0.00002339);(93.513231,0.0008706);(93.955819,0.00002332);(94.000859,0.00014595);(94.008984,0.00069732);(94.01279,0.00002989);(94.504498,0.00000812);(95.008685,0.0274144);(95.085164,0.0000154);(95.510504,0.00026052);(95.514224,0.00012264);(96.006389,0.00050895);(96.010769,0.00010005);(97.013717,0.00002135);(97.511536,0.00349161);(97.994525,0.02538893);(98.012973,0.00000807);(98.0213,0.00006318);(98.496244,0.00086051);(98.509178,0.0000068);(98.984472,0.01698489);(98.992646,0.00097126);(99.21367,0.0000884);(99.21734,0.00012873);(99.473955,0.00007698);(99.481949,0.00222023);(99.487945,0.74963346);(99.759707,0.00014778);(99.763459,0.00008095);(99.981835,0.00068637);(99.989463,0.01857401);(100.018881,0.0005853);(100.478151,0.00137127);(100.485811,0.03292517);(100.489754,0.00272167);(100.504338,0.00000762);(100.981522,0.01073384);(101.979171,0.00030513);(102.01641,0.00036262);(102.952334,0.00091258);(103.923912,0.00136727);(104.021597,0.00002124);(104.519227,0.00004055);(105.991838,0.00038254);(106.495967,0.02758698);(106.999837,0.1649994);(107.027163,0.00000925);(107.085221,0.00000794);(107.493643,0.00089048);(107.501888,0.00534078);(107.989623,0.01012639);(107.9977,0.00710877);(108.001855,0.00066174);(108.081077,0.00003029);(108.180936,0.00008516);(108.184713,0.00004758);(108.493205,0.59189968);(108.802433,0.00004614);(108.806972,0.00006892);(108.99501,0.01579298);(109.051746,0.0000778);(109.491104,0.0257779);(109.495218,0.00353484);(109.986701,0.00254206);(110.059777,0.00384883);(110.491845,0.00000908);(110.996061,0.00420757);(111.044073,0.00011584);(111.055005,0.00015804);(111.062855,0.00005106);(111.498079,0.00001094);(111.993574,0.00005937);(114.007707,0.00550576);(114.024198,0.00031912);(114.091478,0.00006088);(114.509382,0.00009938);(114.997546,0.00016547);(115.005681,0.00009794);(115.501148,0.01831992);(116.005036,0.04794814);(116.498876,0.00070622);(116.506898,0.0017313);(117.002793,0.00208981);(117.007447,0.00018362);(117.498591,0.00195961);(118.507703,0.00054786);(118.947579,0.00164861);(119.918464,0.00018708);(119.955041,0.00022057);(120.001117,0.00157547);(120.511594,0.00001945);(120.962983,0.00020709);(121.052004,0.00003092);(122.509207,0.00021678);(123.012581,0.00123282);(126.510925,0.00000781);(127.512985,0.00003734);(132.101887,0.00028398);(134.017171,0.00002638);(134.060168,0.00000871);(134.97865,0.00360629);(135.090878,0.00000646);(136.957855,0.00093411);(137.083495,0.00001866);(137.92789,0.0001898);(138.93545,0.00005127);(139.050449,0.00000586);(139.923391,0.00001426);(143.939076,0.00008707);(144.940367,0.00002458);(145.938121,0.00030285);(150.112176,0.00006195);(152.07043,0.00000638);(152.106733,0.00012785);(152.989155,0.00099328);(153.04033,0.00000721);(153.102195,0.00002863);(153.138998,0.00000635);(153.959117,0.0002143);(154.04302,0.00000606);(154.95673,0.0000171);(154.967985,0.00011314);(156.94617,0.00002714)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.654464,0.00019277);(50.915988,0.00014463);(51.353631,0.00015075);(51.593578,0.00015421);(51.806291,0.00007995);(51.929023,0.00015094);(51.997588,0.00010637);(52.015936,0.00014272);(52.168363,0.00010157);(52.387423,0.00020617);(52.544106,0.00004778);(53.670737,0.00007138);(54.154517,0.00011851);(54.526602,0.00010451);(55.08736,0.00008601);(55.34216,0.0002072);(55.766137,0.00015014);(56.212358,0.00010065);(56.273715,0.00016734);(56.645416,0.00006599);(56.725774,0.0001504);(57.208385,0.00014573);(57.245194,0.00010699);(57.255963,0.00009817);(57.744529,0.00007351);(59.044929,0.00016684);(60.044827,0.00010818);(60.441678,0.00006303);(60.69996,0.00011607);(61.293369,0.00010626);(61.932373,0.00006199);(62.414807,0.00011462);(62.418281,0.00017188);(62.720905,0.00004363);(63.220987,0.00017014);(65.324085,0.00012637);(65.435908,0.00007675);(65.953767,0.0001539);(66.157539,0.00007672);(66.794211,0.00007398);(67.640355,0.00013158);(68.152672,0.00014377);(68.154401,0.00012015);(68.995959,0.0002883);(68.998237,0.00025171);(69.645744,0.0000431);(70.30222,0.00004951);(70.595011,0.00011759);(70.941749,0.00020148);(71.308607,0.00008154);(71.401591,0.00010373);(72.16473,0.00005388);(72.524186,0.00006704);(72.63946,0.0001076);(73.341876,0.00007504);(73.400201,0.00011003);(73.656357,0.00017875);(73.739016,0.00008617);(74.536715,0.00010561);(74.65147,0.00011358);(74.802349,0.00006716);(75.585909,0.00008385);(76.232481,0.00009164);(76.365918,0.00009974);(76.585632,0.0000772);(76.756358,0.00019394);(77.051886,0.00012912);(77.093051,0.0001355);(77.13879,0.00010363);(77.83705,0.00010211);(77.94196,0.00012715);(78.218752,0.00012772);(79.955951,0.00072001);(80.301848,0.00005622);(80.377412,0.00015529);(80.588914,0.00021726);(80.621656,0.00010403);(81.062378,0.00011349);(81.274266,0.00013164);(82.455688,0.00009188);(82.461008,0.00010753);(82.687792,0.00022855);(83.212468,0.00005111);(83.33448,0.00014339);(83.593895,0.00027075);(84.356005,0.00017541);(84.727712,0.00009689);(85.805677,0.00006771);(88.568854,0.0001326);(88.651698,0.0001539);(89.909236,0.00011993);(90.540253,0.0001119);(91.00499,0.00020878);(91.178105,0.00004592);(91.671812,0.00011699);(92.11599,0.00012194);(92.329864,0.00013407);(92.900241,0.00014083);(95.578194,0.00015289);(95.630894,0.00019034);(97.799896,0.00012291);(98.064531,0.00013813);(98.566742,0.00015556);(100.144563,0.00017478);(101.093492,0.00011635);(102.89392,0.000152);(103.162368,0.00006271);(104.679353,0.00013612);(106.107667,0.00005385);(106.96168,0.00012743);(107.036221,0.00295882);(108.023119,0.00276686);(108.024886,0.0033237);(108.044177,1.0);(108.064996,0.00498931);(109.041179,0.00330011);(109.047479,0.08334407);(109.142774,0.00021653);(110.233136,0.00013571);(110.556964,0.00011791);(110.646836,0.00008127);(110.779359,0.00014837);(110.832682,0.00012768);(111.704189,0.00011074);(113.003286,0.000121);(116.989317,0.00009155);(117.949144,0.00012971);(118.209771,0.00019949);(120.691214,0.00018714);(124.492628,0.00012681);(124.844461,0.00015819);(125.098778,0.00018262);(125.252964,0.00014423);(132.017144,0.00014252);(132.044172,0.00365372);(132.125142,0.00008036);(132.52954,0.00021283);(132.871942,0.00013778);(133.53365,0.00012439);(142.475424,0.00006621);(146.651848,0.00029222);(146.696595,0.00018571);(146.702542,0.00004957);(148.863826,0.0002128);(150.055001,0.01116425);(151.058361,0.00030688);(153.37618,0.00010355)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.288354,0.0002301);(51.050457,0.00013186);(51.523223,0.00017423);(51.619434,0.00009328);(52.163691,0.000276);(52.307624,0.00005105);(53.42414,0.00011382);(53.678511,0.00021888);(53.841853,0.00020709);(54.362746,0.00012525);(54.468455,0.00015961);(54.966156,0.00010755);(55.927961,0.00024039);(56.712834,0.00021621);(57.659306,0.00015878);(58.196743,0.00013218);(58.39904,0.000107);(58.565476,0.00004384);(59.158097,0.00008126);(59.317102,0.00010426);(59.915856,0.00007785);(60.967533,0.00017288);(61.068098,0.00004565);(61.50061,0.00014138);(61.588071,0.0000871);(61.622779,0.00012675);(61.647126,0.00019317);(62.153018,0.00006909);(62.243556,0.00023663);(62.334622,0.00012731);(63.049222,0.00013395);(63.246167,0.00005383);(63.359311,0.00020476);(65.195774,0.00006881);(65.343922,0.00023962);(66.290905,0.0002209);(66.344791,0.00007333);(66.661635,0.00217434);(66.672961,0.00016193);(66.749126,0.00014891);(66.81729,0.00005649);(67.098267,0.00012023);(67.250738,0.00010657);(67.426933,0.00012618);(67.535914,0.00018188);(67.565575,0.00005627);(67.994146,0.00015162);(68.340736,0.00018567);(68.359205,0.00011318);(68.419877,0.00018413);(68.586089,0.00016854);(68.647482,0.00011942);(69.084383,0.00017364);(69.191688,0.00011625);(70.046218,0.00005054);(70.077726,0.00025058);(70.362695,0.00007998);(70.726611,0.00019769);(70.778535,0.00015198);(71.012262,0.00013605);(73.89657,0.00023293);(74.218251,0.00009581);(75.04251,0.0001374);(75.717235,0.00010685);(76.960251,0.0000906);(76.98083,0.00013184);(79.290148,0.00010571);(79.523806,0.00018988);(79.54106,0.00005192);(79.95598,0.00123429);(80.044519,0.00010108);(80.218254,0.00011058);(80.755519,0.00009746);(81.018327,0.00007895);(81.033167,0.00064028);(82.116749,0.00014039);(82.295292,0.00010657);(82.377801,0.00007799);(83.207343,0.00017401);(83.639768,0.00011375);(83.672335,0.00020658);(84.110261,0.00004823);(84.140052,0.00006753);(84.561405,0.00006468);(85.407334,0.00023115);(85.560441,0.00019179);(87.88329,0.00011733);(87.91909,0.00010579);(89.798884,0.00006096);(90.538362,0.0001688);(90.904608,0.00021298);(91.017545,0.00033813);(92.011985,0.00019068);(92.630703,0.00022873);(93.168013,0.00012597);(94.550096,0.00013843);(94.645606,0.00019435);(95.318428,0.00013976);(96.763571,0.00006855);(97.349772,0.00012184);(99.210907,0.00008377);(100.162508,0.00007065);(102.36322,0.00004925);(104.63675,0.00008902);(104.844039,0.00015337);(107.036346,0.03874582);(107.953268,0.0001348);(108.023881,0.00475422);(108.037346,0.00004864);(108.044179,1.0);(108.064888,0.00284681);(108.89762,0.00008538);(109.041175,0.00204109);(109.04749,0.08224485);(110.113226,0.0002346);(111.494638,0.00015848);(118.199346,0.00016975);(119.311049,0.00007);(120.533618,0.00015884);(120.886517,0.00011884);(122.781168,0.00009203);(123.728675,0.00005876);(125.77989,0.00006358);(127.111137,0.00007899);(128.293094,0.00009702);(128.934923,0.00015509);(129.554927,0.00024858);(129.605695,0.00012149);(132.044258,0.00249862);(134.023734,0.00022044);(134.57861,0.00017639);(135.524008,0.00010365);(136.700022,0.00012337);(137.003006,0.00013129);(137.406298,0.00008907);(141.59281,0.00008059);(143.542612,0.00026831);(144.174073,0.00014617);(146.101252,0.00010735);(146.609613,0.00017966);(147.339587,0.00024305);(147.922495,0.0002961);(149.680093,0.00011104);(152.230363,0.0002304);(153.217631,0.00008207);(153.515721,0.0001276);(154.130407,0.0000694);(154.8387,0.00005796);(154.881168,0.00005249);(154.965268,0.00014228)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(17.03912516,0.2968039404);(27.0234751,0.0702360289);(42.03437413,0.0547751173);(43.01838972,0.4245576605);(45.03403978,0.3931030331);(51.0234751,0.0448251406);(53.03912516,0.0447926204);(54.03437413,0.032082633);(56.01363868,0.0348567993);(57.03403978,0.1122182242);(60.04493881,0.3732094659);(66.03437413,0.0391453536);(79.01838972,0.0229830688);(80.05002419,0.0338818608);(81.03403978,0.0228599296);(82.02928875,0.0227010847);(84.04493881,0.043057066);(93.03403978,1.101585764);(96.04493881,0.0562892625);(98.02420337,0.0698249532);(98.06058888,0.0764038636);(100.0398534,0.0742071377);(108.0449388,29.78902118);(110.0605889,6.866898484);(120.0449388,0.0457436213);(122.0605889,0.0905264254);(124.0398534,0.0537494958);(126.0555035,0.0756464856);(134.0605889,4.846402079);(136.0398534,0.6816345134);(152.0711536,54.10597771)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(27.0234751,0.2758182051);(42.03437413,0.3821477809);(43.01838972,1.791899488);(45.03403978,0.207983868);(51.0234751,0.5638033218);(52.01872406,0.1019284988);(53.03912516,0.3197480142);(54.03437413,0.1084229902);(55.05477522,0.211532101);(60.04493881,0.639619826);(66.03437413,0.869577883);(67.01838972,0.2382819876);(76.01872406,0.3299164662);(78.03437413,2.0382753);(79.01838972,0.2854366859);(80.05002419,0.7815940082);(81.03403978,1.829527779);(82.02928875,0.1911364879);(83.04968984,0.2577487546);(84.04493881,0.219240747);(86.06058888,0.1095848858);(93.03403978,4.098461727);(104.0500242,0.1258493025);(108.0449388,43.26093339);(110.0605889,13.49169777);(120.0449388,0.3051133493);(122.0605889,0.4848825692);(126.0555035,0.1285409514);(134.0605889,8.551787624);(136.0398534,0.967391822);(152.0711536,16.83211642)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,1.828475367);(42.03437413,4.473402168);(43.01838972,1.545577364);(44.01363868,0.4675002117);(45.03403978,0.8606595356);(51.0234751,6.365289415);(52.01872406,0.9362650793);(53.03912516,4.857451519);(54.03437413,3.143465663);(55.01838972,0.3990904746);(56.01363868,1.469381494);(57.03403978,1.562473829);(58.02928875,0.3756654921);(60.04493881,1.087202423);(66.03437413,7.595133934);(67.01838972,1.672816713);(76.01872406,1.801301656);(78.03437413,4.519094517);(79.01838972,1.30842299);(80.05002419,2.218454186);(81.03403978,0.9634717666);(82.02928875,1.902676415);(83.04968984,0.4389763151);(92.05002419,0.4079904425);(93.03403978,11.41762709);(108.0449388,31.05775221);(110.0605889,2.053909251);(120.0449388,0.5825020012);(134.0605889,1.601424685);(136.0398534,0.7435128009);(152.0711536,0.3430329866)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.0884064108);(17.00273965,0.3951401649);(25.00782503,0.0615275431);(40.01872406,0.5340590309);(41.00273965,0.1774677961);(41.99798862,0.2069571928);(43.01838972,4.303019525);(51.0234751,0.0213903063);(52.01872406,0.0164027756);(53.99798862,0.0123503343);(58.02928875,2.152732172);(67.01838972,0.0228781795);(70.02928875,0.1080497975);(76.01872406,0.0112489774);(78.03437413,0.0947614579);(79.01838972,0.0433810405);(82.02928875,0.3463514536);(84.04493881,0.0779462517);(91.01838972,0.1300093095);(92.01363868,0.0111343255);(94.02928875,0.0405981717);(96.04493881,0.063214255);(98.02420337,0.1188849749);(106.0292887,1.45731312);(108.0449388,14.33311886);(118.0292887,0.0561981716);(120.0449388,0.2031131906);(124.0398534,0.1094788864);(132.0449388,8.109559082);(134.0242034,0.6647979136);(150.0555035,66.02850933)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,0.1686718928);(17.00273965,0.1059397876);(25.00782503,0.3424278307);(40.01872406,1.540340348);(41.00273965,4.021025045);(41.99798862,0.5466873912);(43.01838972,4.405144687);(52.01872406,0.3916220894);(53.99798862,0.1047077115);(58.02928875,5.37487782);(64.01872406,0.4015054613);(66.03437413,0.3167962129);(67.01838972,0.0860236513);(70.02928875,0.3945575906);(78.03437413,0.4434027992);(80.01363868,0.2447714731);(82.02928875,0.610252979);(84.04493881,0.163269068);(91.01838972,1.220175729);(92.01363868,0.1784703448);(94.02928875,0.2080525527);(96.04493881,0.4204888067);(106.0292887,6.49863288);(108.0449388,39.94016308);(118.0292887,0.2248788462);(120.0449388,0.1149393979);(122.0242034,0.1221860293);(124.0398534,0.3969733463);(132.0449388,6.286194196);(134.0242034,1.187895471);(150.0555035,23.53892549)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(15.0234751,0.2269852405);(25.00782503,0.6929133942);(39.0234751,0.222681008);(40.01872406,5.145934343);(41.00273965,2.440548846);(41.99798862,25.73346707);(43.01838972,4.286690737);(49.00782503,0.8018685551);(51.0234751,2.856704408);(53.03912516,0.3787302175);(53.99798862,1.004006122);(58.02928875,15.60702741);(64.01872406,0.190027975);(65.00273965,0.3834420296);(67.01838972,0.8589796533);(74.003074,0.3419858062);(76.01872406,1.749317215);(78.03437413,3.418860129);(79.01838972,0.8316175228);(80.01363868,1.328923411);(81.03403978,1.099764737);(82.02928875,0.3812321742);(91.01838972,5.914647642);(98.02420337,0.2629470538);(106.0292887,8.095120982);(108.0449388,12.86269001);(118.0292887,0.3644365961);(120.0449388,0.3193894738);(132.0449388,0.9675098553);(134.0242034,0.779149094);(150.0555035,0.4524012833)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(108.04549,44.13);(108.04549,44.13);(108.04549,44.13);(108.04549,44.13);(108.04549,44.13);(108.04549,44.13);(108.04549,44.13);(108.04549,44.13);(150.05605,100.0);(150.05605,100.0);(150.05605,100.0);(150.05605,100.0);(150.05605,100.0);(150.05605,100.0);(150.05605,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(132.04549,6.2);(132.04549,6.2);(132.04549,6.2);(132.04549,6.2);(132.04549,6.2);(132.04549,6.2)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,22.0);(51.02402,5.99);(53.03967,5.98);(58.02984,6.71);(64.01927,8.95);(64.01927,8.95);(65.00329,5.95);(66.03492,8.66);(66.03492,8.66);(67.01894,7.47);(76.01927,8.37);(76.01927,8.37);(78.03492,13.41);(78.03492,13.41);(80.05057,13.45);(82.02984,5.09);(82.02984,5.09);(82.02984,5.09);(82.02984,5.09);(106.02984,9.64);(106.02984,9.64);(106.02984,9.64);(106.02984,9.64);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(108.04549,100.0);(120.04549,7.53);(130.02984,5.15);(132.04549,8.22);(132.04549,8.22);(132.04549,8.22);(132.04549,8.22);(132.04549,8.22);(132.04549,8.22);(134.02475,10.61);(134.02475,10.61);(134.02475,10.61);(134.02475,10.61);(134.02475,10.61);(148.0404,6.38);(148.0404,6.38);(148.0404,6.38);(148.0404,6.38)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(152.0706,15.28);(152.0706,15.28);(152.0706,15.28);(152.0706,15.28);(152.0706,15.28);(152.0706,15.28);(152.0706,15.28)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(80.04948,9.76);(80.04948,9.76);(82.06513,12.41);(82.06513,12.41);(83.04914,10.09);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(108.04439,32.65);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0);(110.06004,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(39.02293,39.86);(41.03858,18.39);(43.01784,45.46);(51.02293,70.41);(53.03858,52.65);(54.03383,10.75);(54.03383,10.75);(56.04948,13.42);(56.04948,13.42);(58.02874,13.36);(58.02874,13.36);(63.02293,80.55);(65.03858,53.32);(70.02874,17.94);(70.02874,17.94);(70.02874,17.94);(78.03383,16.82);(78.03383,16.82);(80.04948,100.0);(80.04948,100.0);(82.06513,19.84);(82.06513,19.84);(84.04439,14.17);(84.04439,14.17);(84.04439,14.17);(84.04439,14.17);(84.04439,14.17);(106.06513,17.81);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(108.04439,41.59);(110.06004,22.48);(110.06004,22.48);(110.06004,22.48);(110.06004,22.48);(110.06004,22.48);(110.06004,22.48);(110.06004,22.48);(110.06004,22.48)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for N-(2-Hydroxyphenyl)acetamide