PhytoHub: Showing entry for Synephrine

Synephrine

Identification

PhytoHub ID

PHUB002331

Name

Synephrine

Systematic Name

Not Available

Synonyms

Analeptin
Oxedrine
p-Synephrine
Parasympatol
Sympaethamine
Synefrine

CAS Number

94-07-5

Average Mass

167.208

Monoisotopic Mass

167.094628663

Chemical Formula

C₉H₁₃NO₂

IUPAC Name

4-[1-hydroxy-2-(methylamino)ethyl]phenol

InChI Key

YRCWQPVGYLYSOX-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3

SMILES

CNCC(O)C1=CC=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.86e+01 g/l
LogS (ALOGPS): -0.95
LogP (ALOGPS): -0.62
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 3
Polar Surface Area: 52.489999999999995
Refractivity: 47.249399999999994
Polarizability: 17.970003658738115
Formal Charge: 0
Physiological Charge: 1
pKa (strongest basic): 9.14815345799689
pKa (strongest acidic): 9.755471273972516
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 7172
ChEBI: 29081

Taxonomy as Food Phytochemical

Family: N-containing compounds
Class: Alkaloids
Sub-class: Miscellaneous alkaloids

Taxonomy as Metabolite

Metabolite Family: N-containing compound metabolites
Metabolite Class: Alkaloid metabolites
Metabolite Sub-class: Miscellaneous alkaloid metabolites

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(91.055,0.047);(109.065,0.01);(119.049,0.066);(121.065,0.026);(135.068,0.056);(150.091,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(56.048,0.014);(57.056,0.042);(65.039,0.03);(77.039,0.069);(79.053,0.01);(81.066,0.013);(91.053,0.532);(92.049,0.021);(93.068,0.025);(94.04,0.018);(103.057,0.041);(106.066,0.029);(107.047,0.585);(107.065,0.021);(108.056,0.058);(109.062,0.085);(116.051,0.022);(117.057,0.113);(118.04,0.024);(118.065,0.073);(119.047,0.196);(120.046,0.071);(121.066,0.147);(132.079,0.089);(133.088,0.03);(134.058,0.302);(135.067,1.0);(149.081,0.01);(150.09,0.724)
LC-MS/MS	LC-ESI-Q	Positive	low	View Spectrum	(50.1,0.027);(82.2,0.015);(86.2,0.015);(102.8,0.023);(119.3,0.01);(136.3,0.032);(150.3,1.0);(151.2,0.273);(168.3,0.347)
LC-MS/MS	LC-ESI-Q	Positive	medium	View Spectrum	(86.2,0.045);(89.0,0.153);(91.1,0.097);(107.0,0.018);(109.1,0.055);(119.1,0.125);(121.3,0.048);(131.9,0.017);(133.2,0.019);(135.1,0.099);(135.8,0.025);(150.2,1.0);(151.2,0.115)
LC-MS/MS	LC-ESI-Q	Positive	medium	View Spectrum	(57.2,0.019);(68.9,0.026);(77.1,0.028);(78.8,0.01);(80.9,0.051);(82.1,0.026);(83.1,0.01);(86.4,0.06);(87.1,0.014);(89.0,0.051);(90.9,1.0);(93.1,0.048);(94.3,0.021);(94.9,0.016);(102.8,0.053);(104.9,0.027);(106.1,0.027);(106.9,0.427);(108.2,0.083);(109.3,0.236);(117.0,0.085);(118.1,0.07);(119.3,0.201);(120.4,0.042);(121.2,0.11);(123.1,0.04);(131.0,0.011);(131.9,0.023);(133.1,0.021);(134.0,0.091);(135.0,0.726);(136.0,0.053);(142.8,0.011);(150.0,0.303);(151.3,0.049);(159.0,0.02)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(57.2,0.021);(65.1,0.034);(69.4,0.015);(77.1,0.226);(79.1,0.096);(80.2,0.026);(81.0,0.047);(81.4,0.028);(86.2,0.031);(90.4,0.024);(91.2,0.878);(92.9,0.036);(93.8,0.065);(95.3,0.013);(103.0,0.094);(105.1,0.013);(106.1,0.081);(107.0,1.0);(108.1,0.18);(109.1,0.076);(116.1,0.016);(117.1,0.047);(118.2,0.135);(119.0,0.037);(120.0,0.109);(120.9,0.018);(123.2,0.01);(129.9,0.031);(131.3,0.028);(133.0,0.028);(134.2,0.237);(135.1,0.28);(136.1,0.033);(150.3,0.039);(159.2,0.016)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(56.2,0.044);(57.1,0.044);(64.9,0.187);(66.9,0.033);(77.1,0.714);(78.0,0.015);(79.1,0.223);(80.1,0.048);(89.0,0.073);(90.1,0.051);(91.0,0.407);(91.8,0.059);(92.4,0.033);(94.1,0.048);(103.4,0.04);(107.2,1.0);(107.9,0.147);(109.3,0.048);(116.3,0.048);(117.2,0.037);(117.9,0.077);(119.3,0.018);(120.4,0.059);(130.3,0.055);(132.7,0.015);(134.0,0.139);(135.1,0.04)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(52.068714,0.00030839);(52.53349,0.00024327);(54.036785,0.00034102);(54.490605,0.0002491);(54.702179,0.00026742);(55.109519,0.00030484);(55.918656,0.00025523);(56.379398,0.00020327);(57.033247,0.00221643);(57.295981,0.00031547);(57.678056,0.00021429);(59.012501,0.01178484);(59.595461,0.00032078);(60.006849,0.0002514);(60.162187,0.00012438);(60.163627,0.00019717);(61.922367,0.00030549);(61.98702,0.19084857);(63.308373,0.00029346);(63.479665,0.00019382);(63.961146,0.00455893);(63.991316,0.00037604);(66.35844,0.00021118);(70.187959,0.0001339);(71.012596,0.00104108);(71.048713,0.00015181);(71.140579,0.00014278);(71.194088,0.00015766);(72.99177,0.00049652);(73.010226,0.00014292);(73.028189,0.00022583);(74.989447,0.02023875);(74.991661,0.00046579);(75.989082,0.00024544);(76.986377,0.00014577);(78.984611,0.01484033);(79.95603,0.0025985);(80.720314,0.00025034);(81.033366,0.00017701);(82.685941,0.0002845);(83.048886,0.00078071);(84.427076,0.00024952);(84.672455,0.00023777);(84.849314,0.00032142);(85.028097,0.00056588);(85.997095,0.00025331);(86.015157,0.00025407);(87.007423,0.00255594);(87.582824,0.00013053);(89.023116,0.02505766);(89.557872,0.00029273);(89.924334,0.00065637);(90.932339,0.00060132);(91.020766,0.00845917);(92.049267,0.00956116);(93.000071,0.00872785);(93.033292,0.15602236);(94.036657,0.01040968);(94.979518,0.00585515);(95.01267,0.00017832);(95.048963,0.00265004);(96.958805,0.00259018);(97.028025,0.00015501);(97.064599,0.00215453);(99.924468,0.00816946);(100.92462,0.00053026);(100.932265,0.00249947);(101.041878,0.00022307);(101.059659,0.00019158);(101.881438,0.00023434);(106.041195,0.19551684);(107.044498,0.01506314);(107.048993,0.01512389);(108.020394,0.02979102);(108.05234,0.00057109);(108.227726,0.00032328);(108.770001,0.00024781);(109.023916,0.0009565);(111.08023,0.00125386);(112.485434,0.00024398);(113.441147,0.00028075);(113.925203,0.00021008);(114.932791,0.00029201);(114.948177,0.00195299);(115.919513,0.02084077);(116.070608,0.00025252);(116.919984,0.00204438);(116.927373,0.01638465);(117.917795,0.0002575);(117.92744,0.00113837);(118.028674,0.00089863);(119.049029,0.00820782);(120.179966,0.00030076);(121.028371,0.02892672);(121.064807,0.00022019);(122.031497,0.00112496);(123.043982,0.01979499);(123.360213,0.00028467);(124.047362,0.00056562);(125.09606,0.01333174);(126.099384,0.00025441);(127.07524,0.00151348);(127.111728,0.05773444);(128.115002,0.0040622);(129.799448,0.00032905);(130.943221,0.00017846);(131.036456,0.00257852);(133.052201,0.15892238);(134.055459,0.01360785);(134.060379,0.0012382);(135.04407,0.00581153);(135.080439,0.00082374);(136.015468,0.05669061);(137.018789,0.0043111);(138.031066,0.00441691);(139.075588,0.00015777);(141.842235,0.00031512);(142.92387,0.00138691);(142.943053,0.00131826);(143.106496,0.0019817);(143.867562,0.00026603);(144.044492,0.00640167);(145.05255,0.00198254);(145.1217,0.00049286);(146.023529,0.00448891);(146.060111,0.03122576);(147.044153,0.00035629);(147.068321,0.00887789);(147.151863,0.00031507);(148.075731,1.0);(148.238328,0.00026799);(149.008545,0.39003512);(149.073244,0.0040927);(149.079064,0.09912141);(150.00107,0.00239659);(150.007249,0.03360139);(150.082032,0.00507834);(150.987915,0.00942942);(151.00539,0.02685884);(151.012114,0.0030173);(151.03904,0.00646692);(152.01042,0.00152933);(152.967076,0.00212295);(154.946363,0.00157995);(156.011501,0.01484818);(157.015122,0.00025232);(157.085932,0.00066867);(157.122477,0.01573324);(158.125768,0.00021059);(158.777917,0.00014442);(158.938068,0.00018276);(159.892214,0.00024309);(160.039527,0.0046019);(160.934673,0.00034425);(161.04709,0.00263794);(161.912822,0.00141836);(162.055172,0.01816572);(163.038763,0.0002252);(163.058429,0.00093507);(163.886739,0.00188097);(164.070812,0.01723775);(165.039933,0.06619224);(165.073986,0.00102138);(166.038642,0.0048996);(166.08634,0.0025207);(166.601726,0.000302);(167.019101,0.00068317);(167.036714,0.00495875);(167.353706,0.00014272);(169.085843,0.00015244)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.720021,0.00004809);(50.828232,0.00005114);(51.938167,0.00006611);(52.749232,0.00004881);(53.039387,0.0003917);(54.320842,0.00005211);(55.018506,0.00006167);(56.050256,0.0025519);(56.521213,0.00005372);(56.916833,0.00006028);(57.058044,0.00824525);(57.069831,0.00004713);(59.121064,0.00005179);(59.805623,0.00004939);(59.946231,0.00005302);(60.639019,0.00006426);(61.011375,0.00042411);(61.338471,0.00005824);(62.019158,0.0019909);(62.524783,0.00005199);(63.023915,0.00005611);(63.998462,0.00044793);(65.039426,0.00071386);(65.631702,0.00005406);(66.831692,0.00005327);(67.132229,0.00005279);(67.377462,0.00004818);(68.050158,0.00012435);(69.309464,0.00007248);(69.628058,0.0000513);(72.435038,0.00006013);(72.697368,0.00005822);(73.944132,0.00005824);(77.039388,0.00033772);(77.505463,0.00005193);(78.013887,0.00006429);(78.22268,0.0000555);(78.26084,0.000067);(79.02181,0.0296008);(79.054806,0.0007738);(79.445402,0.00006259);(80.021129,0.00014342);(80.025251,0.00030193);(80.050117,0.00050246);(80.99004,0.00006418);(81.017572,0.00161359);(81.070432,0.00273574);(81.705406,0.00005933);(82.073775,0.00007046);(83.049773,0.00048598);(88.081623,0.0000563);(89.039125,0.00010248);(89.444887,0.00005637);(89.875077,0.000065);(91.054696,0.14144187);(92.058058,0.01082605);(92.973792,0.00004716);(93.070345,0.00566883);(94.041735,0.00012768);(94.065585,0.00020799);(94.073658,0.00006292);(95.049669,0.00124787);(97.275335,0.00005254);(98.113747,0.00005284);(98.74288,0.0000564);(101.003568,0.00740382);(102.99963,0.00013614);(103.054628,0.00163112);(104.866899,0.00005382);(105.070191,0.00417387);(106.065432,0.00036204);(106.073585,0.00005767);(107.045411,0.00011961);(107.049451,0.01531198);(107.073324,0.00052616);(107.579382,0.00005916);(108.053011,0.00096567);(108.057289,0.00119608);(108.081059,0.00228069);(109.065081,0.03685887);(109.069417,0.00054201);(110.068487,0.00270451);(114.986298,0.00073307);(115.054454,0.00014595);(116.005554,0.00072293);(116.480154,0.00031436);(117.052854,0.00010083);(117.057541,0.0116445);(118.01239,0.00005763);(118.041514,0.00045677);(118.060851,0.00072);(118.065407,0.00136394);(119.049341,0.14135952);(120.044827,0.00054616);(120.052674,0.01238004);(120.08081,0.00012684);(121.064961,0.06479173);(122.068324,0.00545986);(122.096631,0.00312868);(123.492938,0.00008144);(123.991605,0.00185667);(125.748138,0.00006248);(130.065492,0.00031887);(132.080847,0.01983744);(133.064741,0.00224086);(133.08408,0.00173468);(133.088847,0.00059581);(134.059911,0.00260511);(134.91996,0.00048793);(135.067896,0.1587996);(136.065409,0.00056187);(136.071192,0.01386941);(139.199976,0.00007319);(140.165064,0.0000636);(144.988076,0.00005739);(145.430853,0.00006187);(148.075761,0.00130757);(149.083679,0.00178562);(150.080257,0.00443883);(150.091279,1.0);(150.125064,0.00007792);(150.951302,0.00050803);(151.083226,0.00006458);(151.088648,0.00409233);(151.094516,0.09998247);(152.097772,0.0046428);(162.687633,0.00005717);(166.354157,0.00005999);(167.124032,0.00006119);(168.961896,0.00087861)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.738943,0.00073817);(53.794214,0.00073954);(54.894241,0.00072815);(56.147792,0.00065316);(57.033221,0.00606971);(57.632691,0.00067092);(59.01248,0.02072127);(59.965993,0.00090168);(61.977518,0.00068731);(61.987026,0.39111516);(62.832503,0.00079213);(63.961059,0.0200386);(63.991461,0.00089854);(71.012529,0.0016723);(73.930236,0.00069211);(74.989445,0.08076081);(75.653288,0.00066275);(75.989064,0.00091566);(77.673055,0.00065574);(78.9722,0.00073375);(78.984615,0.03821725);(79.955964,0.00686004);(80.696268,0.0007034);(80.980536,0.00094363);(83.048747,0.00100992);(85.02836,0.00074529);(87.007388,0.00333553);(87.464218,0.00078737);(89.023115,0.04747717);(90.639456,0.00073174);(91.020786,0.03887865);(92.025437,0.00112201);(92.049275,0.024343);(92.052038,0.00079136);(93.00006,0.03207351);(93.017685,0.00094228);(93.033276,0.35323162);(94.036695,0.02090786);(94.039716,0.00089209);(94.97951,0.00954558);(95.012507,0.00176586);(95.048885,0.00787461);(96.958813,0.00688602);(97.064532,0.00351635);(98.880005,0.00066807);(99.079805,0.00070265);(99.924465,0.02261096);(100.924772,0.00072878);(100.932261,0.00329595);(101.023096,0.00072821);(103.070876,0.00069152);(105.033156,0.00087276);(106.041191,0.47344344);(107.044476,0.03499102);(107.048969,0.04112346);(108.020426,0.08970594);(108.052563,0.00078916);(109.023915,0.00382338);(111.080231,0.00092266);(114.948099,0.00177766);(115.019616,0.00097776);(115.919581,0.04205459);(116.919859,0.00261341);(116.927332,0.03638879);(117.927277,0.0009927);(118.028509,0.00542722);(119.049014,0.01288379);(121.028357,0.07284798);(122.031678,0.00120851);(123.044014,0.05281216);(124.047648,0.00089951);(125.096016,0.02489687);(127.111717,0.16985551);(127.116954,0.00150205);(128.115036,0.01438127);(131.03643,0.01091194);(132.044553,0.00191562);(133.052168,0.36376669);(133.082504,0.00087049);(134.05541,0.02931476);(135.04408,0.01259961);(135.080175,0.00082885);(136.015433,0.11037621);(136.169504,0.00074166);(137.018758,0.00405039);(137.39908,0.00071331);(138.031086,0.00718703);(142.923723,0.00105884);(143.867488,0.00087102);(144.044481,0.01650417);(145.052284,0.00593857);(145.314531,0.00093724);(146.023734,0.01048658);(146.060078,0.07063293);(147.068176,0.02414741);(148.040332,0.00124876);(148.075707,1.0);(148.660483,0.00082855);(149.008529,0.79420575);(149.023028,0.00754939);(149.072605,0.00305023);(149.07905,0.10078387);(150.001038,0.0061908);(150.007277,0.06887327);(150.081845,0.00088126);(150.987766,0.01937156);(151.005396,0.05123497);(151.012075,0.00561955);(151.038815,0.00125261);(152.010352,0.00216728);(152.268326,0.00074012);(152.967167,0.00477199);(156.011622,0.01690572);(157.122336,0.00728823);(161.0473,0.00395201);(162.05507,0.01468991);(164.070849,0.02266057);(165.039929,0.03222349);(167.019275,0.00105183);(167.035593,0.00091937)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.046958,0.00124886);(50.571841,0.00131623);(51.040436,0.00126458);(52.682238,0.00129795);(53.5301,0.00142937);(57.033214,0.00596574);(57.774851,0.00129111);(58.6753,0.0012547);(58.821537,0.00142968);(59.012516,0.04004511);(59.469926,0.00133123);(59.965896,0.01870622);(60.809409,0.00121551);(61.987024,0.75458336);(62.984003,0.00112764);(63.961119,0.05926226);(63.991107,0.00149815);(65.026679,0.00121083);(69.361496,0.00120175);(71.14639,0.00131351);(71.198243,0.00120736);(72.991861,0.00470377);(73.010254,0.00222019);(73.553031,0.00145882);(73.986682,0.00125962);(74.170807,0.00114282);(74.929295,0.00130223);(74.989451,0.39754287);(74.992002,0.00376971);(75.746553,0.00124614);(75.926793,0.00139933);(75.960898,0.00510181);(75.989027,0.01407161);(76.968741,0.00576582);(76.986281,0.0066003);(77.03841,0.00535758);(78.972023,0.01454712);(78.984616,0.0231036);(79.956032,0.03517198);(79.979837,0.00862069);(80.728183,0.00132458);(82.310643,0.00124005);(84.372892,0.00131445);(85.162393,0.00144838);(85.710295,0.00135613);(87.007352,0.00174892);(87.285729,0.00154198);(87.77507,0.00115769);(89.023086,0.05026044);(91.017714,0.0093378);(91.020758,0.1292074);(92.020397,0.00134709);(92.025408,0.00345837);(92.049244,0.0437437);(93.000046,0.17116295);(93.033284,0.48214294);(94.036624,0.0269248);(94.979444,0.02717265);(95.01253,0.02967518);(95.048907,0.04694224);(96.958734,0.01327383);(97.064551,0.00163746);(97.343954,0.00139832);(99.924459,0.08040884);(100.92432,0.00166474);(100.932253,0.00548065);(102.811717,0.00145348);(105.033072,0.00209882);(106.041199,0.50996629);(107.044496,0.04123341);(107.048956,0.07730577);(108.020425,0.15202037);(108.051895,0.00137906);(108.204851,0.0015513);(109.023777,0.00589166);(109.155014,0.00141773);(115.919556,0.09604211);(116.919764,0.00561508);(116.927331,0.07621229);(117.927523,0.00259202);(118.02869,0.00819134);(119.048981,0.02971817);(121.028396,0.0846411);(122.031575,0.00295671);(123.04401,0.06786842);(125.095989,0.0265291);(127.111735,0.20813829);(128.114993,0.01552552);(131.0365,0.02757795);(132.044314,0.01751095);(133.052173,0.44208421);(134.055472,0.0325991);(135.044117,0.00967278);(135.0916,0.0013047);(136.015439,0.08075519);(136.972003,0.00441244);(138.030869,0.00345301);(139.033257,0.00119852);(144.044424,0.03489513);(145.052299,0.01369793);(146.023718,0.01211348);(146.06009,0.06180674);(146.398899,0.00129162);(147.068093,0.02962531);(148.03923,0.00191352);(148.069106,0.0030552);(148.075714,0.2838988);(149.008533,1.0);(149.072724,0.00292694);(149.079077,0.02806856);(150.007456,0.07457951);(150.829076,0.0013078);(150.987762,0.04900626);(151.005357,0.07677749);(151.011664,0.00180617);(151.830367,0.00143532);(152.005367,0.00147694);(152.967136,0.03352186);(153.938318,0.00173783);(154.946304,0.00542144);(156.011406,0.00208227);(161.047299,0.00756865)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.588566,0.00017121);(50.627054,0.00019427);(50.873745,0.00017354);(51.02377,0.00021078);(51.201519,0.00018021);(51.354237,0.00017605);(51.716988,0.00016897);(52.438103,0.00017961);(52.44621,0.00019271);(53.039369,0.00188901);(53.05811,0.00017801);(53.709608,0.00016753);(55.018639,0.0007402);(55.957407,0.00015379);(56.028706,0.00016151);(56.05023,0.01155065);(56.965985,0.00015777);(57.058052,0.03849459);(57.591161,0.00017813);(58.061368,0.00044653);(59.409812,0.00017);(61.011375,0.00178144);(62.019197,0.00514415);(63.998446,0.00216712);(64.964422,0.00017663);(65.039343,0.00241856);(65.958943,0.0001537);(66.246004,0.0001597);(67.194942,0.0001742);(67.413133,0.00017873);(67.500316,0.00017366);(67.658985,0.00015214);(69.089005,0.00018665);(69.175028,0.00017429);(69.275022,0.00018497);(69.989959,0.00019452);(70.390029,0.000163);(70.998969,0.00018107);(72.234836,0.00019135);(72.628153,0.00018537);(73.154277,0.00016447);(73.792485,0.0001623);(74.9219,0.00015902);(75.554771,0.00017795);(75.871293,0.00016985);(77.039361,0.00052986);(78.013813,0.0001592);(78.055922,0.00018756);(79.021806,0.05315719);(79.05482,0.00318818);(80.025241,0.00044919);(80.05016,0.00075712);(81.017574,0.00169914);(81.07044,0.01578174);(82.065726,0.00022453);(82.730924,0.00021132);(83.049697,0.00176096);(83.833322,0.00018325);(83.934904,0.00018074);(84.332265,0.00020244);(85.065954,0.00015884);(86.97406,0.00017575);(87.529343,0.00018305);(89.039069,0.00045453);(90.046707,0.00025507);(91.054686,0.52457989);(91.188973,0.00020357);(91.551705,0.00018148);(92.058038,0.03877585);(92.773117,0.0002094);(93.070337,0.02916711);(94.041801,0.00161961);(94.065565,0.00137214);(94.073692,0.00135343);(94.397376,0.00017298);(95.049616,0.00682351);(98.004209,0.00017036);(99.248098,0.00018446);(101.003548,0.0052376);(103.054631,0.01314721);(105.045336,0.00019571);(105.070221,0.01358794);(106.065527,0.0018326);(107.04945,0.09724617);(107.073195,0.00320473);(108.052882,0.00735836);(108.057292,0.00965804);(108.077458,0.00022643);(108.081116,0.0066599);(109.065068,0.1223709);(109.572984,0.00019881);(110.068478,0.00971425);(112.623024,0.00024125);(113.145356,0.0001771);(113.260051,0.0001678);(114.986116,0.00019037);(115.054443,0.00126269);(116.005493,0.00148716);(116.479805,0.00031832);(117.057538,0.0466939);(118.041525,0.00524577);(118.060878,0.0029038);(118.065357,0.01108123);(118.75105,0.00017282);(119.049333,0.27864836);(120.044652,0.00498993);(120.052653,0.02297643);(120.057406,0.000295);(120.080988,0.00037394);(121.064954,0.16598484);(121.201449,0.00019052);(121.950677,0.00017581);(122.068296,0.01432564);(122.096528,0.00835032);(123.493026,0.00017949);(123.991558,0.00166985);(130.065278,0.00236879);(131.072747,0.00023147);(132.080853,0.04475634);(133.051911,0.00016929);(133.064788,0.002879);(133.084124,0.00366844);(133.088698,0.00361849);(134.060042,0.01943533);(134.919953,0.001902);(135.05872,0.00050794);(135.06789,0.5828862);(136.065632,0.00130945);(136.071151,0.05048243);(137.074151,0.00132698);(146.36107,0.00021107);(148.075665,0.00287821);(148.559649,0.00018366);(149.083644,0.00625847);(150.080229,0.00269786);(150.091288,1.0);(150.195635,0.00017349);(150.951016,0.00030583);(151.094543,0.09676336);(152.097568,0.00510804);(167.771767,0.00030234);(169.236682,0.00017472)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(51.023854,0.00066248);(52.767926,0.00029099);(53.039344,0.01782336);(53.804783,0.00031949);(54.8959,0.00028807);(55.018634,0.00461641);(55.657845,0.00024945);(55.828395,0.00028919);(56.050229,0.03733201);(56.900153,0.00029418);(57.05803,0.08771605);(58.029567,0.00028431);(58.061359,0.00176234);(58.43004,0.00029992);(60.282733,0.00029041);(60.523441,0.00030936);(61.011369,0.00629113);(62.019204,0.00885082);(62.100372,0.00023553);(62.990538,0.00064922);(63.998433,0.01447647);(64.57959,0.00028317);(65.039273,0.02202754);(66.047131,0.00160588);(67.042336,0.00070763);(67.054897,0.00039121);(67.288527,0.00028929);(68.050115,0.00102509);(68.468222,0.00025407);(69.034064,0.00033615);(69.764484,0.00029962);(70.676419,0.00027483);(70.884874,0.00029911);(70.958582,0.00066007);(72.937817,0.00133017);(77.039288,0.00534685);(77.192415,0.00030116);(77.195014,0.00061149);(77.93405,0.00033723);(79.02181,0.0647618);(79.054809,0.02986293);(79.057127,0.00074469);(80.025141,0.00051274);(80.047658,0.00027054);(80.050099,0.00668502);(80.05823,0.00043189);(80.06266,0.0047337);(81.017604,0.00213621);(81.034025,0.00058711);(81.070428,0.04610411);(82.065767,0.00094513);(82.073811,0.00198315);(83.04954,0.00147024);(84.044885,0.00032352);(87.369157,0.00026928);(88.484325,0.0002778);(89.038919,0.00091968);(89.520045,0.00037472);(90.046928,0.00589263);(91.049384,0.0010479);(91.054708,0.98932069);(92.050118,0.00055706);(92.058045,0.07686103);(93.057765,0.00034716);(93.061189,0.00073164);(93.07032,0.06238087);(93.860397,0.00031416);(94.041728,0.02365314);(94.065549,0.00358317);(94.073665,0.0046968);(95.046057,0.00036552);(95.049558,0.03996361);(95.988116,0.00024238);(96.053007,0.00146021);(98.827211,0.00028459);(101.831961,0.00030014);(102.200643,0.00025458);(103.054592,0.06905853);(104.057947,0.00561192);(104.062161,0.00070911);(105.045061,0.00903164);(105.070195,0.01705763);(106.065504,0.02089611);(107.049419,0.59688349);(107.073114,0.01444953);(107.134453,0.00027904);(108.052827,0.0450667);(108.057224,0.07823183);(108.076828,0.00071931);(108.081092,0.00607836);(108.493564,0.00030367);(109.061082,0.00689629);(109.065046,0.140311);(110.060272,0.00387428);(110.0684,0.01015446);(110.620575,0.00023513);(111.044482,0.00057575);(113.565718,0.00042969);(115.05445,0.0038759);(117.057465,0.09419996);(118.041472,0.03443419);(118.060908,0.00785086);(118.065292,0.07528363);(119.049315,0.13704053);(119.068643,0.00738251);(120.044576,0.06472828);(120.052463,0.01242325);(120.057146,0.00461838);(120.080932,0.0020003);(121.048007,0.00380323);(121.064913,0.13682994);(122.068286,0.01224575);(122.096556,0.00646559);(123.409191,0.00027688);(126.42001,0.00026157);(130.065128,0.00661216);(131.072977,0.00279559);(131.946293,0.0002557);(132.080769,0.03287155);(132.517224,0.00030384);(132.785342,0.00031979);(133.052132,0.00177176);(133.06466,0.00050388);(133.083988,0.00134385);(133.088707,0.01384554);(134.060054,0.19035665);(134.091738,0.00039893);(134.63723,0.00031503);(134.919826,0.00269965);(135.067842,1.0);(135.619201,0.0002533);(136.065552,0.00294102);(136.071163,0.08831298);(136.076976,0.00067781);(137.07347,0.00090753);(137.965693,0.00026796);(145.625882,0.0003016);(146.059944,0.00178997);(147.068321,0.00036549);(147.694219,0.00031672);(148.075559,0.00486012);(149.083487,0.02012659);(149.902415,0.0003039);(150.091279,0.19744152);(150.950608,0.00031434);(151.094626,0.01844841);(152.930392,0.00030598);(160.867042,0.00027631)

Food Sources

Name	Group
Mandarin orange (Clementine, Tangerine)	Fruit, Citrus	Publications	Show
Orange juice	Beverages, Non-alcoholic	Publications	Show
Sweet orange	Fruit, Citrus	Publications	Show

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

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula
Synephrine	Synephrine sulfate	human	urine	host metabolism	Not Available	Not Available	Not Available	C₉H₁₃NO₅S	Detailed Intervention Studies	Publications
Synephrine	Synephrine glucuronide	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₅H₂₁NO₈	Detailed Intervention Studies
Synephrine	Synephrine hydrogen sulfate	Not Available	Not Available	Not Available	Not Available	Not Available	Not Available	C₉H₁₄NO₅S	Detailed Intervention Studies

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Synephrine