precursor

Showing entry for (+)-Matairesinol

Identification

PhytoHub ID
PHUB001388
Name
(+)-Matairesinol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
358.39
Monoisotopic Mass
358.141638428
Chemical Formula
C20H22O6
IUPAC Name
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
InChI Key
MATGKVZWFZHCLI-LSDHHAIUSA-N
InChI Identifier
InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
SMILES
COC1=C(O)C=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.21e-02 g/l
LogS (ALOGPS)
-4.47
LogP (ALOGPS)
2.79
Hydrogen Acceptors
5
Hydrogen Donors
2
Rotatable Bond Count
6
Polar Surface Area
85.22000000000001
Refractivity
95.63440000000001
Polarizability
37.126811984404824
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.5896887507776425
pKa (strongest acidic)
9.644700805894656
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Lignans
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(122.0363,0.01301301);(131.0491,0.00900901);(137.0598,0.33233233);(145.0648,0.003003);(149.0594,0.002002);(151.0391,0.01901902);(163.0756,0.03903904);(175.0755,0.001001);(177.0912,0.00700701);(179.0706,0.00500501);(189.0909,0.002002);(191.0705,0.03603604);(203.0705,0.03003003);(205.0861,0.04604605);(217.0861,0.01201201);(221.081,0.03003003);(223.0966,0.27527528);(235.0967,0.0960961);(263.1068,0.002002);(281.1177,0.00600601);(291.1019,0.04704705);(295.133,0.00800801);(305.1175,0.04004004);(309.1125,0.02102102);(323.128,0.14814815);(341.1386,1.0)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(91.0543,0.00900901);(94.0414,0.01901902);(103.0543,0.07407407);(107.0492,0.00900901);(122.0364,0.05405405);(129.0699,0.01001001);(131.0493,0.09109109);(137.0598,1.0);(145.0653,0.01401401);(149.0595,0.00600601);(151.0396,0.00500501);(151.076,0.00500501);(157.065,0.01001001);(163.0761,0.00600601);(177.0916,0.00500501);(203.0861,0.00600601)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(91.0546,0.003003);(94.0413,0.00500501);(103.0542,0.03603604);(107.0492,0.004004);(122.0362,0.01201201);(129.0701,0.00500501);(131.0492,0.12712713);(137.0597,1.0);(145.0647,0.00900901);(147.044,0.00600601);(149.0598,0.00800801);(151.0389,0.01001001);(151.0756,0.00700701);(157.0648,0.01001001);(163.0754,0.01801802);(165.0546,0.00600601);(175.0755,0.00600601);(177.0549,0.002002);(177.0908,0.00900901);(189.0911,0.00800801);(191.071,0.00500501);(203.0855,0.004004);(205.0861,0.00500501);(217.0864,0.00500501);(231.0809,0.00600601);(263.1072,0.003003)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(65.0385,0.01701702);(66.0463,0.08808809);(77.0385,0.11011011);(79.0543,0.04804805);(81.0699,0.02802803);(91.0542,0.11611612);(94.0413,1.0);(95.0495,0.01301301);(103.0542,0.63063063);(105.0335,0.02202202);(107.0492,0.02402402);(115.054,0.02902903);(117.07,0.02502503);(118.0417,0.01201201);(122.0362,0.72972973);(128.062,0.05405405);(129.0699,0.03203203);(131.0491,0.08908909);(137.0596,0.92292292);(145.0648,0.02402402);(149.0598,0.01201201);(202.0779,0.01701702)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(91.0543,0.00900901);(94.0414,0.01901902);(103.0543,0.07407407);(107.0492,0.00900901);(122.0364,0.05405405);(129.07,0.01001001);(131.0493,0.09109109);(137.0598,1.0);(145.0653,0.01401401);(149.0596,0.00600601);(151.0397,0.00500501);(151.076,0.00500501);(157.065,0.01001001);(163.0761,0.00600601);(177.0917,0.00500501);(203.0861,0.00600601)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(122.0363,0.01501502);(131.0491,0.01201201);(137.0597,0.37537538);(145.065,0.00500501);(149.0594,0.003003);(151.0391,0.02602603);(151.0752,0.001001);(163.0755,0.04904905);(175.0757,0.001001);(177.0552,0.002002);(177.0911,0.00900901);(179.0705,0.00800801);(189.0909,0.004004);(191.0704,0.04304304);(203.0704,0.03203203);(205.0859,0.06106106);(217.0859,0.01601602);(221.0809,0.03203203);(223.0964,0.29029029);(235.0965,0.1001001);(263.1068,0.00600601);(281.1171,0.00600601);(291.1017,0.07507508);(295.1331,0.01501502);(305.1174,0.06206206);(309.1123,0.02402402);(323.1278,0.18218218);(341.1383,1.0)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(122.0363,0.01301301);(131.0492,0.01401401);(137.0597,0.38038038);(145.0648,0.004004);(149.0601,0.001001);(151.0391,0.02702703);(163.0755,0.04804805);(175.0753,0.001001);(177.0549,0.003003);(177.091,0.00900901);(179.0705,0.00700701);(189.0908,0.004004);(191.0703,0.04204204);(203.0703,0.03303303);(205.0859,0.06006006);(217.086,0.01501502);(221.0809,0.03703704);(223.0964,0.2962963);(235.0965,0.11311311);(263.1065,0.00500501);(281.1171,0.00600601);(291.1017,0.06406406);(295.1333,0.01201201);(305.1173,0.05205205);(309.1123,0.02502503);(323.1278,0.17817818);(341.1383,1.0)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(103.0542,0.02202202);(122.0362,0.003003);(131.049,0.14314314);(137.0596,1.0);(145.065,0.00600601);(147.0439,0.00700701);(149.0595,0.00600601);(151.0388,0.01501502);(151.0753,0.00500501);(157.0647,0.00600601);(163.0753,0.04604605);(165.0544,0.00800801);(177.055,0.004004);(177.091,0.01101101);(179.0698,0.004004);(189.0908,0.01001001);(191.0696,0.00500501);(203.0863,0.003003);(205.0858,0.01301301);(217.0858,0.01601602);(223.0964,0.00500501);(231.0804,0.00700701);(263.1065,0.003003)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(103.0542,0.02202202);(122.0362,0.003003);(131.0491,0.14314314);(137.0596,1.0);(145.065,0.00600601);(147.044,0.00700701);(149.0595,0.00600601);(151.0389,0.01501502);(151.0753,0.00500501);(157.0648,0.00600601);(163.0753,0.04604605);(165.0544,0.00800801);(177.055,0.004004);(177.091,0.01101101);(179.0698,0.004004);(189.0908,0.01001001);(191.0696,0.00500501);(203.0863,0.003003);(205.0858,0.01301301);(217.0858,0.01601602);(223.0964,0.00500501);(231.0804,0.00700701);(263.1065,0.003003)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(91.0546,0.003003);(94.0414,0.00500501);(103.0543,0.03603604);(107.0492,0.004004);(122.0362,0.01201201);(129.0702,0.00500501);(131.0492,0.12712713);(137.0597,1.0);(145.0647,0.00900901);(147.044,0.00600601);(149.0599,0.00800801);(151.0389,0.01001001);(151.0756,0.00700701);(157.0649,0.01001001);(163.0754,0.01801802);(165.0546,0.00600601);(175.0755,0.00600601);(177.055,0.002002);(177.0909,0.00900901);(189.0911,0.00800801);(191.071,0.00500501);(203.0856,0.004004);(205.0861,0.00500501);(217.0864,0.00500501);(231.0809,0.00600601);(263.1072,0.003003)
LC-MS/MSLC-ESI-ITFTPositivelowView Spectrum(122.0363,0.00900901);(131.0492,0.00600601);(137.0597,0.26426426);(151.0389,0.01601602);(163.0754,0.02402402);(177.0905,0.002002);(179.0701,0.003003);(189.0903,0.001001);(191.0703,0.02402402);(203.0703,0.02202202);(205.086,0.02402402);(217.0856,0.00500501);(221.081,0.03603604);(223.0965,0.23123123);(235.0966,0.0970971);(281.1174,0.002002);(291.1017,0.02502503);(295.1332,0.00500501);(305.1172,0.02102102);(309.1121,0.01201201);(323.1279,0.08608609);(341.1385,0.81681682);(359.1491,1.0)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(65.0386,0.03303303);(66.0464,0.18918919);(77.0387,0.12912913);(79.0544,0.02602603);(81.0699,0.00700701);(91.0543,0.06406406);(94.0414,1.0);(95.0493,0.01801802);(102.0465,0.01001001);(103.0543,0.27627628);(105.0332,0.00600601);(107.0491,0.01401401);(115.0543,0.02702703);(117.0699,0.01501502);(122.0363,0.32832833);(128.0622,0.03603604);(131.0492,0.02802803);(137.0598,0.15915916);(147.0436,0.00800801);(202.0775,0.01601602)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(117.0703,0.001001);(122.0362,0.01901902);(131.0492,0.01801802);(137.0597,0.45345345);(145.0649,0.00600601);(149.0597,0.00500501);(151.0389,0.02802803);(163.0754,0.06206206);(177.054,0.003003);(177.0909,0.01401401);(179.0704,0.01001001);(187.075,0.001001);(189.0906,0.003003);(191.0702,0.04404404);(203.0702,0.04004004);(205.0859,0.07007007);(217.0856,0.02102102);(221.0807,0.02602603);(223.0963,0.28728729);(235.0963,0.0950951);(259.0741,0.002002);(263.1064,0.00800801);(281.117,0.00800801);(291.1015,0.0970971);(295.1326,0.01301301);(305.1171,0.08208208);(309.112,0.03103103);(323.1276,0.22622623);(341.1382,1.0)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(122.0362,0.01501502);(131.0492,0.01501502);(137.0597,0.37137137);(145.0648,0.004004);(149.0599,0.003003);(151.039,0.02902903);(151.0756,0.002002);(163.0754,0.05305305);(177.0554,0.001001);(177.091,0.01001001);(179.0703,0.00700701);(189.0917,0.002002);(191.0702,0.04304304);(203.0703,0.03603604);(205.0859,0.06306306);(217.0858,0.01601602);(221.0808,0.02902903);(223.0963,0.2962963);(235.0964,0.10610611);(263.1067,0.00500501);(281.117,0.00700701);(291.1015,0.06906907);(295.1325,0.01401401);(305.1171,0.05705706);(309.112,0.02602603);(323.1276,0.18918919);(341.1382,1.0)
LC-MS/MSLC-ESI-ITFTPositivemediumView Spectrum(131.049,0.03203203);(137.0596,1.0);(151.0389,0.02002002);(163.0751,0.05305305);(205.0855,0.01401401);(217.0863,0.00600601);(223.0962,0.08008008);(235.0962,0.01801802);(341.1383,0.02402402);(359.1481,0.03003003)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(122.0363,0.01301301);(131.0492,0.00900901);(137.0598,0.33233233);(145.0648,0.003003);(149.0595,0.002002);(151.0392,0.01901902);(163.0756,0.03903904);(175.0755,0.001001);(177.0912,0.00700701);(179.0706,0.00500501);(189.0909,0.002002);(191.0705,0.03603604);(203.0705,0.03003003);(205.0861,0.04604605);(217.0861,0.01201201);(221.081,0.03003003);(223.0967,0.27527528);(235.0967,0.0960961);(263.1068,0.002002);(281.1177,0.00600601);(291.1019,0.04704705);(295.133,0.00800801);(305.1175,0.04004004);(309.1125,0.02102102);(323.128,0.14814815);(341.1386,1.0)
LC-MS/MSLC-ESI-ITFTPositivemediumView Spectrum(122.0361,0.01401401);(131.0491,0.00900901);(137.0596,0.33633634);(149.0596,0.003003);(151.0389,0.02202202);(163.0752,0.04204204);(177.0906,0.003003);(179.0701,0.004004);(189.0911,0.001001);(191.0701,0.03603604);(203.0701,0.03003003);(205.0858,0.04204204);(217.0859,0.01101101);(221.0808,0.04204204);(223.0963,0.30530531);(235.0963,0.11611612);(263.1069,0.003003);(281.1171,0.004004);(291.1014,0.04204204);(295.1327,0.01001001);(305.117,0.04004004);(309.1119,0.01901902);(323.1275,0.14014014);(341.1381,1.0);(359.1495,0.001001)
LC-MS/MSLC-ESI-ITFTPositivemediumView Spectrum(122.0362,0.01301301);(131.049,0.00900901);(137.0596,0.35535536);(145.0647,0.002002);(149.0593,0.001001);(151.0389,0.02502503);(163.0754,0.04004004);(177.0545,0.001001);(177.0909,0.00600601);(179.0704,0.00600601);(189.0911,0.002002);(191.0702,0.04004004);(203.0702,0.03203203);(205.086,0.04404404);(217.0859,0.01301301);(221.0808,0.03803804);(223.0964,0.29229229);(235.0964,0.11711712);(263.1066,0.002002);(281.1169,0.00500501);(291.1015,0.04804805);(295.1326,0.01001001);(305.1172,0.04204204);(309.1119,0.01801802);(323.1276,0.15215215);(341.1382,1.0)
LC-MS/MSLC-ESI-ITFTPositivelowView Spectrum(137.0594,1.0);(341.1392,0.28228228);(359.1494,0.93993994)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(77.0387,0.01001001);(79.0542,0.01301301);(81.0698,0.00900901);(91.0542,0.03103103);(94.0413,0.14314314);(103.0542,0.21121121);(107.049,0.01701702);(115.0541,0.00500501);(117.0699,0.01401401);(119.0488,0.00700701);(122.0362,0.24024024);(128.062,0.00500501);(129.0697,0.02002002);(131.0491,0.10510511);(137.0596,1.0);(145.065,0.01401401);(149.0599,0.00700701);(151.0389,0.00900901);(157.0649,0.00900901);(174.0683,0.00700701);(203.0856,0.00700701);(231.0805,0.00500501)
LC-MS/MSLC-ESI-ITFTPositivehighView Spectrum(122.0362,0.01301301);(131.049,0.00900901);(137.0597,0.35535536);(145.0647,0.002002);(149.0593,0.001001);(151.0389,0.02502503);(163.0754,0.04004004);(177.0545,0.001001);(177.091,0.00600601);(179.0704,0.00600601);(189.0911,0.002002);(191.0703,0.04004004);(203.0703,0.03203203);(205.086,0.04404404);(217.0859,0.01301301);(221.0808,0.03803804);(223.0964,0.29229229);(235.0964,0.11711712);(263.1066,0.002002);(281.1169,0.00500501);(291.1015,0.04804805);(295.1326,0.01001001);(305.1172,0.04204204);(309.1119,0.01801802);(323.1276,0.15215215);(341.1382,1.0)
LC-MS/MSLC-ESI-ITFTPositivemediumView Spectrum(131.049,0.07407407);(137.0596,1.0);(149.0597,0.004004);(151.0388,0.02702703);(163.0752,0.07907908);(179.0697,0.00600601);(191.0704,0.00600601);(205.085,0.01301301);(217.0854,0.02902903);(223.0966,0.03103103);(235.0958,0.004004);(263.1065,0.00600601);(291.1002,0.01001001);(323.1285,0.00500501);(341.1398,0.00500501)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.05746,0.1971972);(138.05753,0.00600601);(138.06775,0.01401401);(139.06929,0.00500501);(151.07199,0.00900901);(163.07556,0.02302302);(164.0811,0.00600601);(220.08344,0.00500501);(221.07532,0.01401401);(223.09665,0.04004004);(224.10027,0.00900901);(235.09975,0.01101101);(291.10208,0.04304304);(295.13068,0.00600601);(295.14157,0.00500501);(305.11298,0.01301301);(305.12387,0.01001001);(306.1254,0.00800801);(309.10895,0.00600601);(313.14767,0.00700701);(323.12961,0.11711712);(324.12775,0.01101101);(324.14255,0.00500501);(341.13846,0.67367367);(342.14111,0.17417417);(343.14621,0.02602603);(358.12476,0.01701702);(358.14517,0.07107107);(359.10843,0.00600601);(359.14862,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.04696,0.00800801);(103.05424,0.01401401);(103.06033,0.00900901);(119.04942,0.00800801);(122.03737,0.02102102);(123.04116,0.00500501);(131.04836,0.13313313);(132.04956,0.02002002);(135.0417,0.00600601);(135.07657,0.00500501);(137.03909,0.01001001);(137.05913,1.0);(138.05389,0.01801802);(138.06262,0.1021021);(139.06953,0.00600601);(143.04753,0.00600601);(145.06841,0.00800801);(147.04166,0.01201201);(149.05733,0.01801802);(151.03542,0.00600601);(151.07368,0.01501502);(157.05913,0.00600601);(157.06721,0.00700701);(161.05522,0.00500501);(163.07722,0.02002002);(164.07581,0.00600601);(165.05363,0.01301301);(174.06694,0.00700701);(175.06976,0.00700701);(177.05273,0.01201201);(177.06346,0.00600601);(178.05728,0.01001001);(189.08994,0.00800801);(191.06729,0.00600601);(203.07587,0.01701702);(203.08923,0.01201201);(204.09125,0.00600601);(231.08273,0.04504505);(232.07973,0.01301301);(232.08951,0.01001001);(245.09492,0.00600601);(246.09399,0.00500501);(248.07738,0.00800801);(248.08641,0.00800801);(248.09653,0.00700701);(249.08374,0.01601602);(259.07568,0.02002002);(260.07693,0.00600601);(260.08972,0.01001001);(263.10739,0.03103103);(264.10449,0.00900901);(273.08731,0.00600601);(273.09723,0.00700701);(274.09247,0.00500501);(276.08594,0.00900901);(277.08896,0.00600601);(291.08884,0.00500501);(291.10535,0.02702703);(292.11191,0.01801802);(306.12134,0.00700701)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.04813,0.00600601);(103.05408,0.02202202);(104.06081,0.00500501);(122.03696,0.02402402);(123.04221,0.00500501);(131.04884,0.11611612);(132.04414,0.00600601);(132.05493,0.00900901);(137.02974,0.00700701);(137.05923,1.0);(138.06271,0.1041041);(139.06548,0.01101101);(145.0594,0.01101101);(147.04356,0.01001001);(148.05066,0.00800801);(149.05798,0.01401401);(151.07471,0.02202202);(157.0663,0.01801802);(161.05577,0.01101101);(163.06685,0.01201201);(163.07892,0.01401401);(165.05466,0.00800801);(175.06911,0.00900901);(175.07979,0.01701702);(177.05641,0.01501502);(177.08345,0.00800801);(177.09389,0.00700701);(189.09218,0.01101101);(203.08533,0.02902903);(205.08493,0.00700701);(231.07053,0.01201201);(231.08841,0.03403403);(232.09154,0.00900901);(235.11775,0.00700701);(248.07825,0.01001001);(248.08846,0.00800801);(259.06653,0.00900901);(259.08163,0.00700701);(260.09335,0.00700701);(261.08264,0.00900901);(261.09412,0.00600601);(262.09146,0.00500501);(263.10641,0.03703704);(264.10226,0.00600601);(265.09534,0.00600601);(274.10236,0.01001001);(276.07303,0.00600601);(276.08975,0.00800801);(291.09943,0.04404404);(292.12073,0.00800801);(305.10788,0.00500501)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(65.03817,0.00500501);(66.04935,0.01701702);(77.03975,0.01601602);(79.04996,0.00500501);(79.05608,0.00600601);(80.05331,0.00500501);(81.06814,0.00500501);(89.03723,0.00600601);(89.04239,0.00600601);(91.04821,0.01101101);(91.05372,0.01801802);(91.0618,0.00500501);(93.69841,0.00900901);(94.04202,0.24024024);(95.04301,0.01101101);(95.04877,0.01201201);(103.03135,0.00700701);(103.05179,0.05305305);(103.05836,0.03903904);(104.05876,0.01401401);(105.03577,0.00700701);(107.05123,0.01101101);(109.06667,0.00600601);(115.06171,0.00500501);(117.06954,0.00900901);(118.0387,0.00600601);(119.04937,0.00600601);(122.03585,0.55655656);(122.07,0.00800801);(122.3609,0.00600601);(122.79423,0.00600601);(123.03128,0.00500501);(123.04047,0.02702703);(127.05694,0.01301301);(128.06009,0.01101101);(129.06575,0.02502503);(129.073,0.01201201);(130.06821,0.00600601);(130.07887,0.00600601);(131.04234,0.03203203);(131.04961,0.05905906);(131.09706,0.00500501);(132.05125,0.01401401);(132.05943,0.00500501);(134.03757,0.01801802);(135.0443,0.01901902);(135.05055,0.00700701);(137.0388,0.02102102);(137.05881,1.0);(137.38898,0.00600601);(138.01865,0.00600601);(138.06311,0.07507508);(139.05272,0.01701702);(139.06339,0.01001001);(145.05811,0.01201201);(146.02847,0.01801802);(146.04706,0.00800801);(148.04572,0.00700701);(149.05898,0.01101101);(151.07639,0.00500501);(157.05534,0.00500501);(157.0631,0.00600601);(160.04974,0.04404404);(161.05363,0.01201201);(161.06346,0.01001001);(163.03735,0.00600601);(168.08812,0.00600601);(177.41071,0.00700701);(178.07341,0.00500501);(179.02899,0.00600601);(179.08876,0.00500501);(189.06938,0.01101101);(190.06531,0.00600601);(190.08057,0.00600601);(191.0779,0.01301301);(194.06624,0.00600601);(194.09219,0.00600601);(201.06586,0.01901902);(201.80788,0.00500501);(202.0636,0.01001001);(202.07376,0.03203203);(202.08301,0.02902903);(203.02113,0.00600601);(203.08362,0.03203203);(219.0813,0.05205205);(220.08844,0.01201201);(221.09891,0.00800801);(231.07806,0.02902903);(247.06244,0.00600601);(247.07787,0.01401401);(247.08476,0.00600601);(248.08278,0.01001001);(261.0614,0.00700701);(263.07968,0.00700701);(289.06616,0.00600601);(307.67758,0.00500501)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.05913,0.2022022);(138.06352,0.01401401);(163.07294,0.01701702);(221.0809,0.00900901);(223.09567,0.04804805);(291.09964,0.01301301);(295.13641,0.00600601);(305.11453,0.01501502);(305.1282,0.00600601);(309.1102,0.01201201);(323.12991,0.11011011);(324.12628,0.02202202);(324.14288,0.00700701);(341.0946,0.00500501);(341.13867,0.67867868);(342.14377,0.15815816);(343.14676,0.03703704);(358.14163,0.06706707);(359.08069,0.00600601);(359.10922,0.00600601);(359.14908,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(63.30418,0.00700701);(66.04417,0.01601602);(77.03668,0.00600601);(77.77641,0.00600601);(79.05614,0.02302302);(81.00697,0.00500501);(81.06744,0.01201201);(91.05451,0.03403403);(94.01173,0.00700701);(94.03944,0.21421421);(94.57506,0.00600601);(94.66869,0.00500501);(95.0507,0.00700701);(102.04464,0.01001001);(103.05472,0.20620621);(104.06158,0.01801802);(105.0425,0.00600601);(105.06563,0.00700701);(105.07606,0.00800801);(107.04417,0.00500501);(107.05099,0.00700701);(108.02496,0.00800801);(108.04375,0.00800801);(109.04994,0.00900901);(115.05533,0.01801802);(116.05168,0.00900901);(117.03391,0.01201201);(117.06553,0.01101101);(117.07093,0.01701702);(118.04271,0.00600601);(118.05837,0.00700701);(118.08265,0.00600601);(121.06315,0.00600601);(122.00357,0.00800801);(122.03577,0.51151151);(123.0424,0.03103103);(128.06093,0.00700701);(129.06671,0.02802803);(130.04054,0.00600601);(131.04965,0.06906907);(131.0621,0.00900901);(132.05299,0.01901902);(132.06296,0.01501502);(133.06564,0.01101101);(135.04163,0.01201201);(136.05669,0.00800801);(136.74744,0.00500501);(137.05875,1.0);(137.15198,0.00700701);(137.3559,0.00600601);(138.06258,0.11811812);(139.04453,0.00600601);(139.05206,0.00600601);(139.06015,0.00500501);(146.03391,0.00800801);(146.06549,0.00500501);(147.03964,0.01501502);(147.07135,0.00500501);(149.05737,0.02102102);(152.05733,0.00900901);(152.65948,0.01001001);(153.06227,0.00600601);(157.04474,0.00700701);(158.06664,0.00600601);(158.33733,0.00700701);(159.04169,0.00600601);(160.05389,0.02402402);(162.04083,0.00900901);(165.30759,0.01201201);(166.07199,0.00500501);(167.55174,0.01001001);(175.07771,0.00700701);(178.08737,0.01001001);(181.0679,0.01501502);(189.05048,0.01101101);(189.06848,0.00600601);(189.09093,0.01001001);(190.07756,0.00600601);(191.08385,0.01501502);(192.08569,0.00500501);(194.09848,0.00900901);(202.07088,0.01201201);(202.08276,0.04604605);(202.09201,0.01101101);(203.07893,0.02902903);(203.09062,0.04704705);(204.09071,0.00700701);(205.06999,0.01501502);(206.06607,0.00500501);(211.08121,0.00600601);(218.05707,0.00700701);(219.08014,0.03003003);(220.08199,0.00600601);(220.10327,0.00600601);(221.09209,0.01201201);(222.05959,0.00600601);(222.06819,0.00600601);(227.79855,0.00500501);(229.07094,0.00700701);(231.06432,0.01401401);(231.08113,0.03303303);(232.0213,0.01101101);(232.08997,0.00700701);(232.93852,0.00500501);(247.08981,0.01201201);(248.07881,0.02402402);(250.05412,0.00600601);(251.07701,0.00600601);(255.97894,0.00600601);(260.08627,0.00500501);(264.08032,0.00600601);(275.06534,0.00600601)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(81.07104,0.00700701);(91.0528,0.00600601);(94.04145,0.00600601);(103.0536,0.01201201);(121.06488,0.00600601);(122.03738,0.03503504);(123.03862,0.00600601);(131.04958,0.06206206);(132.05136,0.01201201);(137.02617,0.00500501);(137.05949,1.0);(138.06201,0.08308308);(138.07111,0.01301301);(145.06262,0.01701702);(147.04085,0.01101101);(148.0473,0.00900901);(149.05942,0.01201201);(151.04427,0.01001001);(157.06543,0.00800801);(161.05775,0.00700701);(163.05995,0.00500501);(163.07292,0.08608609);(163.08372,0.01301301);(164.0818,0.01101101);(165.05284,0.01301301);(165.08253,0.00500501);(175.07649,0.01001001);(175.08386,0.00900901);(177.05241,0.01401401);(177.06065,0.00800801);(178.0587,0.00900901);(189.09322,0.00700701);(191.07425,0.01601602);(202.07939,0.00600601);(203.08194,0.01701702);(203.09354,0.01001001);(220.09032,0.00700701);(221.08112,0.01301301);(222.08049,0.00900901);(223.097,0.03403403);(231.07816,0.05605606);(235.09982,0.00500501);(245.09285,0.00700701);(248.08954,0.00600601);(253.08159,0.00500501);(259.0661,0.00700701);(259.07397,0.01701702);(263.10022,0.01601602);(263.11005,0.01801802);(264.10834,0.01001001);(276.06815,0.00700701);(291.10153,0.08008008);(292.0899,0.00700701);(292.1087,0.02002002);(293.10748,0.00700701);(297.14026,0.00600601);(305.11203,0.02602603);(305.1387,0.01101101);(306.12164,0.01101101);(323.13028,0.08408408);(324.13461,0.01601602);(325.1322,0.00600601);(341.09479,0.00800801);(341.1405,0.27627628);(342.12708,0.01001001);(342.14551,0.06706707);(343.15265,0.00500501);(358.14169,0.04204204);(359.11029,0.00500501);(359.15158,0.28828829)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(66.04382,0.00800801);(77.03693,0.01601602);(77.9943,0.01001001);(79.041,0.00500501);(79.0535,0.03303303);(81.06904,0.00600601);(91.05061,0.02902903);(91.05626,0.02702703);(92.05791,0.01201201);(93.06452,0.00700701);(93.97333,0.00700701);(94.03986,0.23423423);(95.04362,0.01001001);(102.04195,0.00600601);(103.04265,0.01401401);(103.0538,0.16616617);(104.05824,0.01601602);(106.03886,0.00600601);(107.04717,0.00600601);(108.02053,0.01101101);(108.0559,0.01901902);(109.06434,0.02402402);(115.0377,0.00600601);(115.0519,0.02502503);(117.03055,0.01301301);(117.04425,0.01501502);(117.06819,0.02102102);(118.04079,0.00900901);(119.04753,0.01801802);(121.06605,0.00700701);(122.03632,0.44944945);(122.62157,0.00600601);(123.03686,0.02202202);(123.4159,0.00600601);(124.04012,0.01901902);(127.04065,0.00600601);(127.05465,0.01701702);(128.05872,0.04104104);(128.06784,0.01001001);(129.07083,0.00600601);(130.03961,0.01201201);(131.04449,0.04404404);(131.05219,0.04404404);(131.06151,0.00500501);(132.05521,0.02002002);(133.05339,0.00600601);(137.05838,1.0);(137.49937,0.00500501);(138.06108,0.03903904);(138.06622,0.01701702);(139.0619,0.01201201);(145.05693,0.01601602);(145.06544,0.00600601);(146.03578,0.01001001);(147.04181,0.01801802);(149.05766,0.01701702);(151.03751,0.00800801);(151.07333,0.00600601);(157.06543,0.01301301);(160.04634,0.00600601);(160.05742,0.03103103);(161.06219,0.00600601);(163.03986,0.00700701);(165.07175,0.01201201);(166.07545,0.00700701);(169.88779,0.00700701);(174.06862,0.00800801);(174.07681,0.00600601);(177.07765,0.00700701);(178.09288,0.00700701);(179.07239,0.00900901);(189.06723,0.02002002);(190.07503,0.01501502);(191.07899,0.01201201);(193.09955,0.01701702);(201.03847,0.00700701);(201.07657,0.01201201);(202.07181,0.07107107);(203.08417,0.03303303);(204.08305,0.02002002);(204.09215,0.02002002);(205.06531,0.01801802);(206.02097,0.00600601);(215.08987,0.00600601);(219.06662,0.01201201);(219.08098,0.00500501);(220.08578,0.01201201);(220.09557,0.00800801);(221.06186,0.00700701);(226.08636,0.00600601);(230.06213,0.01101101);(231.04935,0.00600601);(231.07841,0.03703704);(234.06677,0.00600601);(247.08052,0.01701702);(248.0829,0.01601602);(250.0368,0.00600601);(250.06583,0.00600601);(260.0791,0.00600601);(273.77808,0.00600601);(277.08603,0.00500501)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.05943,0.17717718);(138.06403,0.01901902);(163.0688,0.00700701);(163.07622,0.01201201);(221.08408,0.00600601);(223.09718,0.05605606);(224.09676,0.01301301);(235.09489,0.01301301);(291.08728,0.00600601);(291.1037,0.01801802);(305.11084,0.00800801);(305.12103,0.01401401);(306.12003,0.00500501);(309.11008,0.02102102);(323.12613,0.11311311);(324.13678,0.01601602);(341.08167,0.00600601);(341.13858,0.66466466);(342.12048,0.01301301);(342.14288,0.17417417);(343.13547,0.01001001);(343.14764,0.01701702);(358.1434,0.08308308);(359.11554,0.01101101);(359.1492,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.04919,0.00800801);(103.05797,0.01501502);(104.05637,0.00600601);(107.04667,0.00600601);(122.0355,0.05305305);(131.03951,0.01101101);(131.04874,0.08108108);(132.05237,0.00700701);(137.02235,0.00500501);(137.05888,1.0);(138.05826,0.03503504);(138.06395,0.0980981);(143.04198,0.00500501);(145.06165,0.00600601);(147.043,0.00800801);(149.05995,0.01701702);(151.03687,0.00900901);(151.07315,0.02002002);(161.05319,0.00500501);(161.06044,0.00700701);(163.07591,0.06906907);(164.07779,0.00900901);(165.04659,0.01301301);(165.05319,0.02602603);(165.07793,0.00700701);(175.07002,0.01701702);(175.08171,0.00600601);(177.05507,0.00900901);(178.05934,0.00600601);(179.06824,0.01501502);(189.09045,0.00600601);(191.06993,0.00500501);(203.07419,0.00700701);(203.08775,0.03103103);(204.08226,0.00900901);(205.08577,0.01301301);(206.0708,0.00600601);(217.08069,0.00500501);(217.09074,0.00800801);(221.09062,0.00700701);(223.07622,0.00800801);(223.09302,0.02502503);(223.10182,0.02202202);(231.05846,0.00700701);(231.07683,0.03103103);(232.08688,0.02302302);(234.06984,0.00800801);(235.11862,0.00600601);(248.073,0.00700701);(248.0883,0.00500501);(259.06766,0.00900901);(259.07993,0.02002002);(260.08911,0.00700701);(263.10461,0.06306306);(264.11234,0.00600601);(273.08478,0.00900901);(274.09528,0.01401401);(277.08127,0.00900901);(279.11374,0.00700701);(290.36426,0.00700701);(291.09982,0.08408408);(291.11874,0.00600601);(292.1153,0.00900901);(293.10135,0.00700701);(295.12094,0.00700701);(296.13,0.00500501);(305.10736,0.01301301);(305.12158,0.03003003);(309.10345,0.00900901);(323.09238,0.00500501);(323.12775,0.13213213);(324.13522,0.01801802);(335.60608,0.00500501);(341.09702,0.00600601);(341.13635,0.33033033);(342.12692,0.01701702);(342.14502,0.05705706);(343.14243,0.01601602);(343.16446,0.00700701);(358.13651,0.03303303);(359.09039,0.00600601);(359.14563,0.28628629);(359.16092,0.06006006)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(93.03094,0.00500501);(121.06631,0.00700701);(122.0156,0.00600601);(122.03687,0.03603604);(123.035,0.00900901);(131.04289,0.02202202);(131.05206,0.07707708);(132.05745,0.01001001);(137.03395,0.01101101);(137.05984,1.0);(138.05658,0.02002002);(138.0643,0.07907908);(139.06401,0.01901902);(149.05641,0.01001001);(151.06557,0.00600601);(157.05736,0.00500501);(159.73776,0.00600601);(163.07477,0.07407407);(165.05476,0.01501502);(175.06071,0.00800801);(175.07599,0.01601602);(177.04936,0.01001001);(179.06972,0.02802803);(189.09102,0.01201201);(201.08139,0.00600601);(203.08167,0.02102102);(203.09146,0.00600601);(205.08466,0.00900901);(217.08298,0.01301301);(221.07137,0.00800801);(221.08437,0.00800801);(223.08838,0.02002002);(223.10027,0.04304304);(231.07133,0.00900901);(231.09196,0.01501502);(232.08023,0.00700701);(235.0847,0.00600601);(235.10532,0.00800801);(248.07991,0.01501502);(249.10191,0.00500501);(259.06924,0.01301301);(259.08167,0.00800801);(260.08276,0.01201201);(263.10687,0.02502503);(263.11731,0.02202202);(273.08182,0.00600601);(276.06982,0.00600601);(276.08911,0.00600601);(277.07858,0.00600601);(281.1185,0.00800801);(291.09573,0.04304304);(291.10712,0.05405405);(292.10233,0.02102102);(295.12961,0.00500501);(305.11411,0.04104104);(306.11963,0.00600601);(309.11948,0.00600601);(323.12704,0.08808809);(324.13,0.01401401);(324.14786,0.00600601);(325.13699,0.01501502);(341.13889,0.30930931);(342.14478,0.09009009);(343.13809,0.00900901);(343.16193,0.00600601);(358.12781,0.00700701);(358.1391,0.00900901);(358.155,0.01201201);(359.14258,0.11111111);(359.15317,0.23523524)
LC-MS/MSLC-ESI-QFTNegativemediumView Spectrum(50.028419,0.00008155);(50.419037,0.00007489);(50.599962,0.00007107);(50.900493,0.00006241);(51.167015,0.00009868);(51.286238,0.00008516);(51.603501,0.00007487);(52.133539,0.00007488);(52.214579,0.00007556);(53.240199,0.0000849);(54.427444,0.00007276);(54.615288,0.0000874);(55.017557,0.02061973);(55.206034,0.00008912);(55.318711,0.0000836);(55.802049,0.00008503);(55.974844,0.00009061);(56.223404,0.0000857);(56.3304,0.00008349);(56.847778,0.00006205);(57.182735,0.0000968);(57.205055,0.00008883);(57.806946,0.00006266);(58.635958,0.00006659);(59.012516,0.00660031);(59.283732,0.00008902);(59.514218,0.00009117);(59.571194,0.00010457);(60.102856,0.00010261);(60.331322,0.00008808);(60.44679,0.00006281);(61.718715,0.00008483);(62.01063,0.00007299);(65.827587,0.00007001);(66.059358,0.00010341);(66.205667,0.00007208);(67.326202,0.0001184);(67.382311,0.00007749);(67.489479,0.00008973);(68.647836,0.00008189);(68.842753,0.00010131);(71.012563,0.00088715);(71.045146,0.00008635);(71.050295,0.00010233);(71.096582,0.00006365);(71.436501,0.00010594);(71.687335,0.0001026);(71.693779,0.0000821);(71.846224,0.00008747);(72.127358,0.0000882);(72.130958,0.00007596);(72.268243,0.00009476);(72.555055,0.00009153);(72.769621,0.0000864);(73.279876,0.00009069);(73.641575,0.00006923);(74.087689,0.00005917);(74.238576,0.00009078);(74.593941,0.00008738);(76.680636,0.00009891);(77.838519,0.0000618);(78.406438,0.0000776);(79.050634,0.0000894);(79.225666,0.00006776);(79.290873,0.00006337);(79.313591,0.00009578);(80.119886,0.00006915);(80.259808,0.00006589);(80.400143,0.00009038);(80.628387,0.00009975);(81.055991,0.00007154);(81.232933,0.00008702);(81.455438,0.00008508);(83.01252,1.0);(84.01584,0.03802057);(84.020271,0.00096646);(84.918338,0.00015414);(84.980051,0.00006388);(85.016653,0.00023071);(85.028166,0.00377845);(85.314513,0.00006895);(85.742172,0.00006438);(85.940246,0.00010311);(87.658676,0.00006262);(88.592256,0.00008392);(89.09082,0.00006323);(89.263573,0.00009603);(92.14701,0.00008957);(92.728977,0.00007895);(93.03332,0.00119118);(93.240451,0.0000935);(93.458877,0.00007277);(94.525271,0.00007802);(94.77236,0.00007694);(95.049018,0.00021232);(95.173976,0.00006733);(95.25988,0.00009852);(95.402198,0.00008783);(95.479782,0.0000633);(97.446706,0.00008002);(97.96622,0.00008744);(98.828905,0.00006995);(98.923521,0.00010767);(100.331593,0.00009921);(100.690399,0.00006371);(100.719016,0.00008484);(101.227836,0.00006733);(101.68423,0.00006908);(102.149544,0.00007397);(102.57797,0.00008134);(104.454741,0.00006836);(105.029224,0.00006873);(106.439823,0.00009248);(108.020399,0.00170182);(109.028281,0.00443538);(109.673044,0.00008924);(109.701422,0.0000996);(110.102942,0.00008386);(111.692445,0.00008215);(112.851576,0.00010101);(113.425285,0.0000735);(113.703475,0.00007946);(113.727441,0.00006837);(113.857939,0.00008084);(114.239052,0.00007546);(114.600455,0.0000718);(117.515546,0.00007973);(118.306578,0.00010631);(119.012653,0.00027526);(119.978269,0.00012427);(121.028305,0.0781511);(121.03312,0.0010177);(121.564143,0.00010914);(122.031801,0.00413782);(122.036122,0.13226901);(122.979064,0.00008213);(123.007626,0.00224874);(123.039492,0.00732658);(123.043945,0.08437883);(124.015482,0.00419302);(124.047388,0.00500287);(126.039908,0.00008316);(126.190425,0.0000908);(126.264652,0.00008831);(126.474713,0.00007823);(127.998888,0.00006568);(128.66854,0.00011099);(129.385355,0.00006965);(132.004029,0.00008896);(133.217046,0.00007172);(134.036096,0.00007899);(134.659358,0.00007487);(135.044121,0.00388049);(136.015447,0.01195017);(136.045824,0.00043431);(136.051773,0.07364896);(136.473005,0.00007364);(137.023343,0.00405649);(137.059661,0.24482453);(138.031139,0.00045513);(138.062963,0.01839717);(140.906525,0.00006926);(141.483818,0.00008387);(142.736442,0.000069);(144.179914,0.00010728);(146.036158,0.00328609);(146.207674,0.00007009);(147.044014,0.06506383);(148.047313,0.00408949);(148.213285,0.00009027);(148.513798,0.00007108);(149.059812,0.00696799);(150.262605,0.00008174);(151.038983,0.00805852);(151.075427,0.0008921);(152.182742,0.00007576);(152.579541,0.00008424);(152.839736,0.00008038);(152.885212,0.00007663);(153.6556,0.00008109);(154.026256,0.00113704);(155.259216,0.00006954);(158.154077,0.00006592);(159.044359,0.00007886);(159.817039,0.00009933);(160.052056,0.0059104);(160.699393,0.00008582);(161.023488,0.00064334);(161.059943,0.02721174);(161.243412,0.0000932);(162.067884,0.02838002);(162.66542,0.00008815);(163.038856,0.00007586);(163.071097,0.00124342);(163.560872,0.00009871);(167.591342,0.00010312);(168.041876,0.00210677);(169.342083,0.00006744);(169.356059,0.00009665);(169.390629,0.0000709);(169.901631,0.00006977);(172.246576,0.00008615);(173.252558,0.00006952);(173.498875,0.00006465);(173.906951,0.00007083);(175.03925,0.00170468);(175.075583,0.00573202);(176.047061,0.00293711);(177.055112,0.00125967);(177.090795,0.00009192);(180.94631,0.0000794);(181.262817,0.00010532);(183.322735,0.00006957);(183.684316,0.00008093);(184.626777,0.00009163);(185.291469,0.00009827);(188.047355,0.0001778);(191.070599,0.01141437);(191.411266,0.00009641);(195.065634,0.0009961);(196.629773,0.00006202);(196.800464,0.00009843);(198.359724,0.00007614);(202.517283,0.00008905);(203.582617,0.00006892);(203.666764,0.00007944);(204.042287,0.00270505);(204.206846,0.00011275);(205.049959,0.00651547);(205.333081,0.00007494);(206.057874,0.01048538);(207.061459,0.00007282);(209.081389,0.05162352);(210.084759,0.00543518);(210.371701,0.00007615);(213.17735,0.00008171);(214.721569,0.00315371);(214.737193,0.00125645);(214.949849,0.00009581);(216.087132,0.00008324);(219.065801,0.00268221);(220.070215,0.00007618);(221.081507,0.07427233);(222.084922,0.00793666);(222.471764,0.00012313);(222.600123,0.00009332);(224.601064,0.00007994);(224.934588,0.00008783);(228.886696,0.00010061);(229.194137,0.00006622);(232.856027,0.00014047);(235.097095,0.00028237);(237.847968,0.00009811);(239.171305,0.00008226);(240.079392,0.00028479);(242.385811,0.00006053);(242.952114,0.00009546);(249.266488,0.00009081);(255.400243,0.00008124);(266.076494,0.00008338);(271.849762,0.00007688);(274.616098,0.00006739);(275.078846,0.0000788);(275.14426,0.00009634);(276.53921,0.00009405);(278.2434,0.00013065);(280.110428,0.00072481);(280.171616,0.00007983);(280.456789,0.00010032);(280.491826,0.0000655);(281.117722,0.00086345);(282.265867,0.00007551);(282.418341,0.000106);(283.097424,0.00443997);(285.48848,0.00006725);(291.230386,0.00007773);(295.133861,0.00401269);(297.112917,0.00028444);(298.121025,0.02375387);(299.06296,0.00008505);(299.124224,0.00323006);(301.103835,0.00011056);(310.831699,0.00011571);(311.128884,0.00023011);(313.109931,0.00009328);(313.144573,0.02748236);(314.147814,0.00480486);(314.710092,0.00006816);(316.818428,0.0000995);(319.177675,0.00008898);(319.680318,0.00007859);(329.227632,0.00007976);(336.235616,0.00010878);(342.11081,0.10498577);(342.76812,0.00007151);(343.114164,0.01943477);(344.116888,0.00037994);(345.021385,0.00007938);(348.406522,0.00010113);(357.134395,0.09319731);(358.137943,0.01967459);(359.140519,0.00020308)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.617374,0.0002838);(50.787775,0.0002803);(51.345795,0.000293);(51.371426,0.00045627);(51.738323,0.00023545);(52.032467,0.00026049);(52.545239,0.00033877);(52.572688,0.00026689);(52.732613,0.00024992);(52.741311,0.00022965);(53.469734,0.00023102);(53.516532,0.00024206);(53.844102,0.0003121);(53.997167,0.00022788);(54.180177,0.00021698);(54.208735,0.00034653);(54.444245,0.00035878);(54.5772,0.00022311);(54.586233,0.00024843);(54.889315,0.00024411);(55.016282,0.00032585);(55.017552,0.04323197);(55.127873,0.0002885);(55.567321,0.00027103);(55.673915,0.00026096);(55.803546,0.00042297);(55.878508,0.00035398);(56.219789,0.00023679);(56.347434,0.00023693);(56.459244,0.00025946);(58.093323,0.00032092);(58.184464,0.00024424);(58.511386,0.00027546);(58.688603,0.00024006);(58.841895,0.0005395);(59.012521,0.00074393);(59.471418,0.00026072);(61.605993,0.00035188);(62.158224,0.00028454);(62.185808,0.00027516);(62.440901,0.00023034);(62.754434,0.00029535);(64.848932,0.00037515);(64.924815,0.00049551);(66.356875,0.00032034);(66.832328,0.00024016);(67.536146,0.00022494);(67.677359,0.00027854);(68.710075,0.00030719);(69.012331,0.00028);(69.378432,0.00028435);(69.516128,0.00028642);(70.437008,0.0002509);(71.012406,0.00032761);(71.376034,0.00034729);(71.416231,0.00027468);(72.05142,0.00025289);(75.839301,0.00025936);(75.852762,0.0003024);(76.201921,0.00028748);(76.552677,0.000308);(76.943868,0.0003398);(77.319734,0.00023828);(77.997982,0.00024505);(78.018958,0.00033787);(78.734995,0.00027871);(79.732897,0.00034301);(79.947908,0.00029276);(80.163841,0.00028171);(80.482996,0.00027107);(80.632668,0.00042442);(81.486584,0.00043195);(82.006917,0.00023165);(82.954028,0.0003127);(82.998023,0.00256355);(83.012498,1.0);(83.025747,0.00114579);(83.062809,0.00034091);(83.631901,0.00029961);(84.015855,0.04101585);(84.020205,0.00034512);(84.254267,0.0003291);(85.016338,0.00024039);(85.463303,0.00027362);(85.591159,0.00028536);(85.827638,0.00038607);(89.688119,0.00027169);(90.105295,0.00031292);(90.255578,0.0002567);(90.540274,0.00025199);(90.778682,0.00035795);(91.504362,0.00025436);(92.131037,0.00026027);(92.627985,0.00025394);(93.402394,0.00025507);(93.843527,0.00025169);(94.554861,0.00026401);(94.847375,0.00026008);(95.048897,0.00025231);(95.247797,0.00022214);(96.973679,0.000276);(96.980898,0.00026108);(98.312707,0.00025992);(99.587352,0.00030726);(99.666959,0.00029702);(99.825776,0.00025175);(100.428706,0.00035712);(101.093574,0.00026324);(101.248058,0.0003282);(101.756165,0.00033315);(105.077766,0.0002557);(105.795137,0.00026395);(106.050238,0.00028433);(107.095171,0.00029403);(107.296456,0.00036597);(107.479182,0.00028418);(107.676412,0.00032646);(107.709953,0.0002867);(107.745667,0.00035535);(107.793905,0.00029145);(109.028208,0.0016798);(109.047345,0.00033104);(109.196899,0.00029264);(110.430409,0.0003182);(113.251005,0.00025626);(113.781657,0.00026048);(114.955152,0.00029203);(118.472738,0.00028569);(120.120801,0.00026535);(121.028333,0.09722425);(121.688889,0.00025575);(122.036131,0.26267383);(122.882335,0.0003315);(123.007597,0.00026078);(123.039489,0.01388452);(123.044032,0.06817415);(123.530623,0.0003082);(123.70056,0.00024903);(123.872247,0.00030973);(124.015935,0.00102491);(124.047491,0.00144571);(129.876954,0.00027821);(130.912765,0.00030042);(131.546127,0.00034185);(133.428594,0.00025631);(135.044092,0.00110196);(135.13008,0.00047533);(136.015791,0.00065246);(136.051841,0.07834584);(137.02342,0.00270706);(137.054387,0.0038072);(137.059723,0.14124704);(137.069201,0.00029069);(138.06316,0.00832932);(138.898619,0.00028073);(141.239106,0.00034046);(143.11135,0.00026083);(144.688906,0.00029031);(144.839239,0.00038598);(146.036362,0.00146577);(147.044018,0.05685445);(147.707743,0.00044126);(148.047967,0.00035542);(148.943074,0.00025846);(149.06041,0.00029883);(151.038826,0.00026989);(151.381224,0.00038453);(152.099706,0.00025395);(153.817295,0.00026648);(154.903523,0.00037615);(155.994312,0.00027014);(156.605718,0.00023816);(160.052156,0.00438853);(161.023553,0.0003417);(161.059851,0.03604821);(162.067791,0.03535541);(162.313919,0.00030442);(162.401977,0.00039402);(162.819375,0.00031415);(163.364592,0.00044091);(167.021124,0.0002503);(168.04207,0.00037421);(170.615226,0.00026689);(171.975022,0.00030936);(172.813376,0.00042768);(173.544301,0.00028161);(174.980582,0.0003353);(175.039694,0.00065134);(175.075985,0.00186982);(176.046934,0.00026315);(177.451792,0.00027826);(179.022323,0.00030464);(179.547864,0.00039769);(182.941319,0.00027163);(185.037986,0.00039336);(185.718786,0.00044925);(186.811129,0.00027208);(187.147637,0.00026137);(188.165014,0.00029718);(190.096878,0.00031726);(191.070765,0.0019197);(195.446504,0.00029647);(198.192575,0.00030097);(203.785994,0.00028817);(204.042718,0.00059887);(204.506806,0.00029375);(205.049703,0.00142849);(205.469337,0.00029172);(206.058264,0.00253295);(206.811687,0.00025578);(209.081436,0.00948052);(210.27028,0.00029733);(211.452271,0.00031465);(214.721185,0.01386457);(221.081508,0.00810778);(222.817271,0.00024877);(224.669888,0.00024241);(225.680459,0.00026375);(230.41012,0.00043095);(230.672623,0.0002844);(231.368817,0.00032778);(236.13275,0.00026915);(238.285763,0.00032377);(242.926641,0.00031594);(243.517261,0.00025676);(243.788802,0.00026804);(250.179451,0.0003033);(251.147242,0.00033659);(251.400721,0.00025845);(252.223245,0.00028819);(257.056662,0.00027886);(258.84778,0.00027977);(260.271006,0.00029516);(260.475576,0.00037272);(260.946156,0.00026316);(265.596708,0.00029765);(266.05534,0.00039482);(266.256511,0.00031185);(266.755862,0.0002418);(271.078686,0.00037492);(275.284474,0.00029643);(281.60493,0.00029877);(283.097966,0.0034788);(285.696174,0.00035214);(296.774491,0.00028257);(298.121864,0.00222197);(301.635734,0.00028412);(303.338499,0.00033403);(303.820096,0.0003371);(304.134421,0.00032342);(306.2982,0.00034797);(307.585036,0.00034812);(314.269587,0.00028819);(315.187569,0.00028753);(315.728317,0.00040161);(324.027616,0.00027582);(336.600494,0.00031665);(337.700881,0.00030665);(342.111444,0.01919214);(343.11574,0.00025533);(348.288859,0.00033511)
LC-MS/MSLC-ESI-QFTNegativehighView Spectrum(50.282648,0.00039576);(50.501981,0.00054785);(50.662281,0.00042697);(51.0057,0.0003835);(51.074852,0.00035221);(51.303128,0.00055221);(51.349064,0.00047363);(52.203859,0.00066882);(52.312868,0.00059955);(52.320445,0.00057317);(52.47142,0.00059262);(52.837244,0.00047193);(53.559872,0.00056432);(53.889524,0.00034461);(53.960949,0.00061188);(54.298789,0.00039334);(54.314027,0.00054374);(54.516599,0.00036156);(54.607267,0.00053567);(55.017564,0.16248382);(55.337085,0.00045564);(55.613457,0.00047643);(56.021115,0.00056774);(56.243086,0.00041976);(56.617821,0.00045497);(57.105947,0.00057518);(57.33141,0.00058814);(59.012612,0.00044962);(59.214167,0.00036523);(59.401554,0.00046533);(59.607531,0.00062034);(59.769517,0.00041657);(61.129974,0.0003791);(61.29011,0.00056976);(61.640224,0.00038354);(62.408864,0.00035833);(62.669081,0.00042134);(63.723748,0.00057009);(63.806746,0.00043526);(63.83761,0.00044029);(64.517798,0.00059151);(65.370554,0.0004284);(65.776859,0.00042642);(66.540412,0.00044018);(66.819342,0.00057864);(67.245121,0.00050733);(68.612677,0.0003431);(68.640704,0.00048961);(68.847677,0.00046099);(68.916391,0.00047752);(69.080108,0.00073677);(69.970852,0.00050737);(71.012524,0.00477136);(71.571116,0.00040093);(71.955288,0.00037294);(73.325335,0.00038967);(74.121954,0.00037953);(74.845333,0.00050817);(75.51168,0.00041886);(76.035361,0.0004161);(76.837118,0.00064237);(77.458581,0.00038611);(78.248563,0.00049189);(78.741496,0.00056365);(79.320107,0.00037843);(79.638127,0.0005334);(80.081807,0.0003796);(80.337103,0.00035132);(80.724781,0.00040106);(82.998904,0.00354343);(83.0125,1.0);(84.015846,0.03463342);(84.020425,0.00120418);(84.317387,0.00054009);(85.228259,0.00040055);(85.483219,0.00052768);(85.854879,0.00039293);(86.049815,0.00040344);(86.400314,0.00040534);(88.662196,0.00044452);(88.705466,0.00040162);(88.876272,0.00036631);(89.577357,0.00036975);(89.782464,0.00034723);(89.842654,0.00040736);(90.08685,0.00045928);(91.126433,0.00042712);(91.163495,0.00044022);(91.218523,0.00046191);(92.310162,0.00042642);(93.03326,0.03836846);(93.500866,0.00043206);(93.674919,0.00034668);(93.736804,0.00054043);(94.03635,0.0006104);(94.66952,0.00049308);(94.724894,0.00046887);(94.92984,0.00037455);(95.049024,0.00043377);(95.35286,0.00059888);(95.382506,0.00053071);(95.489329,0.00044844);(95.592066,0.00039536);(96.195571,0.0004349);(96.73175,0.00037173);(97.201238,0.00050601);(99.044844,0.00046464);(100.039749,0.00048569);(100.168683,0.00044768);(100.397667,0.00054271);(100.894503,0.00068238);(101.454543,0.00035832);(101.655734,0.00052151);(102.710427,0.00053324);(103.985184,0.00047083);(104.482802,0.00037763);(104.855418,0.00047522);(107.750228,0.00041313);(108.02083,0.00071275);(108.036279,0.00058532);(108.329384,0.00064195);(109.004879,0.00062714);(109.028364,0.00264847);(109.503183,0.0005558);(110.940704,0.00042108);(112.669621,0.00056388);(115.719774,0.00063764);(116.290613,0.00065988);(119.382863,0.00041049);(119.730173,0.00039733);(120.441614,0.00037279);(120.479888,0.00046959);(121.028297,0.22876368);(122.032143,0.0112759);(122.036136,0.46100474);(122.654527,0.00058769);(123.039418,0.02862459);(123.044087,0.04515966);(123.387842,0.00048568);(126.878227,0.00050313);(128.308424,0.00073886);(128.736563,0.00046434);(133.21409,0.00047726);(133.762711,0.00036896);(134.036209,0.00065074);(134.453007,0.00047307);(135.043973,0.00346356);(136.051866,0.02940389);(136.463325,0.00047789);(137.023226,0.00211106);(137.059653,0.02154135);(143.048877,0.00067277);(146.036269,0.00391178);(147.044058,0.06128125);(147.202894,0.00060418);(147.52179,0.00045356);(148.047078,0.00055029);(149.179498,0.0005943);(155.095192,0.00044264);(157.504786,0.0006009);(157.706784,0.00065426);(157.873909,0.00039963);(158.700468,0.00043922);(159.044273,0.00966727);(159.062168,0.00045132);(160.052176,0.00190937);(161.023041,0.00198797);(161.059812,0.05413183);(161.538215,0.00049375);(162.067946,0.01071969);(162.343589,0.00039575);(164.056918,0.00053867);(165.076282,0.000429);(166.641393,0.00043287);(168.62042,0.00041828);(171.116403,0.00056013);(173.726712,0.00066449);(174.66633,0.00045203);(176.040778,0.00046166);(176.398717,0.00058042);(176.414892,0.00041889);(184.229411,0.00045755);(184.642998,0.00063799);(185.677912,0.00053493);(185.72885,0.00052512);(191.750015,0.00037635);(192.282878,0.00051373);(198.827497,0.0006007);(199.482207,0.00048922);(206.606938,0.00061092);(207.930618,0.00043782);(209.752022,0.00049446);(212.044693,0.00039314);(217.611127,0.00051572);(220.361045,0.00429014);(231.864394,0.00051607);(232.46277,0.00044623);(236.465405,0.00047094);(237.476454,0.00044987);(246.626495,0.00051416);(247.684665,0.00044688);(250.190074,0.00047509);(250.686366,0.00051034);(267.558243,0.00060371);(274.067316,0.00048895);(276.258502,0.00047646);(277.601659,0.00053537);(284.291517,0.00049166);(285.040691,0.00045665);(286.27961,0.00058846);(292.340075,0.00041445);(299.517012,0.00044273);(300.960727,0.00046503);(309.474759,0.00044713);(311.55379,0.00043387);(323.370315,0.00051116);(323.751852,0.00042989);(355.06468,0.00060837)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.054,0.012);(122.037,0.035);(131.05,0.062);(132.051,0.012);(137.059,1.0);(138.062,0.083);(138.071,0.013);(145.063,0.017);(147.041,0.011);(149.059,0.012);(151.044,0.01);(163.073,0.086);(163.084,0.013);(164.082,0.011);(165.053,0.013);(175.076,0.01);(177.052,0.014);(191.074,0.016);(203.082,0.017);(203.094,0.01);(221.081,0.013);(223.097,0.034);(231.078,0.056);(259.074,0.017);(263.1,0.016);(263.11,0.018);(264.108,0.01);(291.102,0.08);(292.109,0.02);(305.112,0.026);(305.139,0.011);(306.122,0.011);(323.13,0.084);(324.135,0.016);(341.14,0.276);(342.127,0.01);(342.146,0.067);(358.142,0.042);(359.152,0.288)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.059,0.202);(138.064,0.014);(163.073,0.017);(223.096,0.048);(291.1,0.013);(305.115,0.015);(309.11,0.012);(323.13,0.11);(324.126,0.022);(341.139,0.679);(342.144,0.158);(343.147,0.037);(358.142,0.067);(359.149,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(103.054,0.014);(122.037,0.021);(131.048,0.133);(132.05,0.02);(137.039,0.01);(137.059,1.0);(138.054,0.018);(138.063,0.102);(147.042,0.012);(149.057,0.018);(151.074,0.015);(163.077,0.02);(165.054,0.013);(177.053,0.012);(178.057,0.01);(203.076,0.017);(203.089,0.012);(231.083,0.045);(232.08,0.013);(232.09,0.01);(249.084,0.016);(259.076,0.02);(260.09,0.01);(263.107,0.031);(291.105,0.027);(292.112,0.018)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(66.044,0.016);(79.056,0.023);(81.067,0.012);(91.055,0.034);(94.039,0.214);(102.045,0.01);(103.055,0.206);(104.062,0.018);(115.055,0.018);(117.034,0.012);(117.066,0.011);(117.071,0.017);(122.036,0.512);(123.042,0.031);(129.067,0.028);(131.05,0.069);(132.053,0.019);(132.063,0.015);(133.066,0.011);(135.042,0.012);(137.059,1.0);(138.063,0.118);(147.04,0.015);(149.057,0.021);(152.659,0.01);(160.054,0.024);(165.308,0.012);(167.552,0.01);(178.087,0.01);(181.068,0.015);(189.05,0.011);(189.091,0.01);(191.084,0.015);(202.071,0.012);(202.083,0.046);(202.092,0.011);(203.079,0.029);(203.091,0.047);(205.07,0.015);(219.08,0.03);(221.092,0.012);(231.064,0.014);(231.081,0.033);(232.021,0.011);(247.09,0.012);(248.079,0.024)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.058,0.015);(122.036,0.053);(131.04,0.011);(131.049,0.081);(137.059,1.0);(138.058,0.035);(138.064,0.098);(149.06,0.017);(151.073,0.02);(163.076,0.069);(165.047,0.013);(165.053,0.026);(175.07,0.017);(179.068,0.015);(203.088,0.031);(205.086,0.013);(223.093,0.025);(223.102,0.022);(231.077,0.031);(232.087,0.023);(259.08,0.02);(263.105,0.063);(274.095,0.014);(291.1,0.084);(305.107,0.013);(305.122,0.03);(323.128,0.132);(324.135,0.018);(341.136,0.33);(342.127,0.017);(342.145,0.057);(343.142,0.016);(358.137,0.033);(359.146,0.286);(359.161,0.06)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.057,0.197);(138.068,0.014);(163.076,0.023);(221.075,0.014);(223.097,0.04);(235.1,0.011);(291.102,0.043);(305.113,0.013);(305.124,0.01);(323.13,0.117);(324.128,0.011);(341.138,0.674);(342.141,0.174);(343.146,0.026);(358.125,0.017);(358.145,0.071);(359.149,1.0)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(77.037,0.016);(77.994,0.01);(79.054,0.033);(91.051,0.029);(91.056,0.027);(92.058,0.012);(94.04,0.234);(95.044,0.01);(103.043,0.014);(103.054,0.166);(104.058,0.016);(108.021,0.011);(108.056,0.019);(109.064,0.024);(115.052,0.025);(117.031,0.013);(117.044,0.015);(117.068,0.021);(119.048,0.018);(122.036,0.449);(123.037,0.022);(124.04,0.019);(127.055,0.017);(128.059,0.041);(128.068,0.01);(130.04,0.012);(131.044,0.044);(131.052,0.044);(132.055,0.02);(137.058,1.0);(138.061,0.039);(138.066,0.017);(139.062,0.012);(145.057,0.016);(146.036,0.01);(147.042,0.018);(149.058,0.017);(157.065,0.013);(160.057,0.031);(165.072,0.012);(189.067,0.02);(190.075,0.015);(191.079,0.012);(193.1,0.017);(201.077,0.012);(202.072,0.071);(203.084,0.033);(204.083,0.02);(204.092,0.02);(205.065,0.018);(219.067,0.012);(220.086,0.012);(230.062,0.011);(231.078,0.037);(247.081,0.017);(248.083,0.016)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(122.037,0.036);(131.043,0.022);(131.052,0.077);(132.057,0.01);(137.034,0.011);(137.06,1.0);(138.057,0.02);(138.064,0.079);(139.064,0.019);(149.056,0.01);(163.075,0.074);(165.055,0.015);(175.076,0.016);(177.049,0.01);(179.07,0.028);(189.091,0.012);(203.082,0.021);(217.083,0.013);(223.088,0.02);(223.1,0.043);(231.092,0.015);(248.08,0.015);(259.069,0.013);(260.083,0.012);(263.107,0.025);(263.117,0.022);(291.096,0.043);(291.107,0.054);(292.102,0.021);(305.114,0.041);(323.127,0.088);(324.13,0.014);(325.137,0.015);(341.139,0.309);(342.145,0.09);(358.155,0.012);(359.143,0.111);(359.153,0.235)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.059,0.177);(138.064,0.019);(163.076,0.012);(223.097,0.056);(224.097,0.013);(235.095,0.013);(291.104,0.018);(305.121,0.014);(309.11,0.021);(323.126,0.113);(324.137,0.016);(341.139,0.665);(342.12,0.013);(342.143,0.174);(343.135,0.01);(343.148,0.017);(358.143,0.083);(359.116,0.011);(359.149,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(103.054,0.022);(122.037,0.024);(131.049,0.116);(137.059,1.0);(138.063,0.104);(139.065,0.011);(145.059,0.011);(147.044,0.01);(149.058,0.014);(151.075,0.022);(157.066,0.018);(161.056,0.011);(163.067,0.012);(163.079,0.014);(175.08,0.017);(177.056,0.015);(189.092,0.011);(203.085,0.029);(231.071,0.012);(231.088,0.034);(248.078,0.01);(263.106,0.037);(274.102,0.01);(291.099,0.044)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(66.049,0.017);(77.04,0.016);(91.048,0.011);(91.054,0.018);(94.042,0.24);(95.043,0.011);(95.049,0.012);(103.052,0.053);(103.058,0.039);(104.059,0.014);(107.051,0.011);(122.036,0.557);(123.04,0.027);(127.057,0.013);(128.06,0.011);(129.066,0.025);(129.073,0.012);(131.042,0.032);(131.05,0.059);(132.051,0.014);(134.038,0.018);(135.044,0.019);(137.039,0.021);(137.059,1.0);(138.063,0.075);(139.053,0.017);(139.063,0.01);(145.058,0.012);(146.028,0.018);(149.059,0.011);(160.05,0.044);(161.054,0.012);(161.063,0.01);(189.069,0.011);(191.078,0.013);(201.066,0.019);(202.064,0.01);(202.074,0.032);(202.083,0.029);(203.084,0.032);(219.081,0.052);(220.088,0.012);(231.078,0.029);(247.078,0.014);(248.083,0.01)
LC-MS/MSLC-ESI-QPositivelowView Spectrum(137.059,1.0);(341.139,0.283);(359.149,0.941)
LC-MS/MSLC-ESI-QPositivelowView Spectrum(137.06,0.265);(151.039,0.016);(163.075,0.025);(191.07,0.025);(203.07,0.022);(205.086,0.024);(221.081,0.037);(223.096,0.232);(235.097,0.097);(291.102,0.026);(305.117,0.022);(309.112,0.012);(323.128,0.087);(341.138,0.818);(359.149,1.0)
LC-MS/MSLC-ESI-QPositivemediumView Spectrum(131.049,0.032);(137.06,1.0);(151.039,0.021);(163.075,0.054);(205.086,0.015);(223.096,0.08);(235.096,0.019);(341.138,0.025);(359.148,0.03)
LC-MS/MSLC-ESI-QPositivemediumView Spectrum(122.036,0.014);(131.049,0.01);(137.06,0.337);(151.039,0.023);(163.075,0.043);(191.07,0.037);(203.07,0.03);(205.086,0.043);(217.086,0.012);(221.081,0.043);(223.096,0.306);(235.096,0.117);(291.101,0.043);(295.133,0.01);(305.117,0.041);(309.112,0.019);(323.128,0.141);(341.138,1.0)
LC-MS/MSLC-ESI-QPositivemediumView Spectrum(131.049,0.075);(137.06,1.0);(151.039,0.027);(163.075,0.079);(205.085,0.014);(217.085,0.029);(223.097,0.031);(291.1,0.011)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(103.054,0.023);(131.049,0.143);(137.06,1.0);(151.039,0.015);(163.075,0.046);(177.091,0.012);(189.091,0.01);(205.086,0.014);(217.086,0.016)
LC-MS/MSLC-ESI-QPositivemediumView Spectrum(122.036,0.014);(131.049,0.01);(137.06,0.356);(151.039,0.025);(163.075,0.04);(191.07,0.041);(203.07,0.032);(205.086,0.045);(217.086,0.013);(221.081,0.038);(223.096,0.293);(235.096,0.117);(291.102,0.049);(295.133,0.01);(305.117,0.043);(309.112,0.018);(323.128,0.153);(341.138,1.0)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(103.054,0.037);(122.036,0.012);(131.049,0.127);(137.06,1.0);(151.039,0.011);(157.065,0.01);(163.075,0.018);(177.091,0.01)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(122.036,0.014);(131.049,0.01);(137.06,0.332);(151.039,0.02);(163.076,0.04);(191.07,0.036);(203.07,0.03);(205.086,0.047);(217.086,0.012);(221.081,0.03);(223.097,0.275);(235.097,0.097);(291.102,0.047);(305.118,0.04);(309.112,0.022);(323.128,0.149);(341.139,1.0)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(91.054,0.01);(94.041,0.019);(103.054,0.075);(122.036,0.055);(129.07,0.011);(131.049,0.092);(137.06,1.0);(145.065,0.015);(157.065,0.011)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(122.036,0.014);(131.049,0.014);(137.06,0.381);(151.039,0.027);(163.076,0.048);(177.091,0.01);(191.07,0.042);(203.07,0.034);(205.086,0.06);(217.086,0.015);(221.081,0.037);(223.096,0.297);(235.096,0.114);(291.102,0.064);(295.133,0.013);(305.117,0.052);(309.112,0.025);(323.128,0.178);(341.138,1.0)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(77.039,0.01);(79.054,0.013);(81.07,0.01);(91.054,0.032);(94.041,0.143);(103.054,0.211);(107.049,0.017);(117.07,0.014);(122.036,0.24);(129.07,0.021);(131.049,0.106);(137.06,1.0);(145.065,0.015);(151.039,0.01);(157.065,0.01)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(122.036,0.015);(131.049,0.013);(137.06,0.376);(151.039,0.026);(163.076,0.049);(177.091,0.01);(191.07,0.043);(203.07,0.033);(205.086,0.062);(217.086,0.017);(221.081,0.033);(223.096,0.291);(235.096,0.1);(291.102,0.075);(295.133,0.015);(305.117,0.063);(309.112,0.025);(323.128,0.183);(341.138,1.0)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(122.036,0.016);(131.049,0.016);(137.06,0.372);(151.039,0.03);(163.075,0.053);(177.091,0.01);(191.07,0.043);(203.07,0.037);(205.086,0.063);(217.086,0.016);(221.081,0.03);(223.096,0.296);(235.096,0.106);(291.102,0.07);(295.132,0.015);(305.117,0.057);(309.112,0.027);(323.128,0.19);(341.138,1.0)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(65.038,0.017);(66.046,0.089);(77.038,0.11);(79.054,0.048);(81.07,0.028);(91.054,0.116);(94.041,1.0);(95.05,0.013);(103.054,0.631);(105.034,0.023);(107.049,0.024);(115.054,0.03);(117.07,0.026);(118.042,0.012);(122.036,0.73);(128.062,0.055);(129.07,0.033);(131.049,0.09);(137.06,0.923);(145.065,0.025);(149.06,0.012);(202.078,0.018)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(65.039,0.034);(66.046,0.19);(77.039,0.13);(79.054,0.026);(91.054,0.065);(94.041,1.0);(95.049,0.018);(102.046,0.01);(103.054,0.277);(107.049,0.014);(115.054,0.028);(117.07,0.016);(122.036,0.328);(128.062,0.037);(131.049,0.028);(137.06,0.159);(202.078,0.016)
LC-MS/MSLC-ESI-QPositivehighView Spectrum(122.036,0.02);(131.049,0.018);(137.06,0.454);(151.039,0.029);(163.075,0.062);(177.091,0.015);(179.07,0.01);(191.07,0.045);(203.07,0.04);(205.086,0.07);(217.086,0.022);(221.081,0.027);(223.096,0.288);(235.096,0.095);(291.102,0.098);(295.133,0.014);(305.117,0.083);(309.112,0.032);(323.128,0.226);(341.138,1.0)

Food Sources

NameGroup
CapersHerbs and Spices PublicationsShow
FlaxseedOilseed crops PublicationsShow
RyeCereals and cereal products PublicationsShow
Rye breadCereals and cereal products PublicationsShow
SesameOilseed crops PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(+)-Matairesinol (+)-MatairesinolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC20H22O6358.141638428 Detailed Intervention Studies
Secoisolariciresinol diglucoside (+)-MatairesinolNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC20H22O6358.141638428 Detailed Intervention Studies

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back