PhytoHub: Showing entry for Ginsenoside Rb1

Ginsenoside Rb1

Identification

PhytoHub ID

PHUB002099

Name

Ginsenoside Rb1

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

1109.307

Monoisotopic Mass

1108.602939222

Chemical Formula

C₅₄H₉₂O₂₃

IUPAC Name

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-(6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI Key

GZYPWOGIYAIIPV-JBDTYSNRSA-N

InChI Identifier

InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1

SMILES

[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.07e+00 g/l
LogS (ALOGPS): -3.02
LogP (ALOGPS): -0.24
Hydrogen Acceptors: 23
Hydrogen Donors: 15
Rotatable Bond Count: 16
Polar Surface Area: 377.2900000000001
Refractivity: 266.8891000000001
Polarizability: 119.84152681553071
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -3.648674371948831
pKa (strongest acidic): 11.751605954439547
Number of Rings: 8
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: Yes

External Links

ChEBI: 67989
PubChem: 9898279
FooDB (Compounds): FDB014677

Taxonomy as Food Phytochemical

Family: Terpenoids
Class: Triterpenoids
Sub-class: Saponins

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Prenol lipids
Super-class: Lipids and lipid-like molecules
Sub-class: Terpene glycosides
Direct Parent Name: Triterpene saponins
Alternative Parent Names: ["12-hydroxysteroids", "14-alpha-methylsteroids", "Acetals", "Alkyl glycosides", "Cyclic alcohols and derivatives", "Disaccharides", "Fatty acyl glycosides of mono- and disaccharides", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols", "Steroidal glycosides", "Triterpenoids"]
External Descriptor Annotations: ["ginsenoside", "glycoside", "tetracyclic triterpenoid"]
Substituent Names: ["12-hydroxysteroid", "14-alpha-methylsteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Alkyl glycoside", "Cyclic alcohol", "Disaccharide", "Fatty acyl", "Fatty acyl glycoside", "Fatty acyl glycoside of mono- or disaccharide", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxysteroid", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol", "Steroid", "Steroidal glycoside", "Triterpene saponin", "Triterpenoid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(289.0911,0.01501502);(325.1124,1.0);(326.1156,0.11511512);(327.1173,0.02402402);(343.1227,0.08708709);(344.1259,0.01001001);(407.3665,0.14814815);(408.3699,0.04804805);(409.3773,0.01101101);(425.3771,0.24524525);(426.3808,0.07607608);(427.3855,0.01401401);(443.3878,0.06306306);(444.391,0.02002002);(451.1438,0.01701702);(487.1652,0.7977978);(488.1686,0.13113113);(489.1702,0.03103103);(505.1759,0.11111111);(506.1786,0.02002002);(569.4201,0.01201201);(587.4306,0.05605606);(588.4338,0.02102102);(605.4409,0.09209209);(606.4446,0.03103103);(649.2183,0.28528529);(650.2219,0.06206206);(651.2244,0.02102102);(667.2286,0.08908909);(668.232,0.02402402);(749.4831,0.06906907);(750.4861,0.03103103);(767.4936,0.18818819);(768.4971,0.06906907);(769.5002,0.02502503);(785.5043,0.04404404);(786.5074,0.01801802);(911.5349,0.01301301);(929.5457,0.05405405);(930.5496,0.02302302);(947.5564,0.01301301);(1091.5988,0.02702703);(1092.6017,0.01301301);(1109.6097,0.01201201)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(271.2424,0.01301301);(285.2579,0.01401401);(289.0919,0.07607608);(290.0947,0.01101101);(307.1024,0.01101101);(325.1129,1.0);(326.1162,0.12212212);(327.1177,0.03503504);(351.3042,0.02402402);(352.3072,0.01001001);(369.3151,0.03703704);(407.3673,0.56656657);(408.3705,0.15615616);(409.3764,0.02802803);(425.3778,0.57757758);(426.3813,0.17817818);(427.385,0.03503504);(443.3884,0.10510511);(444.3921,0.03203203);(487.1659,0.01201201);(515.3883,0.01001001);(533.3998,0.01601602);(551.4099,0.02302302);(569.4202,0.03603604);(570.4237,0.01401401);(587.4309,0.05705706);(588.4337,0.02502503);(605.442,0.05205205);(606.4447,0.01701702);(749.4847,0.01901902)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(289.0911,0.04104104);(325.1125,1.0);(326.1158,0.11411411);(327.117,0.02902903);(369.314,0.01301301);(407.3664,0.26226226);(408.3701,0.07707708);(409.3755,0.01501502);(425.3772,0.3003003);(426.3804,0.08908909);(427.3846,0.01501502);(443.3878,0.05105105);(444.3913,0.01701702);(487.1652,0.05505506);(488.1686,0.01101101);(569.42,0.02102102);(587.431,0.04104104);(588.4345,0.01401401);(605.4411,0.04904905);(606.4447,0.01601602);(749.4831,0.02102102)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(325.1124,0.58758759);(326.1158,0.08008008);(327.117,0.01601602);(343.1226,0.15315315);(344.1265,0.02602603);(407.3668,0.07507508);(408.3697,0.02402402);(425.3771,0.12312312);(426.3807,0.04204204);(443.3875,0.04704705);(444.3905,0.01601602);(451.1451,0.01201201);(487.1653,0.73573574);(488.1688,0.13213213);(489.1711,0.03303303);(505.1758,0.32032032);(506.1793,0.05405405);(507.1817,0.01401401);(523.1863,0.02102102);(587.4305,0.03403403);(588.4334,0.01601602);(605.4408,0.08308308);(606.4439,0.02802803);(613.1963,0.01001001);(649.2183,0.78578579);(650.2215,0.17217217);(651.2234,0.05305305);(667.2288,0.84984985);(668.2323,0.1971972);(669.2338,0.05705706);(685.2394,0.26826827);(686.2425,0.07007007);(686.4681,0.02502503);(686.9701,0.02102102);(687.2441,0.02002002);(687.4699,0.01201201);(749.4826,0.07107107);(750.4863,0.02802803);(767.4937,0.56956957);(767.996,0.06606607);(768.4973,0.21721722);(768.9992,0.01501502);(769.4999,0.06406406);(770.5024,0.01301301);(785.5039,0.27727728);(786.5077,0.11011011);(787.5099,0.03203203);(848.5206,0.05205205);(849.0228,0.04204204);(849.5235,0.02102102);(850.0259,0.01301301);(857.5249,0.02002002);(858.0264,0.01801802);(911.5349,0.02202202);(912.5388,0.01101101);(929.5462,0.2952953);(930.0486,0.06806807);(930.5492,0.14514515);(931.052,0.01901902);(931.552,0.04504505);(932.5552,0.01001001);(938.5521,0.12912913);(939.0543,0.12612613);(939.5563,0.06106106);(940.0579,0.03003003);(940.5581,0.01401401);(947.5565,0.19019019);(948.5596,0.08108108);(949.5628,0.03103103);(1073.5891,0.01301301);(1091.599,0.38938939);(1092.6024,0.18418418);(1093.6053,0.07207207);(1094.6088,0.01701702);(1109.6099,1.0);(1110.1129,0.04304304);(1110.6131,0.50850851);(1111.1146,0.01201201);(1111.6157,0.16916917);(1112.6188,0.04604605);(1113.6181,0.01001001)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(289.0909,0.02202202);(325.112,1.0);(326.1152,0.11111111);(327.1167,0.02402402);(343.1223,0.02302302);(407.366,0.16516517);(408.3695,0.04804805);(409.3752,0.01001001);(425.3766,0.20920921);(426.3799,0.06006006);(427.3838,0.01101101);(443.3872,0.04204204);(444.3903,0.01301301);(487.1646,0.21521522);(488.1678,0.03803804);(489.1692,0.01001001);(505.1754,0.01501502);(569.4185,0.01201201);(587.4293,0.04004004);(588.4331,0.01501502);(605.4397,0.04604605);(606.4432,0.01801802);(649.2171,0.02502503);(749.4818,0.02802803);(750.4855,0.01301301);(767.4922,0.02202202);(768.4954,0.01001001)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(61.02992,0.05305305);(81.07385,0.03703704);(84.90266,0.05305305);(85.02038,0.05705706);(85.03011,0.16016016);(87.04607,0.03903904);(94.62812,0.03903904);(97.0278,0.03903904);(97.1032,0.04604605);(100.07935,0.07907908);(103.02914,0.05905906);(109.09856,0.04604605);(113.02242,0.04404404);(123.11546,0.08808809);(127.02625,0.03903904);(127.03922,0.09409409);(135.1207,0.03903904);(137.09393,0.03903904);(137.12265,0.03903904);(145.04312,0.20820821);(145.04951,0.45745746);(145.0614,0.07007007);(146.05734,0.06306306);(147.11559,0.04604605);(149.13135,0.05905906);(163.05922,1.0);(164.06714,0.03703704);(165.74382,0.03703704);(187.15016,0.05005005);(189.15341,0.03503504);(189.15851,0.08808809);(191.18893,0.03703704);(215.17842,0.03703704);(217.19118,0.08108108);(231.20399,0.03703704);(259.23291,0.07407407);(265.20087,0.03903904);(271.07639,0.04804805);(271.24478,0.07707708);(283.02499,0.05305305);(289.08521,0.05305305);(289.09695,0.05305305);(325.11508,0.26326326);(325.30176,0.05305305);(355.31427,0.04404404);(393.29794,0.03703704);(407.37784,0.12512513);(407.40137,0.03903904);(408.38599,0.04404404);(425.39734,0.03903904);(437.3667,0.04404404);(443.38751,0.03903904);(444.39038,0.05005005);(534.43042,0.05005005);(588.43756,0.03703704)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(85.02004,0.01101101);(85.02754,0.01101101);(95.08957,0.01601602);(97.03025,0.01501502);(123.11163,0.01401401);(127.03799,0.03703704);(127.11417,0.01301301);(145.04802,0.02602603);(163.04922,0.04204204);(163.05902,0.14014014);(179.05801,0.02302302);(189.16963,0.01101101);(191.18402,0.01501502);(203.16837,0.01301301);(203.18568,0.01701702);(205.20476,0.01601602);(217.19583,0.05205205);(220.21175,0.01201201);(262.65298,0.01501502);(271.96582,0.01301301);(287.19553,0.02002002);(289.07089,0.01401401);(289.08469,0.06606607);(289.0957,0.02902903);(290.07526,0.01701702);(325.11475,1.0);(326.11542,0.15915916);(327.12045,0.04704705);(344.12128,0.01501502);(358.93155,0.01201201);(407.36911,0.12812813);(408.36606,0.03603604);(408.38028,0.01101101);(409.34845,0.01501502);(425.38278,0.08408408);(425.40494,0.01301301);(426.36777,0.01101101);(427.3844,0.01301301);(443.38437,0.03303303);(444.36819,0.01801802);(444.39423,0.02802803);(449.37289,0.01101101);(487.15131,0.02602603);(487.16714,0.05205205);(487.19904,0.01101101);(488.14261,0.01501502);(488.1705,0.01101101);(489.18024,0.01201201);(535.39093,0.01201201);(549.37646,0.02102102);(569.427,0.04304304);(571.44397,0.01401401);(587.409,0.01401401);(587.44019,0.03703704);(588.4118,0.01301301);(588.43085,0.02902903);(589.39948,0.01101101);(605.44818,0.03803804);(606.42218,0.01501502);(641.59973,0.01201201);(708.44629,0.01701702);(749.51984,0.01401401);(767.48749,0.01201201);(786.51257,0.01201201)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(71.01401,0.02902903);(85.02584,0.08608609);(85.03118,0.13313313);(95.08245,0.06706707);(97.03184,0.03703704);(97.10421,0.03703704);(103.01823,0.03403403);(109.03379,0.04504505);(109.10268,0.06006006);(121.09851,0.02902903);(123.10799,0.03003003);(123.11372,0.03003003);(123.12111,0.04404404);(127.03879,0.07907908);(128.03464,0.03703704);(133.09819,0.04204204);(135.11311,0.03003003);(145.04887,0.74174174);(146.06378,0.04004004);(146.37912,0.03403403);(147.11378,0.07407407);(149.94118,0.04404404);(150.1391,0.06206206);(154.00681,0.03003003);(163.02666,0.04504505);(163.06006,1.0);(163.07465,0.04704705);(163.15465,0.03503504);(164.04715,0.04004004);(164.06554,0.03403403);(165.06436,0.07007007);(179.1366,0.03003003);(180.14786,0.04404404);(189.16164,0.03003003);(189.17198,0.03403403);(191.11642,0.03903904);(191.17865,0.03703704);(201.1676,0.06006006);(203.18234,0.05505506);(207.17967,0.04504505);(216.18524,0.03003003);(217.12566,0.02902903);(217.19301,0.11611612);(217.20314,0.16116116);(217.21593,0.03403403);(227.14615,0.03503504);(245.1881,0.04204204);(247.25279,0.05005005);(259.08273,0.04404404);(269.23523,0.04204204);(281.21326,0.06006006);(283.24896,0.04904905);(285.25851,0.03403403);(287.20535,0.03403403);(289.07681,0.03003003);(289.10129,0.13313313);(295.24417,0.04504505);(313.2999,0.04204204);(325.11859,0.14614615);(325.28882,0.02902903);(326.12289,0.05205205);(349.08563,0.05005005);(351.29877,0.02902903);(351.92407,0.04404404);(357.02112,0.02902903);(407.34702,0.03703704);(407.37955,0.07607608);(407.38809,0.03203203);(408.39435,0.03403403);(409.39383,0.04004004);(425.36667,0.02902903);(425.38925,0.1981982);(427.37692,0.03503504);(443.39322,0.02902903);(533.38477,0.03003003);(534.4115,0.04904905);(605.43683,0.03003003)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(145.04605,0.06806807);(145.05499,0.02402402);(159.12111,0.01301301);(163.06108,0.15215215);(176.14522,0.01401401);(181.08218,0.01701702);(201.1133,0.01101101);(203.1731,0.01101101);(203.18257,0.01001001);(207.16737,0.02102102);(208.1833,0.01501502);(217.19589,0.03503504);(217.21024,0.01201201);(259.09018,0.01501502);(271.08344,0.02202202);(285.2569,0.01001001);(289.09094,0.08708709);(289.10953,0.01201201);(307.10086,0.01301301);(308.11172,0.01601602);(308.8826,0.01201201);(318.2746,0.01201201);(325.08652,0.01501502);(325.1131,1.0);(326.11493,0.08008008);(327.11508,0.01001001);(327.12619,0.01201201);(328.23743,0.01201201);(351.2951,0.01201201);(407.32825,0.01801802);(407.35617,0.04804805);(407.38052,0.07207207);(408.34628,0.01401401);(408.36673,0.04804805);(408.38861,0.01301301);(409.37756,0.01301301);(409.39206,0.01901902);(417.35135,0.01101101);(425.14905,0.01301301);(425.36853,0.1021021);(425.39017,0.01201201);(426.34607,0.01201201);(426.38083,0.02802803);(426.4017,0.01701702);(427.38589,0.01101101);(443.38687,0.03903904);(443.42776,0.01201201);(444.36456,0.01101101);(487.16016,0.04604605);(487.18607,0.04804805);(488.18875,0.01001001);(493.84912,0.01501502);(515.37872,0.01501502);(569.44629,0.01201201);(587.38861,0.01201201);(587.42938,0.03903904);(605.42633,0.03203203);(605.45184,0.03103103);(608.45367,0.01001001);(749.52094,0.01101101);(767.45758,0.01001001);(844.58929,0.02502503)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(145.04819,0.06006006);(163.05278,0.05705706);(163.06422,0.02602603);(164.06152,0.02902903);(165.05887,0.02602603);(187.99083,0.03903904);(189.17299,0.02802803);(207.17032,0.03103103);(215.17102,0.05405405);(219.22534,0.02902903);(223.08073,0.03103103);(227.18596,0.02602603);(248.20483,0.03303303);(271.07999,0.03403403);(285.13394,0.04804805);(289.09775,0.03103103);(289.11389,0.02802803);(325.05927,0.03403403);(325.108,1.0);(326.11118,0.16316316);(326.1232,0.16616617);(344.11093,0.05605606);(379.24429,0.03403403);(407.37302,0.05705706);(408.37195,0.03403403);(425.35748,0.02602603);(425.37363,0.05405405);(425.39142,0.06006006);(426.36752,0.06206206);(426.38156,0.03903904);(429.3924,0.03603604);(443.41855,0.03603604);(444.38376,0.05605606);(451.14746,0.03403403);(452.35657,0.03403403);(481.11044,0.02602603);(487.06711,0.03703704);(487.11905,0.03103103);(487.14697,0.18118118);(487.16983,0.15315315);(488.15897,0.07007007);(488.17838,0.06806807);(499.99512,0.03103103);(515.33673,0.03103103);(570.41144,0.03303303);(588.42596,0.03103103);(595.9632,0.03303303);(605.42151,0.02802803);(623.44971,0.03403403);(649.21265,0.08808809);(649.2406,0.03703704);(667.22754,0.26426426);(668.22266,0.02602603);(749.49493,0.05605606);(767.4574,0.03303303);(767.48602,0.04704705);(768.49713,0.08708709);(769.4939,0.02602603);(769.52002,0.05605606);(785.47974,0.07907908);(786.50757,0.08208208);(929.54425,0.04304304);(929.56415,0.02602603);(930.56268,0.02602603);(931.51715,0.03103103);(948.55945,0.02802803);(957.24512,0.03303303);(1091.58655,0.02902903);(1092.62085,0.06406406);(1109.60144,0.02802803);(1109.63159,0.02902903)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(181.08252,0.03803804);(325.09961,0.04504505);(325.13098,0.06006006);(343.08536,0.06006006);(343.12283,0.05805806);(343.1427,0.03803804);(407.32504,0.05505506);(425.37466,0.03603604);(429.8688,0.05305305);(443.397,0.03603604);(445.92545,0.04504505);(487.14972,0.15815816);(487.18057,0.04104104);(487.20792,0.04304304);(488.15045,0.05505506);(489.16986,0.04704705);(489.99371,0.04704705);(505.1713,0.22022022);(506.16058,0.04304304);(507.20078,0.04104104);(526.68622,0.03803804);(551.40887,0.03803804);(552.60443,0.03603604);(587.41925,0.04504505);(587.43823,0.06606607);(590.44128,0.04304304);(613.21332,0.03603604);(631.19769,0.05505506);(649.17664,0.05505506);(649.20605,0.28428428);(649.24738,0.07907908);(649.26501,0.05805806);(650.22504,0.06406406);(650.24481,0.09409409);(653.21289,0.03603604);(667.19427,0.17917918);(667.21875,0.2002002);(667.24341,0.1961962);(668.18213,0.03603604);(668.20319,0.03603604);(668.23901,0.15615616);(668.26642,0.1001001);(685.21423,0.03803804);(731.4693,0.03603604);(767.47565,0.14314314);(767.54413,0.09209209);(768.4751,0.0960961);(770.49561,0.04104104);(785.51636,0.13213213);(786.46466,0.04304304);(786.52399,0.04704705);(786.55017,0.12612613);(819.71436,0.03603604);(857.52637,0.15115115);(868.01959,0.04104104);(911.54858,0.03803804);(929.52771,0.05305305);(929.55804,0.1041041);(930.54742,0.03603604);(947.52173,0.03603604);(947.56012,0.04304304);(948.56708,0.04304304);(1091.54626,0.17517518);(1091.63293,0.04704705);(1092.43237,0.05305305);(1092.63965,0.03603604);(1105.05701,0.07707708);(1109.53845,0.16216216);(1109.61365,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(95.08483,0.02902903);(99.08069,0.01801802);(127.02763,0.02202202);(145.04573,0.03903904);(163.05701,0.10910911);(163.06636,0.07807808);(164.06334,0.04004004);(165.06444,0.01501502);(179.06265,0.03403403);(179.25903,0.01601602);(181.07823,0.01701702);(189.16309,0.01701702);(191.17787,0.01701702);(217.19727,0.02002002);(228.29831,0.03103103);(256.74991,0.02102102);(259.25662,0.03003003);(271.23831,0.01501502);(289.09109,0.01501502);(290.10117,0.02102102);(308.02298,0.01501502);(308.10168,0.01701702);(325.05835,0.02202202);(325.11279,1.0);(326.11255,0.03303303);(326.12454,0.08008008);(326.14432,0.01601602);(343.129,0.03903904);(350.24277,0.01701702);(363.28876,0.01701702);(407.36383,0.16816817);(407.38461,0.01701702);(408.35388,0.05005005);(408.37619,0.04104104);(408.40073,0.01501502);(409.34503,0.01601602);(425.36621,0.04704705);(425.3855,0.09009009);(426.37173,0.01501502);(426.39215,0.07107107);(443.38538,0.04604605);(444.37299,0.02002002);(476.91501,0.01801802);(487.14764,0.05405405);(487.1687,0.20720721);(488.15262,0.01501502);(504.62131,0.01701702);(505.17096,0.01901902);(506.16953,0.01501502);(509.3902,0.01701702);(533.39374,0.01701702);(539.40741,0.01701702);(570.43445,0.01901902);(587.37982,0.02102102);(587.42297,0.01601602);(587.43945,0.02002002);(588.4245,0.01701702);(605.42834,0.02902903);(605.48511,0.01801802);(606.4364,0.02002002);(607.44025,0.02402402);(649.19305,0.01901902);(649.2226,0.11411411);(650.24548,0.03203203);(667.21936,0.15315315);(668.20837,0.01501502);(668.2348,0.01501502);(685.23157,0.01501502);(749.47083,0.01501502);(749.51001,0.01501502);(750.48383,0.01801802);(767.49628,0.06606607);(767.52393,0.05805806);(768.46167,0.02002002);(768.48541,0.03403403);(768.51636,0.03203203);(769.49823,0.02102102);(785.5072,0.01901902);(786.47595,0.04504505);(859.53094,0.01601602);(929.5224,0.04804805);(929.59125,0.01501502);(930.50214,0.01501502);(930.55206,0.01501502);(930.59424,0.02502503);(947.53278,0.01501502);(947.58313,0.01501502);(948.50385,0.02202202);(948.55457,0.04104104);(948.65625,0.02402402);(949.54089,0.03703704);(1091.59106,0.01601602);(1092.58911,0.05005005);(1093.58411,0.01501502);(1094.62012,0.01501502);(1109.53809,0.01501502);(1109.61682,0.14914915)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(70.03249,0.04704705);(85.0165,0.04704705);(85.02992,0.07107107);(85.0341,0.03803804);(97.02763,0.05005005);(97.09965,0.04504505);(109.09988,0.04004004);(121.10184,0.05405405);(123.11902,0.04504505);(127.0363,0.13713714);(127.04326,0.13513514);(133.10265,0.08508509);(135.117,0.04304304);(145.04724,1.0);(146.04929,0.14714715);(146.10675,0.06406406);(148.12144,0.05005005);(161.12704,0.1041041);(161.13722,0.04304304);(163.0531,0.23923924);(163.06198,0.5955956);(163.14706,0.05205205);(164.06216,0.13913914);(167.145,0.04704705);(175.15427,0.04704705);(177.16701,0.04704705);(179.14644,0.05005005);(187.05716,0.11311311);(189.15392,0.04504505);(189.16238,0.04004004);(201.15909,0.05005005);(203.17625,0.12312312);(204.15796,0.04704705);(205.07828,0.04004004);(207.17308,0.13713714);(215.17804,0.04004004);(215.18665,0.05205205);(217.19063,0.08008008);(217.20049,0.14914915);(228.20114,0.04704705);(230.18721,0.07607608);(231.20895,0.06406406);(253.06032,0.04704705);(257.23764,0.04004004);(271.22104,0.04304304);(271.242,0.04704705);(275.03131,0.04004004);(289.08612,0.04004004);(297.25223,0.0950951);(325.11642,0.29129129);(369.32166,0.04004004);(406.97131,0.04304304);(407.36349,0.3973974);(408.36276,0.08708709);(408.42273,0.08308308);(411.37268,0.05705706);(425.37927,0.04304304);(426.38162,0.07107107);(426.39615,0.05205205);(443.38574,0.04004004);(473.37643,0.04704705);(557.40625,0.05205205)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(85.02766,0.02102102);(97.02586,0.01601602);(99.08004,0.01401401);(107.09174,0.02002002);(145.02567,0.01501502);(145.04886,0.01501502);(148.11964,0.02202202);(149.14154,0.02902903);(161.13675,0.01301301);(163.05017,0.02802803);(163.06082,0.14314314);(163.06752,0.03703704);(181.05978,0.01701702);(203.17606,0.01501502);(205.53685,0.01201201);(213.61493,0.01201201);(217.18719,0.01901902);(271.07675,0.02002002);(274.25638,0.01501502);(289.0918,0.01401401);(289.10144,0.01901902);(325.0593,0.03403403);(325.11215,1.0);(325.19632,0.01201201);(326.09692,0.01501502);(326.11594,0.07907908);(326.12442,0.04404404);(326.71698,0.01301301);(327.10229,0.02602603);(327.11118,0.01301301);(343.11169,0.01401401);(381.28296,0.01201201);(407.34668,0.01501502);(407.36539,0.07507508);(407.37888,0.03603604);(408.37421,0.06706707);(408.39374,0.01501502);(409.3382,0.01701702);(409.3873,0.01301301);(410.38455,0.01301301);(415.12845,0.01501502);(425.35175,0.02102102);(425.37723,0.04604605);(425.39761,0.01501502);(426.36652,0.02702703);(426.38367,0.03603604);(426.39987,0.02302302);(427.38565,0.01601602);(428.39462,0.01301301);(441.35654,0.01401401);(443.39645,0.03303303);(444.39203,0.01701702);(451.1257,0.01901902);(471.36191,0.01201201);(487.13943,0.04904905);(487.15955,0.03103103);(487.17847,0.03003003);(488.16571,0.01301301);(491.47964,0.01601602);(507.17209,0.01601602);(515.38007,0.01201201);(516.36755,0.01501502);(584.38507,0.01301301);(587.41418,0.04104104);(587.43396,0.05505506);(594.57581,0.01201201);(605.44464,0.03603604);(607.39752,0.01201201);(649.21014,0.01501502);(749.37201,0.01401401);(749.48163,0.02502503);(749.50159,0.02502503);(750.4928,0.01201201);(751.47131,0.02502503);(768.50409,0.01501502);(965.43115,0.01201201)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(325.11111,0.07507508);(343.12961,0.02802803);(408.36725,0.07807808);(422.52179,0.04604605);(425.36142,0.02802803);(425.38693,0.02802803);(451.12982,0.03303303);(487.1571,0.30830831);(488.1731,0.03403403);(505.16995,0.14714715);(506.17307,0.06706707);(507.17261,0.02802803);(575.91473,0.03403403);(587.43359,0.02802803);(649.16785,0.03303303);(649.22815,0.17817818);(650.19916,0.04204204);(667.22302,0.64264264);(667.26666,0.04404404);(668.23865,0.24424424);(669.23059,0.02902903);(767.4248,0.02802803);(767.49042,0.10610611);(767.534,0.02902903);(768.49182,0.03703704);(769.52057,0.03303303);(785.45087,0.09109109);(785.48572,0.07807808);(785.51953,0.09409409);(785.552,0.03303303);(786.50739,0.12412412);(787.5127,0.04404404);(848.49286,0.06006006);(911.52454,0.02802803);(911.55487,0.04904905);(929.54132,0.03403403);(930.52759,0.03603604);(930.56488,0.03103103);(931.57202,0.06406406);(947.54651,0.12512513);(948.52258,0.05505506);(998.9314,0.02802803);(1091.44556,0.06006006);(1091.54126,0.02902903);(1091.59326,0.03303303);(1091.62659,0.14514515);(1092.56372,0.02802803);(1092.61792,0.02902903);(1092.65198,0.05005005);(1093.57202,0.04604605);(1109.5592,0.21721722);(1109.61426,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(325.12177,0.07607608);(343.12665,0.06506507);(425.34915,0.08008008);(444.39761,0.07607608);(487.15298,0.08408408);(487.17151,0.31731732);(488.1499,0.07607608);(505.18005,0.07307307);(507.20868,0.06906907);(605.43561,0.08808809);(649.26355,0.06906907);(650.24457,0.06906907);(651.19061,0.06506507);(651.22705,0.06506507);(652.23895,0.06906907);(667.20667,0.16816817);(667.23108,0.34434434);(667.26593,0.10710711);(668.23041,0.08408408);(668.25092,0.11811812);(669.22302,0.16816817);(767.47131,0.06506507);(767.5058,0.60660661);(768.50073,0.07607608);(769.50171,0.11511512);(785.46039,0.08408408);(785.49695,0.06906907);(786.48798,0.10710711);(786.51355,0.25225225);(787.54407,0.0990991);(849.03119,0.08808809);(929.51495,0.34434434);(929.54663,0.23723724);(930.54114,0.06506507);(947.52484,0.13713714);(947.56854,0.0950951);(948.53052,0.07607608);(948.59332,0.17617618);(950.56079,0.14914915);(1091.59814,0.06506507);(1091.63147,0.14114114);(1091.75061,0.09209209);(1092.57349,0.06906907);(1092.60339,0.25225225);(1092.64282,0.12212212);(1093.4895,0.0950951);(1102.14148,0.09209209);(1109.57654,0.22922923);(1109.61987,1.0);(1109.65674,0.21021021)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(99.07951,0.01401401);(107.08062,0.02302302);(127.03938,0.02202202);(145.04803,0.08308308);(145.05544,0.03803804);(147.12254,0.01601602);(159.99384,0.01701702);(163.06009,0.18418418);(163.14885,0.02802803);(164.06097,0.01701702);(205.39621,0.03303303);(207.16922,0.01801802);(207.17677,0.04304304);(214.53423,0.03703704);(217.19853,0.02502503);(221.19545,0.02502503);(229.19641,0.01801802);(247.07993,0.03803804);(253.07191,0.03203203);(257.21655,0.01401401);(271.07547,0.01701702);(272.07541,0.01701702);(285.26346,0.01401401);(286.27103,0.02302302);(289.0799,0.02202202);(289.09351,0.03003003);(290.1055,0.01701702);(315.26367,0.01501502);(325.08829,0.02002002);(325.11407,1.0);(326.09549,0.01501502);(326.11267,0.12912913);(328.11136,0.01701702);(342.22311,0.01601602);(343.11829,0.04304304);(351.30554,0.02302302);(365.32452,0.02502503);(369.22452,0.01701702);(370.31863,0.01701702);(395.16983,0.01401401);(395.78839,0.01801802);(407.35641,0.18418418);(407.38333,0.04804805);(408.34363,0.01401401);(410.38495,0.01401401);(423.35522,0.01701702);(425.35553,0.07807808);(425.38635,0.04804805);(425.4061,0.01601602);(426.35165,0.01401401);(426.36987,0.03003003);(426.39413,0.03803804);(443.39529,0.1021021);(449.3718,0.01701702);(452.13797,0.02302302);(475.27322,0.01801802);(487.15964,0.09409409);(488.18945,0.01701702);(505.1539,0.01401401);(505.19299,0.02002002);(506.17554,0.01601602);(534.40094,0.01501502);(551.38458,0.01701702);(551.40424,0.01401401);(554.44653,0.01501502);(567.32587,0.01701702);(569.42377,0.01401401);(587.42596,0.04904905);(587.45557,0.02002002);(588.40826,0.01601602);(588.44299,0.01501502);(605.45374,0.03303303);(606.44391,0.01701702);(607.47205,0.01401401);(623.45258,0.01401401);(649.17572,0.02102102);(649.20673,0.02002002);(649.22498,0.04304304);(650.20996,0.05305305);(650.24194,0.01401401);(652.21582,0.01401401);(653.4408,0.01501502);(667.19836,0.01801802);(667.224,0.08608609);(667.27667,0.01801802);(668.24219,0.01701702);(669.24707,0.01401401);(686.23529,0.01401401);(749.48944,0.02802803);(751.49072,0.01401401);(767.43518,0.02102102);(767.49048,0.0950951);(767.5188,0.07907908);(768.45471,0.03903904);(768.50836,0.06406406);(769.52753,0.01501502);(785.49017,0.05305305);(786.4718,0.01401401);(786.5235,0.02902903);(911.49384,0.01501502);(929.51855,0.01701702);(930.5257,0.04104104);(948.56244,0.01601602);(1073.61462,0.01401401);(1091.59534,0.03603604);(1091.63098,0.04104104);(1092.60742,0.05005005);(1092.65356,0.01701702);(1109.54077,0.01601602);(1109.5874,0.05305305);(1109.62024,0.21021021)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(145.048,0.06);(163.053,0.057);(163.064,0.026);(164.062,0.029);(165.059,0.026);(187.991,0.039);(189.173,0.028);(207.17,0.031);(215.171,0.054);(219.225,0.029);(223.081,0.031);(227.186,0.026);(248.205,0.033);(271.08,0.034);(285.134,0.048);(289.098,0.031);(289.114,0.028);(325.059,0.034);(325.108,1.0);(326.111,0.163);(326.123,0.166);(344.111,0.056);(379.244,0.034);(407.373,0.057);(408.372,0.034);(425.357,0.026);(425.374,0.054);(425.391,0.06);(426.368,0.062);(426.382,0.039);(429.392,0.036);(443.419,0.036);(444.384,0.056);(451.147,0.034);(452.357,0.034);(481.11,0.026);(487.067,0.037);(487.119,0.031);(487.147,0.181);(487.17,0.153);(488.159,0.07);(488.178,0.068);(499.995,0.031);(515.337,0.031);(570.411,0.033);(588.426,0.031);(595.963,0.033);(605.422,0.028);(623.45,0.034);(649.213,0.088);(649.241,0.037);(667.228,0.264);(668.223,0.026);(749.495,0.056);(767.457,0.033);(767.486,0.047);(768.497,0.087);(769.494,0.026);(769.52,0.056);(785.48,0.079);(786.508,0.082);(929.544,0.043);(929.564,0.026);(930.563,0.026);(931.517,0.031);(948.559,0.028);(957.245,0.033);(1091.587,0.029);(1092.621,0.064);(1109.601,0.028);(1109.632,0.029)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(325.111,0.075);(343.13,0.028);(408.367,0.078);(422.522,0.046);(425.361,0.028);(425.387,0.028);(451.13,0.033);(487.157,0.308);(488.173,0.034);(505.17,0.147);(506.173,0.067);(507.173,0.028);(575.915,0.034);(587.434,0.028);(649.168,0.033);(649.228,0.178);(650.199,0.042);(667.223,0.643);(667.267,0.044);(668.239,0.244);(669.231,0.029);(767.425,0.028);(767.49,0.106);(767.534,0.029);(768.492,0.037);(769.521,0.033);(785.451,0.091);(785.486,0.078);(785.52,0.094);(785.552,0.033);(786.507,0.124);(787.513,0.044);(848.493,0.06);(911.525,0.028);(911.555,0.049);(929.541,0.034);(930.528,0.036);(930.565,0.031);(931.572,0.064);(947.547,0.125);(948.523,0.055);(998.931,0.028);(1091.446,0.06);(1091.541,0.029);(1091.593,0.033);(1091.627,0.145);(1092.564,0.028);(1092.618,0.029);(1092.652,0.05);(1093.572,0.046);(1109.559,0.217);(1109.614,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(85.02,0.011);(85.028,0.011);(95.09,0.016);(97.03,0.015);(123.112,0.014);(127.038,0.037);(127.114,0.013);(145.048,0.026);(163.049,0.042);(163.059,0.14);(179.058,0.023);(189.17,0.011);(191.184,0.015);(203.168,0.013);(203.186,0.017);(205.205,0.016);(217.196,0.052);(220.212,0.012);(262.653,0.015);(271.966,0.013);(287.196,0.02);(289.071,0.014);(289.085,0.066);(289.096,0.029);(290.075,0.017);(325.115,1.0);(326.115,0.159);(327.12,0.047);(344.121,0.015);(358.932,0.012);(407.369,0.128);(408.366,0.036);(408.38,0.011);(409.348,0.015);(425.383,0.084);(425.405,0.013);(426.368,0.011);(427.384,0.013);(443.384,0.033);(444.368,0.018);(444.394,0.028);(449.373,0.011);(487.151,0.026);(487.167,0.052);(487.199,0.011);(488.143,0.015);(488.17,0.011);(489.18,0.012);(535.391,0.012);(549.376,0.021);(569.427,0.043);(571.444,0.014);(587.409,0.014);(587.44,0.037);(588.412,0.013);(588.431,0.029);(589.399,0.011);(605.448,0.038);(606.422,0.015);(641.6,0.012);(708.446,0.017);(749.52,0.014);(767.487,0.012);(786.513,0.012)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(61.03,0.053);(81.074,0.037);(84.903,0.053);(85.02,0.057);(85.03,0.16);(87.046,0.039);(94.628,0.039);(97.028,0.039);(97.103,0.046);(100.079,0.079);(103.029,0.059);(109.099,0.046);(113.022,0.044);(123.115,0.088);(127.026,0.039);(127.039,0.094);(135.121,0.039);(137.094,0.039);(137.123,0.039);(145.043,0.208);(145.05,0.457);(145.061,0.07);(146.057,0.063);(147.116,0.046);(149.131,0.059);(163.059,1.0);(164.067,0.037);(165.744,0.037);(187.15,0.05);(189.153,0.035);(189.159,0.088);(191.189,0.037);(215.178,0.037);(217.191,0.081);(231.204,0.037);(259.233,0.074);(265.201,0.039);(271.076,0.048);(271.245,0.077);(283.025,0.053);(289.085,0.053);(289.097,0.053);(325.115,0.263);(325.302,0.053);(355.314,0.044);(393.298,0.037);(407.378,0.125);(407.401,0.039);(408.386,0.044);(425.397,0.039);(437.367,0.044);(443.388,0.039);(444.39,0.05);(534.43,0.05);(588.438,0.037)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(95.085,0.029);(99.081,0.018);(127.028,0.022);(145.046,0.039);(163.057,0.109);(163.066,0.078);(164.063,0.04);(165.064,0.015);(179.063,0.034);(179.259,0.016);(181.078,0.017);(189.163,0.017);(191.178,0.017);(217.197,0.02);(228.298,0.031);(256.75,0.021);(259.257,0.03);(271.238,0.015);(289.091,0.015);(290.101,0.021);(308.023,0.015);(308.102,0.017);(325.058,0.022);(325.113,1.0);(326.113,0.033);(326.125,0.08);(326.144,0.016);(343.129,0.039);(350.243,0.017);(363.289,0.017);(407.364,0.168);(407.385,0.017);(408.354,0.05);(408.376,0.041);(408.401,0.015);(409.345,0.016);(425.366,0.047);(425.386,0.09);(426.372,0.015);(426.392,0.071);(443.385,0.046);(444.373,0.02);(476.915,0.018);(487.148,0.054);(487.169,0.207);(488.153,0.015);(504.621,0.017);(505.171,0.019);(506.17,0.015);(509.39,0.017);(533.394,0.017);(539.407,0.017);(570.434,0.019);(587.38,0.021);(587.423,0.016);(587.439,0.02);(588.424,0.017);(605.428,0.029);(605.485,0.018);(606.436,0.02);(607.44,0.024);(649.193,0.019);(649.223,0.114);(650.245,0.032);(667.219,0.153);(668.208,0.015);(668.235,0.015);(685.232,0.015);(749.471,0.015);(749.51,0.015);(750.484,0.018);(767.496,0.066);(767.524,0.058);(768.462,0.02);(768.485,0.034);(768.516,0.032);(769.498,0.021);(785.507,0.019);(786.476,0.045);(859.531,0.016);(929.522,0.048);(929.591,0.015);(930.502,0.015);(930.552,0.015);(930.594,0.025);(947.533,0.015);(947.583,0.015);(948.504,0.022);(948.555,0.041);(948.656,0.024);(949.541,0.037);(1091.591,0.016);(1092.589,0.05);(1093.584,0.015);(1094.62,0.015);(1109.538,0.015);(1109.617,0.149)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(181.083,0.038);(325.1,0.045);(325.131,0.06);(343.085,0.06);(343.123,0.058);(343.143,0.038);(407.325,0.055);(425.375,0.036);(429.869,0.053);(443.397,0.036);(445.925,0.045);(487.15,0.158);(487.181,0.041);(487.208,0.043);(488.15,0.055);(489.17,0.047);(489.994,0.047);(505.171,0.22);(506.161,0.043);(507.201,0.041);(526.686,0.038);(551.409,0.038);(552.604,0.036);(587.419,0.045);(587.438,0.066);(590.441,0.043);(613.213,0.036);(631.198,0.055);(649.177,0.055);(649.206,0.284);(649.247,0.079);(649.265,0.058);(650.225,0.064);(650.245,0.094);(653.213,0.036);(667.194,0.179);(667.219,0.2);(667.243,0.196);(668.182,0.036);(668.203,0.036);(668.239,0.156);(668.266,0.1);(685.214,0.038);(731.469,0.036);(767.476,0.143);(767.544,0.092);(768.475,0.096);(770.496,0.041);(785.516,0.132);(786.465,0.043);(786.524,0.047);(786.55,0.126);(819.714,0.036);(857.526,0.151);(868.02,0.041);(911.549,0.038);(929.528,0.053);(929.558,0.104);(930.547,0.036);(947.522,0.036);(947.56,0.043);(948.567,0.043);(1091.546,0.175);(1091.633,0.047);(1092.432,0.053);(1092.64,0.036);(1105.057,0.077);(1109.538,0.162);(1109.614,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(145.046,0.068);(145.055,0.024);(159.121,0.013);(163.061,0.152);(176.145,0.014);(181.082,0.017);(201.113,0.011);(203.173,0.011);(203.183,0.01);(207.167,0.021);(208.183,0.015);(217.196,0.035);(217.21,0.012);(259.09,0.015);(271.083,0.022);(285.257,0.01);(289.091,0.087);(289.11,0.012);(307.101,0.013);(308.112,0.016);(308.883,0.012);(318.275,0.012);(325.087,0.015);(325.113,1.0);(326.115,0.08);(327.115,0.01);(327.126,0.012);(328.237,0.012);(351.295,0.012);(407.328,0.018);(407.356,0.048);(407.381,0.072);(408.346,0.014);(408.367,0.048);(408.389,0.013);(409.378,0.013);(409.392,0.019);(417.351,0.011);(425.149,0.013);(425.369,0.102);(425.39,0.012);(426.346,0.012);(426.381,0.028);(426.402,0.017);(427.386,0.011);(443.387,0.039);(443.428,0.012);(444.365,0.011);(487.16,0.046);(487.186,0.048);(488.189,0.01);(493.849,0.015);(515.379,0.015);(569.446,0.012);(587.389,0.012);(587.429,0.039);(605.426,0.032);(605.452,0.031);(608.454,0.01);(749.521,0.011);(767.458,0.01);(844.589,0.025)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(70.032,0.047);(85.016,0.047);(85.03,0.071);(85.034,0.038);(97.028,0.05);(97.1,0.045);(109.1,0.04);(121.102,0.054);(123.119,0.045);(127.036,0.137);(127.043,0.135);(133.103,0.085);(135.117,0.043);(145.047,1.0);(146.049,0.147);(146.107,0.064);(148.121,0.05);(161.127,0.104);(161.137,0.043);(163.053,0.239);(163.062,0.596);(163.147,0.052);(164.062,0.139);(167.145,0.047);(175.154,0.047);(177.167,0.047);(179.146,0.05);(187.057,0.113);(189.154,0.045);(189.162,0.04);(201.159,0.05);(203.176,0.123);(204.158,0.047);(205.078,0.04);(207.173,0.137);(215.178,0.04);(215.187,0.052);(217.191,0.08);(217.2,0.149);(228.201,0.047);(230.187,0.076);(231.209,0.064);(253.06,0.047);(257.238,0.04);(271.221,0.043);(271.242,0.047);(275.031,0.04);(289.086,0.04);(297.252,0.095);(325.116,0.291);(369.322,0.04);(406.971,0.043);(407.363,0.397);(408.363,0.087);(408.423,0.083);(411.373,0.057);(425.379,0.043);(426.382,0.071);(426.396,0.052);(443.386,0.04);(473.376,0.047);(557.406,0.052)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(99.08,0.014);(107.081,0.023);(127.039,0.022);(145.048,0.083);(145.055,0.038);(147.123,0.016);(159.994,0.017);(163.06,0.184);(163.149,0.028);(164.061,0.017);(205.396,0.033);(207.169,0.018);(207.177,0.043);(214.534,0.037);(217.199,0.025);(221.195,0.025);(229.196,0.018);(247.08,0.038);(253.072,0.032);(257.217,0.014);(271.075,0.017);(272.075,0.017);(285.263,0.014);(286.271,0.023);(289.08,0.022);(289.094,0.03);(290.106,0.017);(315.264,0.015);(325.088,0.02);(325.114,1.0);(326.095,0.015);(326.113,0.129);(328.111,0.017);(342.223,0.016);(343.118,0.043);(351.306,0.023);(365.325,0.025);(369.225,0.017);(370.319,0.017);(395.17,0.014);(395.788,0.018);(407.356,0.184);(407.383,0.048);(408.344,0.014);(410.385,0.014);(423.355,0.017);(425.356,0.078);(425.386,0.048);(425.406,0.016);(426.352,0.014);(426.37,0.03);(426.394,0.038);(443.395,0.102);(449.372,0.017);(452.138,0.023);(475.273,0.018);(487.16,0.094);(488.189,0.017);(505.154,0.014);(505.193,0.02);(506.176,0.016);(534.401,0.015);(551.385,0.017);(551.404,0.014);(554.447,0.015);(567.326,0.017);(569.424,0.014);(587.426,0.049);(587.456,0.02);(588.408,0.016);(588.443,0.015);(605.454,0.033);(606.444,0.017);(607.472,0.014);(623.453,0.014);(649.176,0.021);(649.207,0.02);(649.225,0.043);(650.21,0.053);(650.242,0.014);(652.216,0.014);(653.441,0.015);(667.198,0.018);(667.224,0.086);(667.277,0.018);(668.242,0.017);(669.247,0.014);(686.235,0.014);(749.489,0.028);(751.491,0.014);(767.435,0.021);(767.49,0.095);(767.519,0.079);(768.455,0.039);(768.508,0.064);(769.528,0.015);(785.49,0.053);(786.472,0.014);(786.524,0.029);(911.494,0.015);(929.519,0.017);(930.526,0.041);(948.562,0.016);(1073.615,0.014);(1091.595,0.036);(1091.631,0.041);(1092.607,0.05);(1092.654,0.017);(1109.541,0.016);(1109.587,0.053);(1109.62,0.21)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(325.122,0.076);(343.127,0.065);(425.349,0.08);(444.398,0.076);(487.153,0.084);(487.172,0.317);(488.15,0.076);(505.18,0.073);(507.209,0.069);(605.436,0.088);(649.264,0.069);(650.245,0.069);(651.191,0.065);(651.227,0.065);(652.239,0.069);(667.207,0.168);(667.231,0.344);(667.266,0.107);(668.23,0.084);(668.251,0.118);(669.223,0.168);(767.471,0.065);(767.506,0.607);(768.501,0.076);(769.502,0.115);(785.46,0.084);(785.497,0.069);(786.488,0.107);(786.514,0.252);(787.544,0.099);(849.031,0.088);(929.515,0.344);(929.547,0.237);(930.541,0.065);(947.525,0.137);(947.569,0.095);(948.531,0.076);(948.593,0.176);(950.561,0.149);(1091.598,0.065);(1091.631,0.141);(1091.751,0.092);(1092.573,0.069);(1092.603,0.252);(1092.643,0.122);(1093.49,0.095);(1102.141,0.092);(1109.577,0.229);(1109.62,1.0);(1109.657,0.21)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(85.028,0.021);(97.026,0.016);(99.08,0.014);(107.092,0.02);(145.026,0.015);(145.049,0.015);(148.12,0.022);(149.142,0.029);(161.137,0.013);(163.05,0.028);(163.061,0.143);(163.068,0.037);(181.06,0.017);(203.176,0.015);(205.537,0.012);(213.615,0.012);(217.187,0.019);(271.077,0.02);(274.256,0.015);(289.092,0.014);(289.101,0.019);(325.059,0.034);(325.112,1.0);(325.196,0.012);(326.097,0.015);(326.116,0.079);(326.124,0.044);(326.717,0.013);(327.102,0.026);(327.111,0.013);(343.112,0.014);(381.283,0.012);(407.347,0.015);(407.365,0.075);(407.379,0.036);(408.374,0.067);(408.394,0.015);(409.338,0.017);(409.387,0.013);(410.385,0.013);(415.128,0.015);(425.352,0.021);(425.377,0.046);(425.398,0.015);(426.367,0.027);(426.384,0.036);(426.4,0.023);(427.386,0.016);(428.395,0.013);(441.357,0.014);(443.396,0.033);(444.392,0.017);(451.126,0.019);(471.362,0.012);(487.139,0.049);(487.16,0.031);(487.178,0.03);(488.166,0.013);(491.48,0.016);(507.172,0.016);(515.38,0.012);(516.368,0.015);(584.385,0.013);(587.414,0.041);(587.434,0.055);(594.576,0.012);(605.445,0.036);(607.398,0.012);(649.21,0.015);(749.372,0.014);(749.482,0.025);(749.502,0.025);(750.493,0.012);(751.471,0.025);(768.504,0.015);(965.431,0.012)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(71.014,0.029);(85.026,0.086);(85.031,0.133);(95.082,0.067);(97.032,0.037);(97.104,0.037);(103.018,0.034);(109.034,0.045);(109.103,0.06);(121.099,0.029);(123.108,0.03);(123.114,0.03);(123.121,0.044);(127.039,0.079);(128.035,0.037);(133.098,0.042);(135.113,0.03);(145.049,0.742);(146.064,0.04);(146.379,0.034);(147.114,0.074);(149.941,0.044);(150.139,0.062);(154.007,0.03);(163.027,0.045);(163.06,1.0);(163.075,0.047);(163.155,0.035);(164.047,0.04);(164.066,0.034);(165.064,0.07);(179.137,0.03);(180.148,0.044);(189.162,0.03);(189.172,0.034);(191.116,0.039);(191.179,0.037);(201.168,0.06);(203.182,0.055);(207.18,0.045);(216.185,0.03);(217.126,0.029);(217.193,0.116);(217.203,0.161);(217.216,0.034);(227.146,0.035);(245.188,0.042);(247.253,0.05);(259.083,0.044);(269.235,0.042);(281.213,0.06);(283.249,0.049);(285.259,0.034);(287.205,0.034);(289.077,0.03);(289.101,0.133);(295.244,0.045);(313.3,0.042);(325.119,0.146);(325.289,0.029);(326.123,0.052);(349.086,0.05);(351.299,0.029);(351.924,0.044);(357.021,0.029);(407.347,0.037);(407.38,0.076);(407.388,0.032);(408.394,0.034);(409.394,0.04);(425.367,0.029);(425.389,0.198);(427.377,0.035);(443.393,0.029);(533.385,0.03);(534.412,0.049);(605.437,0.03)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(325.112,0.587);(326.116,0.081);(327.117,0.016);(343.123,0.153);(344.126,0.026);(407.367,0.075);(408.37,0.024);(425.377,0.123);(426.381,0.042);(443.388,0.047);(444.39,0.016);(451.145,0.012);(487.165,0.735);(488.169,0.132);(489.171,0.033);(505.176,0.32);(506.179,0.054);(507.182,0.014);(523.186,0.021);(587.43,0.034);(588.433,0.016);(605.441,0.083);(606.444,0.028);(613.196,0.01);(649.218,0.786);(650.222,0.172);(651.223,0.053);(667.229,0.85);(668.232,0.197);(669.234,0.057);(685.239,0.268);(686.242,0.07);(686.468,0.025);(686.97,0.021);(687.244,0.02);(687.47,0.012);(749.483,0.071);(750.486,0.029);(767.494,0.569);(767.996,0.066);(768.497,0.218);(768.999,0.015);(769.5,0.064);(770.502,0.013);(785.504,0.277);(786.508,0.11);(787.51,0.032);(848.521,0.052);(849.023,0.042);(849.524,0.021);(850.026,0.013);(857.525,0.02);(858.026,0.018);(911.535,0.022);(912.539,0.011);(929.546,0.295);(930.049,0.068);(930.549,0.145);(931.052,0.019);(931.552,0.045);(932.555,0.01);(938.552,0.129);(939.054,0.126);(939.556,0.061);(940.058,0.03);(940.558,0.014);(947.556,0.19);(948.56,0.081);(949.563,0.031);(1073.589,0.013);(1091.599,0.39);(1092.602,0.184);(1093.605,0.072);(1094.609,0.017);(1109.61,1.0);(1110.113,0.043);(1110.613,0.509);(1111.115,0.012);(1111.616,0.169);(1112.619,0.046);(1113.618,0.01)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(289.091,0.015);(325.112,1.0);(326.116,0.115);(327.117,0.024);(343.123,0.087);(344.126,0.01);(407.366,0.148);(408.37,0.048);(409.377,0.011);(425.377,0.245);(426.381,0.076);(427.386,0.014);(443.388,0.063);(444.391,0.02);(451.144,0.017);(487.165,0.798);(488.169,0.131);(489.17,0.031);(505.176,0.111);(506.179,0.02);(569.42,0.012);(587.431,0.056);(588.434,0.021);(605.441,0.092);(606.445,0.031);(649.218,0.285);(650.222,0.062);(651.224,0.021);(667.229,0.089);(668.232,0.024);(749.483,0.069);(750.486,0.031);(767.494,0.188);(768.497,0.069);(769.5,0.025);(785.504,0.044);(786.507,0.018);(911.535,0.013);(929.546,0.054);(930.55,0.023);(947.556,0.013);(1091.599,0.027);(1092.602,0.013);(1109.61,0.012)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(289.091,0.022);(325.112,1.0);(326.115,0.111);(327.117,0.024);(343.122,0.023);(407.366,0.165);(408.37,0.048);(409.375,0.01);(425.377,0.209);(426.38,0.06);(427.384,0.011);(443.387,0.042);(444.39,0.013);(487.165,0.215);(488.168,0.038);(489.169,0.01);(505.175,0.015);(569.418,0.012);(587.429,0.04);(588.433,0.015);(605.44,0.046);(606.443,0.019);(649.217,0.025);(749.482,0.028);(750.486,0.013);(767.492,0.022);(768.495,0.01)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(289.091,0.041);(325.112,1.0);(326.116,0.114);(327.117,0.029);(369.314,0.013);(407.366,0.263);(408.37,0.077);(409.376,0.015);(425.377,0.3);(426.38,0.089);(427.385,0.015);(443.388,0.051);(444.391,0.017);(487.165,0.055);(488.169,0.011);(569.42,0.021);(587.431,0.041);(588.434,0.014);(605.441,0.049);(606.445,0.016);(749.483,0.021)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(271.242,0.013);(285.258,0.014);(289.092,0.076);(290.095,0.011);(307.102,0.011);(325.113,1.0);(326.116,0.122);(327.118,0.035);(351.304,0.024);(352.307,0.01);(369.315,0.037);(407.367,0.566);(408.37,0.156);(409.376,0.028);(425.378,0.578);(426.381,0.178);(427.385,0.035);(443.388,0.105);(444.392,0.032);(487.166,0.013);(515.388,0.01);(533.4,0.016);(551.41,0.023);(569.42,0.036);(570.424,0.014);(587.431,0.057);(588.434,0.025);(605.442,0.052);(606.445,0.017);(749.485,0.019)

Food Sources

	Name	Group
	Ginseng	Herbs and Spices	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
Ginsenoside Rb1	Ginsenoside Rg3	human	plasma	non-enzymatic	Not Available	Not Available	Not Available	C₄₂H₇₂O₁₃	784.497292378	Publications
Ginsenoside Rb1	Protopanaxadiol	human	plasma	gut microbiota metabolite	Not Available	Not Available	Not Available	C₃₀H₅₂O₃	460.391645534	Publications
Ginsenoside Rb1	Ginsenoside Rh2	human	plasma	gut microbiota metabolite	Not Available	Not Available	Not Available	C₃₆H₆₂O₈	622.444468956	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

Back

Showing entry for Ginsenoside Rb1

Identification

Structure for Ginsenoside Rb1

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Classyfire Taxonomy

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism