precursor

Showing entry for Soyasaponin I

Identification

PhytoHub ID
PHUB000187
Name
Soyasaponin I
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
943.134
Monoisotopic Mass
942.518815672
Chemical Formula
C48H78O18
IUPAC Name
(2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
InChI Key
PTDAHAWQAGSZDD-IOVCITQVSA-N
InChI Identifier
InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
SMILES
[H][C@@]1(O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@]2([H])O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@]2([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]43C)[C@@]2(C)CO)C(O)=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.25e-01 g/l
LogS (ALOGPS)
-3.62
LogP (ALOGPS)
2.17
Hydrogen Acceptors
18
Hydrogen Donors
11
Rotatable Bond Count
9
Polar Surface Area
294.98
Refractivity
230.7611
Polarizability
101.34270105832356
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6486744308927874
pKa (strongest acidic)
3.317895772495015
Number of Rings
8
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Triterpenoids
Sub-class
Saponins

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(85.0288,0.24124124);(95.0859,0.07907908);(109.1015,0.11311311);(111.0446,0.07407407);(129.0549,0.23423423);(141.0186,0.28728729);(147.0657,0.24224224);(149.1329,0.07307307);(159.0292,0.14314314);(163.0606,0.14214214);(163.1487,0.07807808);(177.1646,0.12712713);(189.1647,0.12712713);(191.1801,0.08708709);(201.1644,0.09409409);(203.1802,0.27927928);(207.1755,0.11111111);(215.1802,0.09409409);(217.196,0.21521522);(219.1754,0.11211211);(221.1909,0.12712713);(233.191,0.11511512);(247.2068,0.13913914);(405.3527,0.15715716);(423.3634,1.0);(424.3667,0.32732733);(441.3742,0.65665666);(442.3782,0.23523524)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(71.0492,0.19219219);(85.0286,0.74974975);(95.0858,0.33833834);(109.1014,0.39439439);(129.0548,0.5035035);(135.1172,0.21921922);(141.0184,0.87187187);(147.0655,0.2982983);(149.1331,0.26026026);(159.029,0.28628629);(161.1328,0.23923924);(163.1484,0.28128128);(175.1485,0.24024024);(177.164,0.34334334);(189.1644,0.31831832);(201.1642,0.27727728);(203.1801,0.76376376);(217.1958,0.45245245);(423.3632,1.0)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(59.013,0.21221221);(71.0129,0.0980981);(73.0286,0.04504505);(75.0078,0.07307307);(83.0129,0.04104104);(85.0285,0.31331331);(87.0078,0.12112112);(87.0442,0.04604605);(89.0234,0.28228228);(95.0128,0.12112112);(99.0077,0.31431431);(101.0233,0.37037037);(103.0389,0.22422422);(112.0154,0.04904905);(113.0233,0.52552553);(115.0389,0.30830831);(119.0338,0.22422422);(131.0337,0.29429429);(139.0023,0.07807808);(143.0336,0.46146146);(145.0493,0.09109109);(157.0128,0.09209209);(161.0441,0.13513514);(163.0597,0.22522523);(205.0701,0.44344344);(409.3453,0.10810811);(437.3399,0.1961962);(457.3661,0.28828829);(615.3872,0.23523524);(941.5072,1.0)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(129.0549,0.08308308);(141.0185,0.06806807);(147.0655,0.13713714);(159.0291,0.05905906);(163.0605,0.08408408);(203.18,0.08808809);(217.1958,0.07007007);(423.3629,0.79379379);(424.3661,0.24224224);(441.3737,1.0);(442.3772,0.30830831);(599.3942,0.16216216)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(55.018,0.05805806);(57.0336,0.05705706);(59.0129,1.0);(71.0127,0.42642643);(73.0284,0.22022022);(75.0077,0.22722723);(83.0127,0.12312312);(85.0283,0.67367367);(85.9998,0.06606607);(87.0075,0.38438438);(87.0439,0.14614615);(89.0231,0.33133133);(95.0126,0.25725726);(99.0074,0.62562563);(101.023,0.44044044);(103.0387,0.18218218);(112.0152,0.06706707);(113.023,0.63763764);(115.0386,0.48248248);(119.0335,0.09009009);(131.0334,0.33933934);(143.0334,0.3033033);(145.049,0.11411411);(437.3393,0.26926927)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.03062,0.01601602);(107.08714,0.00700701);(109.09988,0.00600601);(109.10477,0.00800801);(111.04739,0.00900901);(127.03929,0.00600601);(129.05499,0.05005005);(141.01674,0.02602603);(145.04854,0.01101101);(147.06467,0.07807808);(159.02414,0.01201201);(159.03055,0.04104104);(159.06087,0.00500501);(161.13187,0.00900901);(163.0587,0.05905906);(163.14822,0.01701702);(165.05894,0.00600601);(175.14601,0.00800801);(175.1539,0.01601602);(177.03902,0.03503504);(177.05074,0.00900901);(177.16321,0.02402402);(187.14413,0.01001001);(189.1635,0.02402402);(190.17062,0.00900901);(191.17982,0.01301301);(193.1532,0.00600601);(195.16637,0.00800801);(195.17473,0.02202202);(195.18446,0.00700701);(201.16589,0.01701702);(203.1628,0.00700701);(203.1803,0.07907908);(204.18497,0.01201201);(205.15944,0.01901902);(207.17346,0.02702703);(209.05338,0.00500501);(213.16772,0.00500501);(215.17636,0.01501502);(217.16321,0.00500501);(217.19775,0.05705706);(218.19633,0.01401401);(219.17615,0.01501502);(219.2139,0.00500501);(221.18202,0.00700701);(221.19257,0.02302302);(222.18779,0.00600601);(227.16975,0.00500501);(227.17863,0.00500501);(229.20291,0.01601602);(231.0797,0.00600601);(233.18829,0.02002002);(235.19774,0.00500501);(245.18924,0.01901902);(246.19017,0.00600601);(247.20509,0.02002002);(247.21837,0.00700701);(255.08102,0.00600601);(261.21924,0.01101101);(269.06387,0.00500501);(273.08881,0.00800801);(273.10007,0.00900901);(273.22,0.01001001);(287.07605,0.00900901);(295.24408,0.00700701);(303.07077,0.00800801);(305.05478,0.00600601);(305.0809,0.02402402);(305.0929,0.02902903);(306.08606,0.00600601);(309.11368,0.03403403);(309.1264,0.02002002);(310.11829,0.00600601);(311.27319,0.00800801);(313.2518,0.00600601);(315.26282,0.00900901);(315.27563,0.01301301);(316.27832,0.00700701);(321.08231,0.02302302);(323.09497,0.04204204);(324.10339,0.00600601);(324.49716,0.00500501);(339.09384,0.01101101);(339.1041,0.01401401);(340.09787,0.00700701);(351.17047,0.00600601);(351.19089,0.00500501);(365.19858,0.00800801);(365.31226,0.01001001);(366.18924,0.00600601);(366.31989,0.00600601);(381.32047,0.00600601);(383.33072,0.01301301);(383.34137,0.02902903);(384.33221,0.02102102);(393.35303,0.00700701);(405.3519,0.09309309);(406.35193,0.01801802);(408.3569,0.00600601);(411.35587,0.00600601);(411.371,0.00900901);(423.36179,0.74774775);(424.35739,0.10910911);(424.37119,0.16316316);(425.367,0.05905906);(441.37161,1.0);(442.37579,0.39339339);(443.37436,0.04004004);(443.39291,0.01601602);(451.35983,0.00600601);(459.38895,0.01201201);(459.40994,0.00500501);(460.39365,0.00500501);(551.41559,0.00600601);(569.42529,0.00800801);(581.33813,0.00900901);(581.3822,0.06306306);(581.4068,0.02602603);(582.38129,0.02702703);(583.38611,0.01101101);(599.39655,0.4014014);(600.39844,0.12712713);(600.43463,0.00700701);(601.39758,0.02202202);(605.46381,0.00800801);(606.45312,0.01101101);(617.39691,0.03303303);(617.4173,0.04204204);(618.40125,0.01701702);(635.41064,0.00900901);(636.42297,0.01101101);(797.42163,0.00900901);(797.4646,0.04504505);(798.45978,0.02002002)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.05406,0.01101101);(141.01628,0.00900901);(147.06479,0.01501502);(159.02748,0.00900901);(163.0567,0.00600601);(163.06294,0.00600601);(177.03944,0.00700701);(177.16289,0.00800801);(189.1615,0.00700701);(191.17868,0.00800801);(201.16179,0.00800801);(203.17709,0.01901902);(205.15837,0.00700701);(207.17589,0.01101101);(217.19354,0.02502503);(219.17467,0.01201201);(221.18837,0.00600601);(233.19235,0.01001001);(247.20215,0.00700701);(247.21672,0.00600601);(273.09601,0.00600601);(305.09012,0.01101101);(309.11713,0.01501502);(315.26221,0.00800801);(323.09662,0.01301301);(339.09338,0.00500501);(365.3125,0.00500501);(383.33511,0.01401401);(405.35709,0.02802803);(406.3569,0.00600601);(423.36295,0.17317317);(424.36298,0.06306306);(441.37381,0.22722723);(442.37567,0.08508509);(443.37915,0.01601602);(459.38477,0.00800801);(581.37866,0.01101101);(581.39545,0.00900901);(599.3927,0.10610611);(600.39746,0.02902903);(605.44025,0.02002002);(617.40625,0.07007007);(618.40088,0.01301301);(618.42255,0.00600601);(635.41119,0.02802803);(636.40887,0.00900901);(636.42657,0.00800801);(781.46643,0.01501502);(782.47668,0.00500501);(797.4682,0.08108108);(798.47101,0.04304304);(799.46509,0.01101101);(943.41559,0.00500501);(943.5246,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.05305,0.01401401);(141.01906,0.01001001);(147.06248,0.01301301);(149.13109,0.00800801);(159.02116,0.00500501);(159.02943,0.00600601);(163.06165,0.03403403);(163.14682,0.00800801);(175.14981,0.01601602);(177.03703,0.01201201);(177.16354,0.00900901);(189.16374,0.01101101);(189.17004,0.00500501);(195.17856,0.00800801);(201.16348,0.00700701);(203.17099,0.00600601);(203.18155,0.01801802);(203.19258,0.00500501);(205.15448,0.00700701);(205.17355,0.00500501);(207.17667,0.00900901);(215.17574,0.00700701);(215.18637,0.01201201);(217.19554,0.02902903);(218.19536,0.00800801);(219.16908,0.00600601);(221.18832,0.00900901);(233.18982,0.01001001);(235.20767,0.00500501);(243.1965,0.00500501);(245.18793,0.00600601);(245.23285,0.00600601);(247.21217,0.01201201);(261.22534,0.00700701);(273.09091,0.00700701);(287.07849,0.00700701);(305.08524,0.01901902);(305.09665,0.00700701);(309.11676,0.02002002);(313.25998,0.00800801);(323.09848,0.02402402);(323.11292,0.00700701);(339.09302,0.00500501);(339.10696,0.00600601);(365.319,0.01001001);(383.33359,0.01901902);(405.33713,0.01501502);(405.35547,0.02802803);(406.35788,0.01401401);(423.36234,0.28628629);(424.36819,0.07507508);(425.35861,0.01201201);(425.38251,0.01201201);(441.37131,0.34734735);(442.31119,0.00500501);(442.36517,0.04904905);(442.38074,0.08908909);(443.37097,0.02902903);(459.39087,0.01901902);(485.14456,0.00700701);(581.37537,0.01801802);(581.40369,0.01301301);(582.38599,0.00700701);(599.39532,0.16016016);(600.39349,0.06506507);(605.43414,0.03603604);(606.43286,0.00600601);(606.45447,0.01001001);(617.40619,0.08708709);(618.40594,0.04404404);(618.43866,0.00700701);(619.39709,0.00600601);(619.4201,0.00700701);(635.40131,0.02202202);(635.41901,0.05705706);(636.42242,0.01401401);(781.45667,0.01001001);(781.50409,0.01001001);(782.47278,0.01601602);(797.47034,0.12412412);(798.47528,0.04904905);(799.47394,0.00900901);(943.44141,0.00800801);(943.52411,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(56.34466,0.02702703);(57.0341,0.01101101);(61.02612,0.02102102);(71.04806,0.1021021);(73.02686,0.01301301);(81.06675,0.07307307);(81.07365,0.02002002);(82.0717,0.01001001);(85.00417,0.00900901);(85.02785,0.45545546);(87.04261,0.01201201);(91.03942,0.08908909);(91.05077,0.02002002);(93.06947,0.01001001);(93.07726,0.01001001);(95.01008,0.02002002);(95.08604,0.18518519);(96.08218,0.00900901);(96.10979,0.01001001);(97.02988,0.04504505);(97.06519,0.02202202);(97.09653,0.01001001);(99.07246,0.01101101);(99.08244,0.01101101);(101.05742,0.01401401);(103.03854,0.05505506);(105.07156,0.04704705);(106.94641,0.01101101);(107.08514,0.09309309);(107.12524,0.01001001);(107.32176,0.01101101);(109.06977,0.01001001);(109.10168,0.2972973);(109.11324,0.01201201);(110.10273,0.04604605);(110.34679,0.01701702);(111.04285,0.11611612);(111.04955,0.03803804);(111.07939,0.05405405);(111.11455,0.01001001);(112.04977,0.03003003);(112.08286,0.03403403);(113.06001,0.00900901);(113.09539,0.01001001);(117.05148,0.01501502);(119.08588,0.09409409);(121.09978,0.15715716);(122.0978,0.02002002);(123.08405,0.01701702);(123.11947,0.14914915);(124.11604,0.02502503);(124.12219,0.01701702);(125.09893,0.01201201);(127.02223,0.01201201);(127.03583,0.03003003);(127.04395,0.05105105);(127.11406,0.00900901);(129.05334,0.42042042);(130.05861,0.01801802);(130.62122,0.01001001);(131.0349,0.02002002);(131.06163,0.01101101);(132.51813,0.01101101);(132.63596,0.01101101);(133.09422,0.02802803);(133.10051,0.07807808);(133.10881,0.02102102);(134.10477,0.02302302);(135.10626,0.02102102);(135.11736,0.21821822);(136.11594,0.01201201);(136.12332,0.01101101);(137.0199,0.00900901);(137.09846,0.01901902);(137.1147,0.01301301);(137.13408,0.05405405);(137.14465,0.00900901);(138.1319,0.02702703);(139.11006,0.08808809);(139.13858,0.01101101);(140.11636,0.02202202);(141.01863,0.70770771);(141.12927,0.01501502);(142.00368,0.01001001);(142.01227,0.02002002);(142.02321,0.01701702);(142.02805,0.00900901);(145.05142,0.06006006);(145.09998,0.07607608);(145.6555,0.00900901);(146.10335,0.01001001);(147.06456,0.24324324);(147.10571,0.03203203);(147.11681,0.08408408);(148.07349,0.01901902);(149.13298,0.25425425);(150.01686,0.00900901);(150.13416,0.04004004);(151.03391,0.00900901);(151.11411,0.02002002);(151.15143,0.03103103);(153.13016,0.03203203);(159.02814,0.22422422);(159.09972,0.03803804);(159.10982,0.04804805);(159.11903,0.05205205);(160.10718,0.01001001);(160.1176,0.01001001);(160.90941,0.01001001);(161.13425,0.21621622);(161.16997,0.01101101);(162.13507,0.02002002);(162.14099,0.02802803);(163.03525,0.00900901);(163.05659,0.0970971);(163.06665,0.05305305);(163.10437,0.01901902);(163.14679,0.35335335);(163.93002,0.00900901);(164.15044,0.03703704);(164.37653,0.01001001);(165.06828,0.01301301);(165.12627,0.08908909);(165.85379,0.01501502);(166.12436,0.02302302);(166.13435,0.01301301);(166.15668,0.00900901);(167.13699,0.01201201);(171.06174,0.00900901);(171.11127,0.01101101);(171.4527,0.01101101);(172.28488,0.01201201);(173.03929,0.01001001);(173.06816,0.01101101);(173.12842,0.05305305);(173.13789,0.02202202);(175.11024,0.01201201);(175.13101,0.01601602);(175.14487,0.16016016);(175.15338,0.12912913);(175.34903,0.00900901);(176.14745,0.03203203);(176.15891,0.01101101);(177.03967,0.04104104);(177.05154,0.01001001);(177.12575,0.03003003);(177.16046,0.33233233);(177.16795,0.17317317);(178.04486,0.02002002);(178.16428,0.01401401);(178.70531,0.01301301);(179.02911,0.00900901);(179.12819,0.01901902);(179.14256,0.03403403);(179.17181,0.02102102);(179.17937,0.04204204);(179.94479,0.01001001);(180.15369,0.01001001);(180.17628,0.02202202);(180.18732,0.01001001);(181.15424,0.02202202);(181.16283,0.00900901);(185.12489,0.01701702);(185.13449,0.03303303);(186.13513,0.00900901);(187.12335,0.02602603);(187.14755,0.14114114);(187.30937,0.01301301);(188.14644,0.01801802);(189.05733,0.01401401);(189.14571,0.01001001);(189.16272,0.2982983);(190.05011,0.02002002);(190.14861,0.01101101);(190.16536,0.05505506);(191.03134,0.01201201);(191.13545,0.01201201);(191.14349,0.01001001);(191.16705,0.02902903);(191.18117,0.20620621);(192.15126,0.01101101);(192.1779,0.04404404);(192.18741,0.02202202);(193.14111,0.01001001);(193.15384,0.03803804);(194.1683,0.00900901);(195.05696,0.01001001);(195.17645,0.15515516);(196.06654,0.01001001);(196.17825,0.01001001);(197.12617,0.01301301);(199.15291,0.01001001);(200.1237,0.01001001);(200.1442,0.02202202);(200.16429,0.01001001);(200.28958,0.00900901);(201.16458,0.42642643);(202.15909,0.01101101);(202.16977,0.02602603);(203.06218,0.01301301);(203.13528,0.01501502);(203.17958,0.68768769);(203.20114,0.01101101);(204.17674,0.12412412);(204.18843,0.06706707);(205.04933,0.02702703);(205.14879,0.04304304);(205.1602,0.0970971);(205.17868,0.01801802);(205.18944,0.07207207);(205.19925,0.04704705);(206.05237,0.01201201);(206.20432,0.01301301);(207.03827,0.01101101);(207.15916,0.02102102);(207.17653,0.2022022);(207.18239,0.07107107);(209.17842,0.00900901);(209.18553,0.02102102);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LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.02341,0.01301301);(85.02776,0.02702703);(95.08614,0.00600601);(109.09914,0.00600601);(111.04562,0.01301301);(129.054,0.04904905);(135.12036,0.00700701);(141.01714,0.03703704);(145.04617,0.01001001);(147.06572,0.06006006);(159.02971,0.04504505);(159.06708,0.00700701);(159.1167,0.00500501);(163.05942,0.06606607);(164.06647,0.00700701);(165.07332,0.00700701);(177.03574,0.01601602);(177.04395,0.00900901);(177.15895,0.02402402);(177.17238,0.01401401);(188.15509,0.00500501);(189.16414,0.00700701);(191.17949,0.01201201);(193.15337,0.01101101);(195.17104,0.01601602);(196.1808,0.00500501);(201.16663,0.01701702);(203.18021,0.03903904);(204.17949,0.00500501);(205.16516,0.00900901);(207.15562,0.00700701);(207.18059,0.00700701);(208.17635,0.00800801);(215.17693,0.02002002);(217.19083,0.02602603);(217.20029,0.02002002);(219.17912,0.00800801);(220.18161,0.00600601);(221.17303,0.00500501);(221.18604,0.01901902);(221.19884,0.01201201);(229.19469,0.00900901);(231.21318,0.00700701);(233.20039,0.00600601);(243.21704,0.00500501);(245.19321,0.02102102);(247.20361,0.03703704);(257.22482,0.00700701);(261.21692,0.00600601);(269.05811,0.00500501);(269.06934,0.00800801);(273.09515,0.01601602);(287.07739,0.01701702);(291.1051,0.01001001);(301.24695,0.00900901);(305.08237,0.02502503);(305.09528,0.02902903);(306.08002,0.00600601);(309.11371,0.03903904);(309.12668,0.00900901);(315.267,0.02002002);(316.27454,0.01201201);(321.08322,0.02002002);(323.09909,0.03303303);(323.11673,0.00600601);(325.18631,0.00500501);(339.07416,0.00500501);(339.08661,0.00700701);(351.18417,0.01701702);(365.19373,0.00800801);(365.31274,0.01701702);(365.33124,0.01301301);(379.20993,0.00900901);(383.33063,0.02702703);(384.33328,0.00700701);(395.38016,0.00500501);(403.20966,0.00600601);(405.33289,0.02902903);(405.35159,0.04704705);(406.35416,0.02202202);(407.34415,0.00600601);(407.37698,0.00500501);(411.3588,0.01001001);(423.31409,0.00500501);(423.36273,0.66666667);(424.36429,0.20620621);(424.37839,0.07007007);(425.37268,0.03703704);(441.37268,1.0);(442.37424,0.33333333);(443.37689,0.04804805);(459.37177,0.01001001);(460.38757,0.00600601);(551.42151,0.00500501);(570.4234,0.00600601);(581.38159,0.03903904);(582.3725,0.01201201);(582.39148,0.02902903);(599.30615,0.00600601);(599.33624,0.00700701);(599.39368,0.31331331);(600.39069,0.04804805);(600.41516,0.05305305);(601.4043,0.01001001);(605.44836,0.00600601);(617.37225,0.00600601);(617.39777,0.02902903);(617.42371,0.01701702);(635.40973,0.01301301);(636.41418,0.00500501);(797.43042,0.00800801);(797.45306,0.01101101);(797.48279,0.02302302);(798.48596,0.02502503)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(67.36834,0.01401401);(69.03458,0.01301301);(69.06079,0.01001001);(71.03583,0.01001001);(71.0494,0.13413413);(71.71146,0.01801802);(73.02924,0.01101101);(75.04306,0.03403403);(75.05037,0.01101101);(75.52268,0.01101101);(81.06805,0.03203203);(82.07384,0.03503504);(83.04916,0.05305305);(84.08958,0.01101101);(85.01443,0.01901902);(85.02855,0.34134134);(87.03282,0.00900901);(88.05161,0.01701702);(90.37443,0.00900901);(91.03919,0.02202202);(93.06741,0.02102102);(95.08665,0.27027027);(97.03001,0.11311311);(97.06397,0.02902903);(97.10067,0.03403403);(97.62218,0.01201201);(99.03474,0.00900901);(99.04095,0.00900901);(99.0775,0.01201201);(101.02314,0.01101101);(101.0626,0.01401401);(101.68327,0.00900901);(105.05208,0.01001001);(105.06622,0.02502503);(105.07357,0.01901902);(106.06756,0.01101101);(107.08605,0.14714715);(108.08978,0.01001001);(109.02746,0.01001001);(109.10094,0.39139139);(109.11301,0.01301301);(109.65858,0.01001001);(110.10508,0.02202202);(111.04453,0.03903904);(111.0517,0.00900901);(111.07974,0.09409409);(111.08829,0.01001001);(111.99818,0.00900901);(113.00164,0.01801802);(113.02079,0.02102102);(113.02745,0.01201201);(119.08182,0.03903904);(119.08774,0.04704705);(119.66296,0.01001001);(121.09902,0.12112112);(122.09564,0.01101101);(122.11193,0.01401401);(123.00958,0.02802803);(123.09238,0.01301301);(123.10702,0.01001001);(123.11687,0.14614615);(124.11616,0.01301301);(124.12363,0.01001001);(125.09557,0.02102102);(125.1281,0.00900901);(127.03059,0.00900901);(127.04028,0.04304304);(129.0399,0.01001001);(129.05499,0.4014014);(129.06798,0.01001001);(129.33821,0.01201201);(130.05769,0.05305305);(131.09245,0.03303303);(133.08652,0.02102102);(133.10197,0.13913914);(134.10365,0.03903904);(134.1169,0.01201201);(135.11652,0.27927928);(136.12042,0.02602603);(136.12503,0.01101101);(137.10066,0.01201201);(137.12711,0.02102102);(137.133,0.04604605);(137.14185,0.01001001);(138.09253,0.01101101);(139.03894,0.01101101);(139.10909,0.1011011);(139.38007,0.01001001);(140.12134,0.01101101);(141.01808,0.87587588);(142.02249,0.03203203);(142.56644,0.01001001);(145.04706,0.06106106);(145.05411,0.02202202);(145.0983,0.04604605);(145.70131,0.01001001);(147.04372,0.01201201);(147.06511,0.1011011);(147.11526,0.12712713);(147.12299,0.09009009);(148.06802,0.01001001);(148.07808,0.01601602);(148.11777,0.01201201);(148.12982,0.01301301);(149.13203,0.31531532);(150.13614,0.04904905);(150.14438,0.01101101);(151.10684,0.01301301);(151.11627,0.01201201);(151.14488,0.02002002);(151.15408,0.01301301);(152.11066,0.02102102);(152.12102,0.01101101);(153.13809,0.01101101);(157.05293,0.01101101);(158.10036,0.01601602);(159.02975,0.33633634);(159.06662,0.01301301);(159.1122,0.08008008);(159.12181,0.03003003);(160.03879,0.01001001);(160.11971,0.01101101);(160.12648,0.01901902);(160.49394,0.01001001);(161.13136,0.25025025);(162.1356,0.01001001);(162.14183,0.01901902);(163.05879,0.13013013);(163.09819,0.01401401);(163.10536,0.01001001);(163.12045,0.01201201);(163.13148,0.01301301);(163.14944,0.3033033);(164.06721,0.01301301);(164.15369,0.01101101);(165.01147,0.01001001);(165.02124,0.01001001);(165.06364,0.01101101);(165.10945,0.01101101);(165.12511,0.05305305);(165.13405,0.04504505);(165.15532,0.02502503);(166.13254,0.01001001);(167.14328,0.03803804);(171.05132,0.01101101);(171.06673,0.02002002);(171.07535,0.01001001);(171.11034,0.04404404);(171.12445,0.01101101);(172.0717,0.01401401);(172.12071,0.01001001);(173.04445,0.02002002);(173.09206,0.01301301);(173.12761,0.06706707);(173.13826,0.05605606);(174.04245,0.01001001);(174.13405,0.01901902);(174.53894,0.01401401);(175.14713,0.41941942);(176.15073,0.03703704);(176.15968,0.01001001);(176.43678,0.01101101);(177.02757,0.02602603);(177.04147,0.06606607);(177.05859,0.01501502);(177.1259,0.02102102);(177.14304,0.01501502);(177.16185,0.41241241);(178.04147,0.02002002);(178.16794,0.04204204);(179.14142,0.03003003);(179.18369,0.04004004);(180.17909,0.01101101);(183.0287,0.01201201);(183.05698,0.01301301);(183.09261,0.01101101);(185.12944,0.01101101);(187.14781,0.28028028);(188.14653,0.02102102);(188.15881,0.02502503);(189.16338,0.44444444);(190.16789,0.1041041);(191.1416,0.05305305);(191.1739,0.11411411);(191.1824,0.1041041);(193.15781,0.13713714);(193.20312,0.01001001);(194.16116,0.05705706);(195.17154,0.14114114);(195.18411,0.02402402);(196.18198,0.01801802);(199.06592,0.01101101);(199.13942,0.03103103);(201.14696,0.00900901);(201.16373,0.23323323);(201.1803,0.02702703);(202.16945,0.06906907);(203.13582,0.03003003);(203.15158,0.01001001);(203.17992,0.96696697);(203.24979,0.01801802);(203.37944,0.01101101);(203.42671,0.01001001);(204.146,0.01101101);(204.15378,0.01301301);(204.16783,0.02902903);(204.18405,0.10610611);(205.13101,0.01401401);(205.16011,0.07307307);(205.19612,0.08708709);(206.16447,0.02002002);(206.19421,0.03603604);(207.17015,0.10610611);(207.18161,0.07807808);(207.2086,0.00900901);(208.17311,0.02902903);(208.18748,0.02102102);(208.87228,0.01001001);(209.05725,0.01001001);(209.08522,0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LC-MS/MSLC-ESI-QTOFPositivelowView 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LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.057,0.015);(141.019,0.014);(147.066,0.032);(159.026,0.017);(163.06,0.031);(177.162,0.015);(189.162,0.015);(195.177,0.015);(203.181,0.037);(207.176,0.011);(217.194,0.042);(219.176,0.019);(247.208,0.015);(305.083,0.011);(309.117,0.024);(315.267,0.014);(323.101,0.028);(339.095,0.013);(383.332,0.011);(405.347,0.015);(405.365,0.017);(423.363,0.33);(424.366,0.11);(425.36,0.012);(425.374,0.024);(441.372,0.423);(442.376,0.125);(443.373,0.014);(459.382,0.026);(581.361,0.01);(581.387,0.013);(581.407,0.014);(582.389,0.017);(599.397,0.207);(600.402,0.062);(600.418,0.019);(601.412,0.014);(605.441,0.031);(606.439,0.011);(617.405,0.074);(618.404,0.037);(635.42,0.077);(636.43,0.015);(637.427,0.013);(781.452,0.017);(781.484,0.015);(782.482,0.012);(797.466,0.145);(798.471,0.077);(943.525,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(85.023,0.013);(85.028,0.027);(111.046,0.013);(129.054,0.049);(141.017,0.037);(145.046,0.01);(147.066,0.06);(159.03,0.045);(163.059,0.066);(177.036,0.016);(177.159,0.024);(177.172,0.014);(191.179,0.012);(193.153,0.011);(195.171,0.016);(201.167,0.017);(203.18,0.039);(215.177,0.02);(217.191,0.026);(217.2,0.02);(221.186,0.019);(221.199,0.012);(245.193,0.021);(247.204,0.037);(273.095,0.016);(287.077,0.017);(291.105,0.01);(305.082,0.025);(305.095,0.029);(309.114,0.039);(315.267,0.02);(316.275,0.012);(321.083,0.02);(323.099,0.033);(351.184,0.017);(365.313,0.017);(365.331,0.013);(383.331,0.027);(405.333,0.029);(405.352,0.047);(406.354,0.022);(411.359,0.01);(423.363,0.667);(424.364,0.206);(424.378,0.07);(425.373,0.037);(441.373,1.0);(442.374,0.333);(443.377,0.048);(459.372,0.01);(581.382,0.039);(582.372,0.012);(582.391,0.029);(599.394,0.313);(600.391,0.048);(600.415,0.053);(601.404,0.01);(617.398,0.029);(617.424,0.017);(635.41,0.013);(797.453,0.011);(797.483,0.023);(798.486,0.025)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(67.368,0.014);(69.035,0.013);(69.061,0.01);(71.036,0.01);(71.049,0.134);(71.711,0.018);(73.029,0.011);(75.043,0.034);(75.05,0.011);(75.523,0.011);(81.068,0.032);(82.074,0.035);(83.049,0.053);(84.09,0.011);(85.014,0.019);(85.029,0.341);(88.052,0.017);(91.039,0.022);(93.067,0.021);(95.087,0.27);(97.03,0.113);(97.064,0.029);(97.101,0.034);(97.622,0.012);(99.078,0.012);(101.023,0.011);(101.063,0.014);(105.052,0.01);(105.066,0.025);(105.074,0.019);(106.068,0.011);(107.086,0.147);(108.09,0.01);(109.027,0.01);(109.101,0.391);(109.113,0.013);(109.659,0.01);(110.105,0.022);(111.045,0.039);(111.08,0.094);(111.088,0.01);(113.002,0.018);(113.021,0.021);(113.027,0.012);(119.082,0.039);(119.088,0.047);(119.663,0.01);(121.099,0.121);(122.096,0.011);(122.112,0.014);(123.01,0.028);(123.092,0.013);(123.107,0.01);(123.117,0.146);(124.116,0.013);(124.124,0.01);(125.096,0.021);(127.04,0.043);(129.04,0.01);(129.055,0.401);(129.068,0.01);(129.338,0.012);(130.058,0.053);(131.092,0.033);(133.087,0.021);(133.102,0.139);(134.104,0.039);(134.117,0.012);(135.117,0.279);(136.12,0.026);(136.125,0.011);(137.101,0.012);(137.127,0.021);(137.133,0.046);(137.142,0.01);(138.093,0.011);(139.039,0.011);(139.109,0.101);(139.38,0.01);(140.121,0.011);(141.018,0.876);(142.022,0.032);(142.566,0.01);(145.047,0.061);(145.054,0.022);(145.098,0.046);(145.701,0.01);(147.044,0.012);(147.065,0.101);(147.115,0.127);(147.123,0.09);(148.068,0.01);(148.078,0.016);(148.118,0.012);(148.13,0.013);(149.132,0.315);(150.136,0.049);(150.144,0.011);(151.107,0.013);(151.116,0.012);(151.145,0.02);(151.154,0.013);(152.111,0.021);(152.121,0.011);(153.138,0.011);(157.053,0.011);(158.1,0.016);(159.03,0.336);(159.067,0.013);(159.112,0.08);(159.122,0.03);(160.039,0.01);(160.12,0.011);(160.126,0.019);(160.494,0.01);(161.131,0.25);(162.136,0.01);(162.142,0.019);(163.059,0.13);(163.098,0.014);(163.105,0.01);(163.12,0.012);(163.131,0.013);(163.149,0.303);(164.067,0.013);(164.154,0.011);(165.011,0.01);(165.021,0.01);(165.064,0.011);(165.109,0.011);(165.125,0.053);(165.134,0.045);(165.155,0.025);(166.133,0.01);(167.143,0.038);(171.051,0.011);(171.067,0.02);(171.075,0.01);(171.11,0.044);(171.124,0.011);(172.072,0.014);(172.121,0.01);(173.044,0.02);(173.092,0.013);(173.128,0.067);(173.138,0.056);(174.042,0.01);(174.134,0.019);(174.539,0.014);(175.147,0.419);(176.151,0.037);(176.16,0.01);(176.437,0.011);(177.028,0.026);(177.041,0.066);(177.059,0.015);(177.126,0.021);(177.143,0.015);(177.162,0.412);(178.041,0.02);(178.168,0.042);(179.141,0.03);(179.184,0.04);(180.179,0.011);(183.029,0.012);(183.057,0.013);(183.093,0.011);(185.129,0.011);(187.148,0.28);(188.147,0.021);(188.159,0.025);(189.163,0.444);(190.168,0.104);(191.142,0.053);(191.174,0.114);(191.182,0.104);(193.158,0.137);(193.203,0.01);(194.161,0.057);(195.172,0.141);(195.184,0.024);(196.182,0.018);(199.066,0.011);(199.139,0.031);(201.164,0.233);(201.18,0.027);(202.169,0.069);(203.136,0.03);(203.152,0.01);(203.18,0.967);(203.25,0.018);(203.379,0.011);(203.427,0.01);(204.146,0.011);(204.154,0.013);(204.168,0.029);(204.184,0.106);(205.131,0.014);(205.16,0.073);(205.196,0.087);(206.164,0.02);(206.194,0.036);(207.17,0.106);(207.182,0.078);(208.173,0.029);(208.187,0.021);(208.872,0.01);(209.057,0.01);(209.085,0.01);(209.181,0.01);(211.143,0.03);(212.15,0.01);(213.072,0.023);(213.161,0.042);(214.038,0.011);(214.177,0.036);(215.124,0.011);(215.134,0.011);(215.149,0.02);(215.179,0.313);(216.181,0.086);(216.212,0.011);(217.151,0.026);(217.195,0.576);(217.213,0.019);(218.198,0.087);(219.159,0.018);(219.175,0.336);(220.181,0.097);(220.217,0.02);(221.183,0.086);(221.194,0.121);(222.196,0.033);(223.059,0.019);(223.066,0.023);(223.202,0.032);(227.14,0.011);(227.172,0.039);(227.185,0.067);(228.178,0.022);(228.193,0.011);(229.025,0.014);(229.195,0.419);(230.196,0.036);(230.205,0.039);(231.021,0.011);(231.163,0.01);(231.177,0.032);(231.213,0.041);(231.226,0.011);(232.215,0.013);(233.053,0.011);(233.19,0.142);(233.208,0.018);(235.191,0.014);(235.205,0.019);(236.197,0.012);(241.176,0.011);(241.195,0.043);(243.053,0.013);(243.21,0.181);(244.217,0.041);(244.377,0.012);(244.718,0.011);(245.19,0.088);(245.207,0.014);(246.192,0.02);(247.136,0.012);(247.192,0.045);(247.208,0.245);(247.232,0.011);(248.212,0.065);(248.696,0.01);(249.181,0.011);(251.174,0.01);(252.096,0.01);(253.182,0.012);(253.196,0.011);(254.203,0.021);(254.214,0.011);(255.077,0.02);(255.197,0.028);(255.214,0.104);(256.094,0.015);(256.211,0.024);(256.97,0.01);(257.204,0.018);(257.222,0.059);(257.232,0.08);(258.206,0.013);(258.223,0.011);(258.242,0.023);(259.077,0.021);(259.202,0.02);(259.215,0.05);(259.244,0.011);(261.07,0.01);(261.222,0.125);(262.234,0.025);(263.217,0.01);(267.212,0.02);(268.214,0.012);(269.04,0.01);(269.062,0.014);(269.217,0.038);(269.229,0.085);(270.222,0.01);(271.204,0.01);(271.218,0.01);(271.234,0.051);(271.253,0.029);(272.209,0.045);(272.25,0.011);(273.185,0.011);(273.22,0.067);(273.232,0.036);(273.887,0.011);(274.229,0.01);(275.223,0.017);(275.238,0.102);(275.794,0.01);(276.25,0.01);(277.161,0.016);(278.977,0.011);(281.226,0.022);(281.409,0.011);(282.234,0.011);(283.239,0.044);(283.25,0.065);(284.245,0.019);(285.062,0.012);(285.219,0.028);(285.228,0.01);(285.254,0.046);(287.082,0.013);(287.192,0.01);(287.234,0.037);(287.247,0.022);(289.251,0.014);(295.23,0.018);(295.241,0.025);(295.629,0.011);(296.25,0.01);(297.254,0.081);(297.922,0.011);(298.251,0.021);(298.272,0.018);(299.233,0.011);(299.266,0.01);(300.248,0.044);(301.256,0.029);(302.292,0.02);(305.093,0.031);(305.127,0.01);(306.093,0.011);(309.258,0.018);(310.117,0.01);(310.26,0.02);(311.267,0.059);(311.277,0.019);(312.28,0.022);(313.253,0.071);(315.036,0.01);(315.162,0.01);(315.249,0.013);(315.267,0.042);(315.313,0.018);(315.569,0.01);(316.245,0.01);(316.271,0.021);(323.234,0.019);(325.15,0.01);(325.311,0.01);(329.185,0.01);(329.272,0.037);(329.285,0.088);(330.286,0.016);(335.267,0.018);(339.012,0.016);(339.262,0.011);(339.308,0.01);(343.29,0.011);(351.169,0.022);(351.301,0.01);(352.176,0.01);(352.3,0.013);(353.186,0.013);(355.299,0.01);(361.191,0.013);(363.296,0.016);(364.313,0.036);(365.079,0.01);(365.265,0.013);(365.312,0.045);(365.324,0.125);(366.239,0.013);(366.322,0.076);(366.737,0.01);(367.298,0.019);(367.345,0.018);(369.313,0.107);(371.29,0.01);(375.799,0.011);(377.307,0.01);(379.202,0.01);(379.323,0.01);(379.513,0.01);(380.315,0.011);(381.298,0.023);(381.324,0.01);(382.318,0.01);(383.318,0.045);(383.335,0.057);(384.319,0.01);(384.343,0.01);(391.204,0.014);(391.228,0.01);(391.348,0.012);(393.355,0.02);(395.373,0.028);(405.225,0.01);(405.353,0.265);(405.375,0.025);(406.339,0.01);(406.359,0.095);(407.36,0.025);(411.364,0.063);(411.899,0.014);(412.371,0.033);(415.855,0.01);(423.324,0.021);(423.362,1.0);(423.4,0.01);(424.323,0.02);(424.368,0.411);(424.396,0.022);(425.34,0.01);(425.364,0.026);(426.356,0.011);(431.322,0.014);(431.336,0.013);(435.307,0.012);(436.383,0.01);(438.328,0.01);(441.36,0.057);(441.379,0.168);(441.421,0.011);(442.384,0.091);(443.379,0.011);(451.346,0.016);(453.381,0.01);(462.937,0.011);(528.332,0.013);(538.886,0.021);(545.351,0.021);(554.4,0.011);(581.38,0.021);(582.399,0.033);(583.399,0.01);(599.406,0.028);(600.417,0.025);(604.323,0.012);(679.703,0.011)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.053,0.014);(141.019,0.01);(147.062,0.013);(163.062,0.034);(175.15,0.016);(177.037,0.012);(189.164,0.011);(203.182,0.018);(215.186,0.012);(217.196,0.029);(233.19,0.01);(247.212,0.012);(305.085,0.019);(309.117,0.02);(323.098,0.024);(365.319,0.01);(383.334,0.019);(405.337,0.015);(405.355,0.028);(406.358,0.014);(423.362,0.286);(424.368,0.075);(425.359,0.012);(425.383,0.012);(441.371,0.347);(442.365,0.049);(442.381,0.089);(443.371,0.029);(459.391,0.019);(581.375,0.018);(581.404,0.013);(599.395,0.16);(600.393,0.065);(605.434,0.036);(606.454,0.01);(617.406,0.087);(618.406,0.044);(635.401,0.022);(635.419,0.057);(636.422,0.014);(781.457,0.01);(781.504,0.01);(782.473,0.016);(797.47,0.124);(798.475,0.049);(943.524,1.0)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(56.345,0.027);(57.034,0.011);(61.026,0.021);(71.048,0.102);(73.027,0.013);(81.067,0.073);(81.074,0.02);(82.072,0.01);(85.028,0.455);(87.043,0.012);(91.039,0.089);(91.051,0.02);(93.069,0.01);(93.077,0.01);(95.01,0.02);(95.086,0.185);(96.11,0.01);(97.03,0.045);(97.065,0.022);(97.097,0.01);(99.072,0.011);(99.082,0.011);(101.057,0.014);(103.039,0.055);(105.072,0.047);(106.946,0.011);(107.085,0.093);(107.125,0.01);(107.322,0.011);(109.07,0.01);(109.102,0.297);(109.113,0.012);(110.103,0.046);(110.347,0.017);(111.043,0.116);(111.05,0.038);(111.079,0.054);(111.115,0.01);(112.05,0.03);(112.083,0.034);(113.095,0.01);(117.051,0.015);(119.086,0.094);(121.1,0.157);(122.098,0.02);(123.084,0.017);(123.119,0.149);(124.116,0.025);(124.122,0.017);(125.099,0.012);(127.022,0.012);(127.036,0.03);(127.044,0.051);(129.053,0.42);(130.059,0.018);(130.621,0.01);(131.035,0.02);(131.062,0.011);(132.518,0.011);(132.636,0.011);(133.094,0.028);(133.101,0.078);(133.109,0.021);(134.105,0.023);(135.106,0.021);(135.117,0.218);(136.116,0.012);(136.123,0.011);(137.098,0.019);(137.115,0.013);(137.134,0.054);(138.132,0.027);(139.11,0.088);(139.139,0.011);(140.116,0.022);(141.019,0.708);(141.129,0.015);(142.004,0.01);(142.012,0.02);(142.023,0.017);(145.051,0.06);(145.1,0.076);(146.103,0.01);(147.065,0.243);(147.106,0.032);(147.117,0.084);(148.073,0.019);(149.133,0.254);(150.134,0.04);(151.114,0.02);(151.151,0.031);(153.13,0.032);(159.028,0.224);(159.1,0.038);(159.11,0.048);(159.119,0.052);(160.107,0.01);(160.118,0.01);(160.909,0.01);(161.134,0.216);(161.17,0.011);(162.135,0.02);(162.141,0.028);(163.057,0.097);(163.067,0.053);(163.104,0.019);(163.147,0.353);(164.15,0.037);(164.377,0.01);(165.068,0.013);(165.126,0.089);(165.854,0.015);(166.124,0.023);(166.134,0.013);(167.137,0.012);(171.111,0.011);(171.453,0.011);(172.285,0.012);(173.039,0.01);(173.068,0.011);(173.128,0.053);(173.138,0.022);(175.11,0.012);(175.131,0.016);(175.145,0.16);(175.153,0.129);(176.147,0.032);(176.159,0.011);(177.04,0.041);(177.052,0.01);(177.126,0.03);(177.16,0.332);(177.168,0.173);(178.045,0.02);(178.164,0.014);(178.705,0.013);(179.128,0.019);(179.143,0.034);(179.172,0.021);(179.179,0.042);(179.945,0.01);(180.154,0.01);(180.176,0.022);(180.187,0.01);(181.154,0.022);(185.125,0.017);(185.134,0.033);(187.123,0.026);(187.148,0.141);(187.309,0.013);(188.146,0.018);(189.057,0.014);(189.146,0.01);(189.163,0.298);(190.05,0.02);(190.149,0.011);(190.165,0.055);(191.031,0.012);(191.135,0.012);(191.143,0.01);(191.167,0.029);(191.181,0.206);(192.151,0.011);(192.178,0.044);(192.187,0.022);(193.141,0.01);(193.154,0.038);(195.057,0.01);(195.176,0.155);(196.067,0.01);(196.178,0.01);(197.126,0.013);(199.153,0.01);(200.124,0.01);(200.144,0.022);(200.164,0.01);(201.165,0.426);(202.159,0.011);(202.17,0.026);(203.062,0.013);(203.135,0.015);(203.18,0.688);(203.201,0.011);(204.177,0.124);(204.188,0.067);(205.049,0.027);(205.149,0.043);(205.16,0.097);(205.179,0.018);(205.189,0.072);(205.199,0.047);(206.052,0.012);(206.204,0.013);(207.038,0.011);(207.159,0.021);(207.177,0.202);(207.182,0.071);(209.186,0.021);(211.062,0.01);(211.148,0.021);(213.162,0.088);(215.161,0.022);(215.178,0.209);(215.193,0.026);(216.18,0.029);(217.155,0.013);(217.165,0.028);(217.173,0.027);(217.194,0.471);(218.194,0.01);(218.203,0.025);(219.159,0.012);(219.171,0.076);(219.182,0.083);(219.209,0.049);(220.176,0.038);(220.187,0.018);(221.184,0.079);(221.194,0.126);(221.206,0.017);(222.19,0.037);(222.205,0.011);(225.061,0.012);(225.162,0.021);(227.171,0.021);(227.179,0.094);(228.175,0.01);(229.191,0.196);(229.203,0.082);(230.195,0.07);(231.092,0.014);(231.174,0.04);(231.202,0.011);(231.22,0.02);(233.188,0.153);(234.185,0.02);(234.925,0.012);(235.208,0.049);(239.182,0.034);(240.18,0.011);(241.062,0.011);(241.192,0.064);(241.707,0.011);(242.198,0.01);(243.211,0.204);(243.424,0.011);(244.213,0.024);(245.152,0.01);(245.186,0.055);(245.22,0.019);(246.201,0.011);(246.227,0.013);(247.208,0.225);(248.211,0.031);(251.046,0.011);(253.204,0.021);(255.077,0.016);(255.202,0.032);(255.214,0.114);(256.17,0.011);(257.221,0.115);(259.209,0.019);(261.049,0.011);(261.196,0.013);(261.225,0.136);(262.226,0.01);(262.235,0.01);(267.204,0.01);(268.217,0.019);(269.17,0.014);(269.207,0.011);(269.235,0.039);(269.243,0.013);(270.234,0.031);(271.145,0.011);(271.203,0.028);(271.244,0.022);(271.255,0.024);(273.102,0.011);(273.198,0.01);(273.214,0.036);(273.224,0.042);(274.227,0.012);(274.862,0.011);(275.2,0.011);(275.232,0.052);(276.238,0.029);(277.213,0.01);(279.177,0.01);(279.757,0.011);(281.218,0.027);(281.232,0.027);(282.207,0.01);(282.226,0.023);(283.236,0.047);(283.247,0.046);(285.067,0.01);(285.219,0.02);(285.25,0.023);(285.262,0.035);(285.275,0.01);(287.076,0.018);(287.227,0.028);(293.241,0.013);(295.161,0.015);(295.24,0.06);(297.258,0.035);(299.235,0.02);(301.236,0.019);(301.253,0.015);(302.268,0.015);(303.263,0.012);(305.093,0.02);(309.257,0.029);(311.262,0.028);(313.224,0.01);(313.255,0.04);(314.241,0.01);(314.256,0.013);(315.253,0.011);(315.264,0.011);(315.275,0.011);(316.275,0.01);(318.293,0.01);(321.07,0.012);(321.259,0.011);(321.273,0.012);(322.168,0.01);(325.163,0.013);(325.257,0.028);(325.295,0.022);(326.287,0.01);(329.285,0.02);(335.259,0.011);(335.276,0.028);(339.234,0.01);(339.269,0.01);(349.277,0.015);(351.258,0.012);(351.286,0.011);(351.305,0.014);(352.308,0.011);(353.206,0.012);(355.287,0.01);(357.178,0.01);(365.302,0.031);(365.328,0.093);(365.901,0.01);(366.285,0.011);(366.328,0.012);(367.332,0.011);(367.366,0.01);(369.307,0.027);(371.29,0.011);(375.082,0.012);(377.205,0.01);(379.203,0.012);(379.984,0.01);(381.32,0.031);(381.367,0.014);(383.326,0.056);(383.343,0.038);(393.334,0.02);(395.369,0.032);(395.41,0.01);(405.335,0.067);(405.353,0.206);(406.348,0.04);(406.363,0.028);(409.341,0.01);(411.366,0.081);(411.381,0.032);(421.343,0.01);(421.358,0.01);(422.354,0.01);(423.347,0.239);(423.362,1.0);(424.316,0.015);(424.37,0.359);(425.348,0.019);(425.378,0.03);(431.502,0.011);(439.358,0.011);(440.36,0.012);(441.363,0.191);(441.39,0.08);(442.371,0.092);(442.396,0.015);(444.373,0.012);(454.16,0.011);(458.344,0.015);(471.262,0.011);(523.318,0.013);(545.377,0.017);(564.385,0.014);(570.396,0.011);(581.383,0.027);(582.383,0.01);(599.385,0.011);(599.405,0.01);(601.417,0.011);(693.628,0.014);(929.463,0.019)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(129.054,0.011);(147.065,0.015);(203.177,0.019);(207.176,0.011);(217.194,0.025);(219.175,0.012);(233.192,0.01);(305.09,0.011);(309.117,0.015);(323.097,0.013);(383.335,0.014);(405.357,0.028);(423.363,0.173);(424.363,0.063);(441.374,0.227);(442.376,0.085);(443.379,0.016);(581.379,0.011);(599.393,0.106);(600.397,0.029);(605.44,0.02);(617.406,0.07);(618.401,0.013);(635.411,0.028);(781.466,0.015);(797.468,0.081);(798.471,0.043);(799.465,0.011);(943.525,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(85.031,0.016);(129.055,0.05);(141.017,0.026);(145.049,0.011);(147.065,0.078);(159.024,0.012);(159.031,0.041);(163.059,0.059);(163.148,0.017);(175.154,0.016);(177.039,0.035);(177.163,0.024);(187.144,0.01);(189.164,0.024);(191.18,0.013);(195.175,0.022);(201.166,0.017);(203.18,0.079);(204.185,0.012);(205.159,0.019);(207.173,0.027);(215.176,0.015);(217.198,0.057);(218.196,0.014);(219.176,0.015);(221.193,0.023);(229.203,0.016);(233.188,0.02);(245.189,0.019);(247.205,0.02);(261.219,0.011);(273.22,0.01);(305.081,0.024);(305.093,0.029);(309.114,0.034);(309.126,0.02);(315.276,0.013);(321.082,0.023);(323.095,0.042);(339.094,0.011);(339.104,0.014);(365.312,0.01);(383.331,0.013);(383.341,0.029);(384.332,0.021);(405.352,0.093);(406.352,0.018);(423.362,0.748);(424.357,0.109);(424.371,0.163);(425.367,0.059);(441.372,1.0);(442.376,0.393);(443.374,0.04);(443.393,0.016);(459.389,0.012);(581.382,0.063);(581.407,0.026);(582.381,0.027);(583.386,0.011);(599.397,0.401);(600.398,0.127);(601.398,0.022);(606.453,0.011);(617.397,0.033);(617.417,0.042);(618.401,0.017);(636.423,0.011);(797.465,0.045);(798.46,0.02)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(57.071,0.012);(69.034,0.025);(69.072,0.016);(71.043,0.021);(71.05,0.047);(71.686,0.011);(73.031,0.036);(75.045,0.023);(75.049,0.014);(79.04,0.011);(81.068,0.038);(81.072,0.029);(81.853,0.013);(83.027,0.011);(83.049,0.049);(83.054,0.024);(84.054,0.012);(84.997,0.012);(85.028,0.562);(85.052,0.013);(86.028,0.012);(87.785,0.012);(88.048,0.014);(91.033,0.024);(91.039,0.128);(91.053,0.013);(92.042,0.011);(93.066,0.012);(95.014,0.011);(95.086,0.19);(96.086,0.016);(97.027,0.034);(97.1,0.011);(99.082,0.021);(101.058,0.016);(102.984,0.014);(105.069,0.012);(107.084,0.106);(107.09,0.036);(108.092,0.022);(109.062,0.012);(109.101,0.301);(109.114,0.015);(110.1,0.038);(110.107,0.011);(111.041,0.048);(111.046,0.037);(111.076,0.022);(111.081,0.063);(111.088,0.016);(111.113,0.024);(112.047,0.019);(112.089,0.013);(112.123,0.012);(113.028,0.011);(113.052,0.011);(113.098,0.023);(113.891,0.011);(115.036,0.012);(117.055,0.011);(118.597,0.012);(119.074,0.024);(119.081,0.063);(119.088,0.03);(120.095,0.014);(121.102,0.259);(122.103,0.011);(122.109,0.017);(123.108,0.04);(123.114,0.101);(123.121,0.089);(124.114,0.011);(125.104,0.015);(127.037,0.092);(127.119,0.014);(128.051,0.011);(129.037,0.012);(129.055,0.356);(130.057,0.011);(131.039,0.011);(131.079,0.011);(131.095,0.011);(132.092,0.012);(133.047,0.012);(133.102,0.169);(134.1,0.011);(134.113,0.017);(135.033,0.014);(135.044,0.024);(135.097,0.011);(135.112,0.1);(135.119,0.131);(136.122,0.031);(136.129,0.025);(137.1,0.013);(137.132,0.065);(139.107,0.032);(139.114,0.048);(140.118,0.022);(141.019,0.873);(142.016,0.039);(142.024,0.06);(143.025,0.012);(143.069,0.014);(143.738,0.014);(145.032,0.012);(145.047,0.07);(145.094,0.014);(145.1,0.028);(146.059,0.015);(146.108,0.012);(146.962,0.014);(146.974,0.017);(147.02,0.012);(147.05,0.013);(147.065,0.121);(147.092,0.013);(147.113,0.089);(147.119,0.187);(148.107,0.013);(148.134,0.012);(149.132,0.25);(149.141,0.08);(150.136,0.013);(151.107,0.017);(151.153,0.038);(153.054,0.012);(153.134,0.034);(158.109,0.012);(159.024,0.078);(159.031,0.227);(159.104,0.012);(159.115,0.154);(159.125,0.022);(161.119,0.032);(161.132,0.332);(162.132,0.04);(162.139,0.019);(162.99,0.013);(163.058,0.265);(163.114,0.042);(163.121,0.022);(163.136,0.025);(163.146,0.172);(163.154,0.094);(164.064,0.016);(164.109,0.012);(164.15,0.039);(164.379,0.016);(165.075,0.012);(165.126,0.048);(165.161,0.012);(166.077,0.019);(166.13,0.017);(170.101,0.017);(171.069,0.024);(171.111,0.032);(173.124,0.017);(173.134,0.052);(173.291,0.011);(174.13,0.012);(175.082,0.012);(175.146,0.201);(176.142,0.015);(176.152,0.034);(176.332,0.021);(177.038,0.096);(177.119,0.022);(177.13,0.011);(177.162,0.38);(177.168,0.121);(178.161,0.037);(178.169,0.032);(179.04,0.011);(179.14,0.011);(179.181,0.021);(180.176,0.011);(180.186,0.012);(181.16,0.028);(182.087,0.011);(185.127,0.012);(185.136,0.012);(185.144,0.011);(187.056,0.013);(187.123,0.016);(187.14,0.053);(187.153,0.104);(188.145,0.011);(189.01,0.035);(189.11,0.014);(189.163,0.411);(190.155,0.029);(190.79,0.016);(191.142,0.048);(191.156,0.027);(191.17,0.078);(191.18,0.139);(191.219,0.022);(192.197,0.011);(193.047,0.011);(193.162,0.073);(193.182,0.011);(193.197,0.012);(194.156,0.012);(194.166,0.016);(195.139,0.025);(195.16,0.014);(195.177,0.088);(196.176,0.011);(197.712,0.011);(199.142,0.057);(199.155,0.031);(200.151,0.011);(201.082,0.012);(201.125,0.011);(201.133,0.011);(201.163,0.232);(201.17,0.096);(202.163,0.011);(202.176,0.029);(203.179,1.0);(203.247,0.011);(204.093,0.011);(204.185,0.142);(205.155,0.077);(205.168,0.014);(205.188,0.037);(205.199,0.087);(206.163,0.045);(206.198,0.012);(207.17,0.089);(207.178,0.057);(207.202,0.017);(208.177,0.047);(209.064,0.013);(209.183,0.011);(210.151,0.011);(211.066,0.016);(211.142,0.012);(211.164,0.011);(213.027,0.012);(213.081,0.013);(213.152,0.027);(213.169,0.058);(214.07,0.011);(214.174,0.012);(215.178,0.288);(215.186,0.125);(216.178,0.063);(216.188,0.043);(217.072,0.011);(217.162,0.084);(217.18,0.049);(217.196,0.536);(218.174,0.019);(218.185,0.03);(218.201,0.057);(218.212,0.016);(219.14,0.013);(219.173,0.305);(220.168,0.011);(220.18,0.032);(220.189,0.026);(220.215,0.015);(221.189,0.285);(222.195,0.028);(222.205,0.042);(223.222,0.015);(225.166,0.024);(227.167,0.013);(227.185,0.021);(228.179,0.011);(228.19,0.02);(228.2,0.014);(229.154,0.011);(229.172,0.012);(229.191,0.252);(229.204,0.059);(230.19,0.012);(230.209,0.015);(231.165,0.012);(231.178,0.016);(231.197,0.011);(231.214,0.077);(231.228,0.014);(232.158,0.017);(232.193,0.012);(232.209,0.014);(233.174,0.016);(233.189,0.144);(233.206,0.018);(234.15,0.016);(234.193,0.022);(235.204,0.034);(235.218,0.011);(237.192,0.013);(240.434,0.016);(241.067,0.022);(241.192,0.108);(241.211,0.022);(242.197,0.022);(243.05,0.019);(243.198,0.035);(243.214,0.161);(243.333,0.013);(244.207,0.011);(245.062,0.034);(245.168,0.012);(245.185,0.03);(245.203,0.021);(245.215,0.05);(245.236,0.03);(246.19,0.023);(246.245,0.011);(247.196,0.068);(247.208,0.221);(247.223,0.045);(247.904,0.015);(248.211,0.047);(251.051,0.011);(253.183,0.016);(253.194,0.011);(253.209,0.011);(255.082,0.023);(255.102,0.012);(255.209,0.086);(255.222,0.044);(256.201,0.022);(256.215,0.021);(257.206,0.011);(257.216,0.027);(257.228,0.081);(257.242,0.047);(258.229,0.013);(259.08,0.022);(259.196,0.06);(259.219,0.04);(259.24,0.021);(260.204,0.014);(261.205,0.021);(261.217,0.081);(261.229,0.041);(262.225,0.011);(266.616,0.014);(267.195,0.011);(267.204,0.035);(267.223,0.012);(267.258,0.011);(268.162,0.012);(269.075,0.029);(269.209,0.011);(269.227,0.164);(269.966,0.012);(270.083,0.017);(270.217,0.013);(270.227,0.016);(270.237,0.012);(271.173,0.012);(271.207,0.037);(271.239,0.03);(271.251,0.051);(272.233,0.014);(273.108,0.017);(273.192,0.011);(273.216,0.07);(273.232,0.04);(274.221,0.048);(274.257,0.015);(275.225,0.012);(275.242,0.058);(275.256,0.012);(276.237,0.011);(277.241,0.013);(281.199,0.013);(281.227,0.042);(281.244,0.017);(282.229,0.019);(283.237,0.05);(283.248,0.039);(283.263,0.027);(284.253,0.012);(285.227,0.04);(285.252,0.024);(287.068,0.025);(287.225,0.037);(287.24,0.048);(288.248,0.023);(289.267,0.013);(290.256,0.014);(293.205,0.012);(295.232,0.023);(295.253,0.045);(296.252,0.013);(297.25,0.05);(299.225,0.012);(299.251,0.019);(301.258,0.035);(309.255,0.039);(310.251,0.014);(310.26,0.012);(311.273,0.058);(313.248,0.06);(313.262,0.067);(313.284,0.015);(315.252,0.04);(315.27,0.027);(324.277,0.019);(329.292,0.028);(333.178,0.012);(337.292,0.012);(338.12,0.014);(339.092,0.016);(350.294,0.014);(351.191,0.012);(351.302,0.04);(351.317,0.023);(352.3,0.012);(353.253,0.012);(353.287,0.023);(359.292,0.016);(361.19,0.031);(361.644,0.014);(363.185,0.016);(363.3,0.017);(365.199,0.012);(365.265,0.011);(365.3,0.022);(365.318,0.046);(365.332,0.055);(366.327,0.039);(367.296,0.036);(367.318,0.014);(368.295,0.012);(369.307,0.071);(370.282,0.013);(370.317,0.03);(370.326,0.011);(377.307,0.011);(379.213,0.012);(382.104,0.011);(383.329,0.071);(383.349,0.012);(384.324,0.03);(384.345,0.019);(387.354,0.012);(388.079,0.012);(390.316,0.011);(393.346,0.011);(403.364,0.011);(405.14,0.013);(405.345,0.19);(405.365,0.17);(406.346,0.031);(406.367,0.069);(407.34,0.012);(408.344,0.016);(411.314,0.013);(411.353,0.081);(411.375,0.013);(412.372,0.012);(415.876,0.012);(423.352,0.543);(423.368,0.66);(424.36,0.307);(424.381,0.114);(425.369,0.106);(426.232,0.016);(426.949,0.012);(431.927,0.013);(441.325,0.011);(441.377,0.37);(442.338,0.026);(442.376,0.07);(443.382,0.024);(445.253,0.011);(451.256,0.014);(471.273,0.011);(482.349,0.013);(483.361,0.014);(494.364,0.011);(498.194,0.017);(503.258,0.016);(516.347,0.017);(537.413,0.012);(541.341,0.012);(563.373,0.035);(580.383,0.012);(581.36,0.011);(581.39,0.055);(582.386,0.012);(583.38,0.014);(583.79,0.012);(584.383,0.012);(594.987,0.012);(599.367,0.014);(599.393,0.057);(602.418,0.012);(603.453,0.018);(814.141,0.012);(939.71,0.016)

Food Sources

NameGroup
ChickpeaPulses and beans PublicationsShow
Common beanPulses and beans PublicationsShow
LentilsPulses and beans PublicationsShow
Soy beanSoy and soy products PublicationsShow

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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