PhytoHub: Showing entry for Solasodine

Solasodine

Identification

PhytoHub ID

PHUB000853

Name

Solasodine

Systematic Name

Not Available

Synonyms

Purpapuridine
Solancarpidine
Solasodine-S

CAS Number

Not Available

Average Mass

413.646

Monoisotopic Mass

413.329379629

Chemical Formula

C₂₇H₄₃NO₂

IUPAC Name

(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-18-en-16-ol

InChI Key

KWVISVAMQJWJSZ-VKROHFNGSA-N

InChI Identifier

InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CN1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 8.38e-04 g/l
LogS (ALOGPS): -5.69
LogP (ALOGPS): 4.45
Hydrogen Acceptors: 3
Hydrogen Donors: 2
Rotatable Bond Count: 0
Polar Surface Area: 41.49
Refractivity: 121.94679999999998
Polarizability: 51.2137526486294
Formal Charge: 0
Physiological Charge: 1
pKa (strongest basic): 9.5416478856025
pKa (strongest acidic): 18.204289505503816
Number of Rings: 6
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 9190
PubChem: 442985
MetaboLights: MTBLC9190
PeakForestCompound: 000653

Taxonomy as Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Steroids and steroid derivatives
Super-class: Lipids and lipid-like molecules
Sub-class: Steroidal alkaloids
Direct Parent Name: Spirosolanes and derivatives
Alternative Parent Names: ["3-beta-hydroxy delta-5-steroids", "3-beta-hydroxysteroids", "Alkaloids and derivatives", "Azacyclic compounds", "Azaspirodecane derivatives", "Azasteroids and derivatives", "Cyclic alcohols and derivatives", "Delta-5-steroids", "Dialkylamines", "Hemiaminals", "Hydrocarbon derivatives", "Organopnictogen compounds", "Oxacyclic compounds", "Piperidines", "Secondary alcohols", "Tetrahydrofurans"]
External Descriptor Annotations: ["Solanidines and alkaloid derivatives", "Steroidal alkaloids", "alkaloid antibiotic", "azaspiro compound", "oxaspiro compound", "steroid"]
Substituent Names: ["3-beta-hydroxy-delta-5-steroid", "3-beta-hydroxysteroid", "3-hydroxy-delta-5-steroid", "3-hydroxysteroid", "Alcohol", "Aliphatic heteropolycyclic compound", "Alkaloid or derivatives", "Amine", "Azacycle", "Azaspirodecane", "Azasteroid", "Cyclic alcohol", "Delta-5-steroid", "Hemiaminal", "Hydrocarbon derivative", "Hydroxysteroid", "Organic nitrogen compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Oxacycle", "Piperidine", "Secondary alcohol", "Secondary aliphatic amine", "Secondary amine", "Spirosolane skeleton", "Tetrahydrofuran"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0542,0.01401401);(58.065,0.00900901);(65.0386,0.00800801);(67.0542,0.28628629);(68.0494,0.01401401);(69.0699,0.08208208);(70.0651,0.44644645);(77.0387,0.01901902);(79.0543,0.33633634);(80.0495,0.02102102);(81.0699,0.3973974);(82.0651,0.04404404);(83.0493,0.00800801);(83.0853,0.01301301);(84.0807,0.02502503);(86.0964,0.02302302);(91.0543,0.44344344);(93.0699,0.57657658);(94.0651,0.03803804);(95.0493,0.02202202);(95.073,0.05705706);(95.0855,0.38438438);(96.0808,0.08508509);(97.0649,0.02102102);(98.0964,0.04604605);(105.0699,0.6966967);(107.0855,0.44344344);(108.0807,0.04604605);(109.0648,0.01901902);(109.0886,0.04004004);(109.1012,0.27227227);(110.0965,0.04104104);(111.104,0.01601602);(114.0913,0.03903904);(115.0542,0.02602603);(117.0699,0.26026026);(118.0779,0.01901902);(119.0856,0.34934935);(120.081,0.00800801);(121.1012,0.28528529);(122.0964,0.05905906);(123.1168,0.01801802);(124.1121,0.42742743);(125.12,0.03803804);(126.1278,0.23023023);(128.0622,0.05705706);(129.0699,0.23423423);(130.0776,0.06406406);(131.0855,0.48848849);(133.1012,0.62662663);(134.0968,0.01201201);(135.1044,0.00700701);(135.1168,0.04104104);(136.112,0.03703704);(138.1276,0.02202202);(141.0698,0.07407407);(142.0777,0.32232232);(143.0855,0.2962963);(144.0931,0.1011011);(145.1012,0.42342342);(147.1169,0.43243243);(148.1121,0.07807808);(149.1197,0.01501502);(150.1278,0.15215215);(152.1432,0.01401401);(153.0698,0.00900901);(154.0774,0.01401401);(155.0856,0.12112112);(156.0932,0.05205205);(157.1012,1.0);(159.1169,0.52852853);(161.1328,0.02402402);(162.1278,0.08108108);(163.1353,0.01401401);(164.1434,0.1041041);(167.0855,0.02302302);(168.0933,0.03203203);(169.1012,0.15915916);(171.1169,0.18518519);(173.1325,0.08308308);(174.1275,0.00900901);(175.1119,0.06706707);(176.1435,0.02802803);(178.1592,0.01401401);(181.1011,0.04004004);(182.1091,0.05505506);(183.1168,0.17017017);(185.1325,0.09109109);(188.1437,0.00700701);(195.117,0.04104104);(196.1248,0.05105105);(197.1325,0.15415415);(198.1408,0.02502503);(199.1482,0.03203203);(202.1586,0.01301301);(203.1673,0.01401401);(204.1747,0.03103103);(209.1324,0.05005005);(210.1407,0.01101101);(211.1481,0.12112112);(213.1639,0.01501502);(216.1746,0.01601602);(218.19,0.00800801);(223.1482,0.06806807);(224.1569,0.02902903);(225.1644,0.03003003);(238.1717,0.04204204);(253.195,0.06806807);(366.2781,0.00800801);(380.2944,0.04504505);(396.3256,0.03303303)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0542,0.00700701);(67.0542,0.08008008);(69.0699,0.03003003);(70.0651,0.30630631);(79.0542,0.08008008);(80.0494,0.00500501);(81.0699,0.17417417);(83.0854,0.01401401);(84.0808,0.00800801);(86.0963,0.01301301);(91.0542,0.05105105);(93.0699,0.1961962);(95.0491,0.01501502);(95.0855,0.18918919);(96.0808,0.05205205);(97.0647,0.02402402);(98.0964,0.04704705);(105.0699,0.13113113);(107.0855,0.33233233);(109.1011,0.48748749);(114.0913,0.15315315);(117.0699,0.04404404);(119.0855,0.16516517);(121.1011,0.44644645);(123.0803,0.01001001);(123.1168,0.03803804);(124.1121,0.55455455);(125.1197,0.01901902);(126.1277,0.52852853);(129.0699,0.03403403);(131.0855,0.2012012);(133.1012,0.52852853);(135.1167,0.08608609);(136.1124,0.00700701);(137.096,0.01401401);(138.1278,0.01101101);(141.0697,0.01201201);(142.0778,0.00700701);(143.0855,0.11911912);(145.1012,0.36536537);(147.1168,0.58558559);(149.0961,0.03003003);(149.1325,0.01901902);(150.1276,0.03603604);(151.1117,0.09309309);(152.1433,0.01001001);(155.0856,0.03603604);(157.1011,0.97197197);(159.1168,0.64764765);(161.0959,0.02102102);(161.1325,0.05105105);(162.1277,0.01501502);(163.1119,0.04904905);(164.1433,0.06606607);(169.1011,0.04404404);(171.1168,0.23223223);(173.1325,0.15015015);(175.1117,0.37137137);(177.1273,0.04404404);(178.1591,0.01201201);(182.1097,0.00600601);(183.1168,0.0970971);(185.1324,0.12412412);(187.1479,0.02602603);(189.1277,0.00600601);(196.1251,0.00700701);(197.1324,0.18218218);(199.1482,0.03203203);(201.1639,0.00900901);(209.1321,0.01001001);(211.1481,0.18618619);(213.1638,0.08508509);(223.1484,0.01101101);(224.1561,0.04804805);(225.1638,0.08508509);(238.1717,0.04404404);(242.1663,0.01401401);(253.195,1.0);(271.2055,0.19019019);(380.2954,0.00600601);(396.3259,0.62562563);(414.3363,0.14314314)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0541,0.01701702);(65.0385,0.01201201);(67.0542,0.33233233);(68.0493,0.02002002);(69.0698,0.09309309);(70.0651,0.45545546);(77.0386,0.08908909);(79.0542,0.4974975);(80.0494,0.06706707);(81.0698,0.38038038);(82.0651,0.07207207);(83.0493,0.01001001);(84.0807,0.03203203);(86.0963,0.01901902);(91.0542,0.8968969);(92.0617,0.01101101);(93.0698,0.4984985);(94.0651,0.1021021);(95.0491,0.03103103);(95.0728,0.08108108);(95.0855,0.23023023);(96.0808,0.09309309);(98.0964,0.03503504);(103.0542,0.03803804);(105.0698,1.0);(107.0726,0.01401401);(107.0855,0.22722723);(108.0808,0.0970971);(109.065,0.01001001);(109.0886,0.05605606);(109.1011,0.0960961);(110.0964,0.06406406);(111.1041,0.01401401);(114.0913,0.01301301);(115.0541,0.12112112);(116.062,0.05505506);(117.0698,0.33333333);(118.0776,0.04104104);(119.0855,0.33333333);(120.0807,0.01901902);(121.101,0.08108108);(122.0964,0.07007007);(124.112,0.19019019);(125.1202,0.02202202);(126.1277,0.07507508);(128.062,0.22022022);(129.0698,0.42942943);(130.0776,0.13113113);(131.0854,0.40640641);(133.1011,0.27727728);(134.0962,0.02902903);(135.1042,0.01201201);(135.1164,0.01001001);(136.112,0.04304304);(138.1279,0.01001001);(141.0698,0.22322322);(142.0776,0.5985986);(143.0852,0.24524525);(144.0932,0.13113113);(145.1011,0.2032032);(147.1167,0.15515516);(148.112,0.0950951);(149.1197,0.01701702);(150.1277,0.18318318);(153.0697,0.03703704);(154.0775,0.03503504);(155.0855,0.18118118);(156.0931,0.08008008);(157.1011,0.36836837);(159.1168,0.11411411);(162.1278,0.07407407);(164.1432,0.04304304);(167.0854,0.08708709);(168.0932,0.05605606);(169.1012,0.12312312);(171.1165,0.05505506);(173.1326,0.01601602);(176.1436,0.02002002);(181.101,0.08008008);(182.1087,0.04904905);(183.1167,0.10810811);(185.1321,0.01801802);(188.1433,0.02302302);(195.1166,0.03903904);(196.1249,0.02502503);(197.1322,0.06706707);(202.1592,0.02502503);(204.1748,0.02002002);(209.1327,0.04004004);(211.1485,0.01701702);(223.148,0.04904905)
LC-MS/MS	LC-ESI-ITFT	Positive	medium	View Spectrum	(70.065,0.00900901);(81.0702,0.001001);(95.0858,0.001001);(96.0808,0.001001);(105.0702,0.001001);(107.0855,0.004004);(109.1011,0.00700701);(114.0912,0.02902903);(119.0852,0.001001);(121.1011,0.00900901);(124.112,0.01101101);(126.1276,0.02302302);(127.1116,0.002002);(131.0854,0.002002);(133.1012,0.004004);(135.1172,0.001001);(143.0853,0.001001);(144.1382,0.003003);(145.101,0.002002);(147.1168,0.00800801);(151.1116,0.004004);(157.101,0.01001001);(159.1168,0.00700701);(163.1111,0.001001);(171.1166,0.003003);(173.1321,0.001001);(175.1118,0.00700701);(183.1159,0.001001);(197.1323,0.002002);(211.1484,0.001001);(213.1633,0.002002);(225.1628,0.001001);(253.1949,0.06206206);(271.2054,0.09109109);(396.3258,0.08908909);(414.3362,1.0)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0543,0.01601602);(67.0542,0.12312312);(69.0699,0.03703704);(70.0651,0.38038038);(79.0543,0.11311311);(80.0495,0.00700701);(81.0699,0.2002002);(82.0651,0.00900901);(83.0494,0.00900901);(83.0855,0.01801802);(84.081,0.00800801);(86.0965,0.02802803);(91.0543,0.11011011);(93.0699,0.24824825);(95.0495,0.01401401);(95.0856,0.24224224);(96.0808,0.05205205);(97.0649,0.02002002);(98.0966,0.03403403);(105.0699,0.23123123);(107.0856,0.36436436);(108.0808,0.00900901);(109.0886,0.01801802);(109.1012,0.36136136);(114.0914,0.08308308);(115.054,0.00900901);(117.0699,0.08008008);(119.0856,0.18118118);(121.1013,0.37237237);(122.0963,0.01401401);(123.1169,0.03703704);(124.1122,0.38938939);(125.1199,0.02202202);(126.1278,0.26726727);(129.07,0.08208208);(131.0856,0.25525526);(133.1013,0.54154154);(135.117,0.06406406);(141.0696,0.02002002);(142.0779,0.05105105);(143.0857,0.15715716);(144.0933,0.01601602);(145.1013,0.38038038);(147.1169,0.52252252);(148.1122,0.01301301);(149.0964,0.01301301);(149.1328,0.01001001);(150.1279,0.05505506);(151.1117,0.04204204);(152.1431,0.01701702);(155.0857,0.05705706);(156.0937,0.00600601);(157.1013,1.0);(159.117,0.60760761);(161.0968,0.01001001);(161.1326,0.03703704);(162.128,0.01701702);(163.1119,0.01501502);(164.1435,0.07107107);(169.1013,0.05705706);(171.1169,0.18818819);(173.1326,0.11911912);(175.1119,0.22222222);(176.1435,0.01001001);(177.1274,0.01701702);(178.1582,0.01301301);(182.1088,0.01401401);(183.117,0.11911912);(184.1248,0.01101101);(185.1326,0.11311311);(187.1484,0.00900901);(196.1247,0.01601602);(197.1325,0.18618619);(198.1403,0.01201201);(199.1483,0.03703704);(209.1323,0.02002002);(211.1482,0.17317317);(212.1563,0.03103103);(213.1639,0.03803804);(216.1747,0.01001001);(223.1484,0.02902903);(224.1559,0.05105105);(225.1639,0.07307307);(227.1801,0.01201201);(238.1715,0.05205205);(242.1667,0.01001001);(253.1952,0.38638639);(271.2057,0.03603604);(380.2949,0.01601602);(396.3261,0.1971972)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0541,0.02302302);(58.065,0.00900901);(67.0542,0.34934935);(68.0495,0.02102102);(69.0698,0.08308308);(70.0651,0.56156156);(77.0386,0.04704705);(79.0542,0.45145145);(80.0494,0.05005005);(81.0699,0.44644645);(82.0651,0.06906907);(83.049,0.01401401);(83.0855,0.01901902);(84.0807,0.03703704);(86.0964,0.02602603);(91.0542,0.66566567);(93.0698,0.68368368);(94.0652,0.05105105);(95.0491,0.02702703);(95.0729,0.08208208);(95.0855,0.40940941);(96.0808,0.11211211);(97.0647,0.02002002);(98.0964,0.04804805);(103.0541,0.01301301);(105.0699,1.0);(107.0855,0.46246246);(108.0807,0.07407407);(109.0647,0.01901902);(109.0886,0.06706707);(109.1011,0.26126126);(110.0965,0.04404404);(111.1041,0.02102102);(114.0913,0.03103103);(115.0542,0.04104104);(116.0622,0.02602603);(117.0698,0.33433433);(118.0776,0.03003003);(119.0855,0.41241241);(121.1011,0.24824825);(122.0964,0.08208208);(123.1166,0.01901902);(124.112,0.42142142);(125.1199,0.04704705);(126.1277,0.22222222);(128.062,0.11811812);(129.0698,0.34634635);(130.0777,0.1041041);(131.0855,0.59459459);(133.1011,0.62862863);(134.0965,0.02002002);(135.1167,0.02902903);(136.112,0.04604605);(138.1276,0.02202202);(141.0699,0.11211211);(142.0777,0.48548549);(143.0854,0.34134134);(144.0931,0.14414414);(145.1011,0.44844845);(147.1168,0.44044044);(148.112,0.1011011);(149.1198,0.02802803);(150.1277,0.2022022);(152.1435,0.01601602);(153.0693,0.01401401);(154.0774,0.02602603);(155.0855,0.17817818);(156.0929,0.07807808);(157.1011,0.96196196);(159.1168,0.44444444);(161.1325,0.01601602);(162.1277,0.0980981);(163.1348,0.01601602);(164.1433,0.12412412);(167.0855,0.04904905);(168.0937,0.04504505);(169.1011,0.18818819);(171.1168,0.18118118);(173.1326,0.06706707);(174.1277,0.01101101);(175.1118,0.03403403);(176.1433,0.02302302);(178.1589,0.01801802);(181.1012,0.07707708);(182.109,0.06906907);(183.1168,0.18418418);(185.1325,0.07907908);(188.1433,0.01601602);(190.1592,0.01401401);(195.1165,0.03803804);(196.1247,0.05705706);(197.1324,0.14314314);(198.1405,0.02002002);(199.1475,0.01401401);(202.1593,0.02802803);(203.1672,0.02002002);(204.1749,0.03603604);(209.1321,0.05505506);(211.1481,0.08608609);(212.1568,0.03103103);(213.1643,0.00800801);(216.175,0.02502503);(218.1911,0.00900901);(223.148,0.08708709);(224.1568,0.02902903);(225.1637,0.02702703);(237.1639,0.01501502);(238.1711,0.04204204);(253.195,0.02602603);(366.2804,0.00800801);(380.2948,0.04104104);(396.3277,0.01101101)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(67.0541,0.002002);(70.065,0.02802803);(79.0542,0.003003);(81.0698,0.00600601);(93.0698,0.004004);(95.0855,0.00500501);(96.0808,0.004004);(105.07,0.003003);(107.0854,0.01401401);(109.1011,0.03103103);(114.0913,0.06606607);(119.0853,0.00600601);(121.1011,0.03403403);(123.1168,0.003003);(124.112,0.04004004);(126.1277,0.06706707);(127.1116,0.00600601);(131.0854,0.00600601);(133.1012,0.02202202);(135.1169,0.00500501);(143.0853,0.00500501);(144.1387,0.004004);(145.101,0.01301301);(147.1168,0.03403403);(149.0962,0.004004);(151.1116,0.01101101);(157.1011,0.05005005);(159.1168,0.03003003);(161.1323,0.003003);(163.1117,0.004004);(165.127,0.002002);(171.1166,0.01301301);(173.1325,0.00500501);(175.1116,0.02702703);(177.1276,0.004004);(183.1171,0.002002);(185.1324,0.004004);(197.1323,0.00900901);(211.1479,0.00800801);(213.1638,0.00500501);(225.1634,0.00600601);(253.195,0.1981982);(271.2055,0.17717718);(396.3258,0.21221221);(414.3363,1.0)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0541,0.00900901);(58.065,0.00700701);(67.0542,0.0980981);(69.0699,0.03103103);(70.0651,0.31331331);(79.0543,0.11111111);(81.0699,0.21521522);(82.0652,0.01101101);(83.0489,0.00700701);(83.0855,0.01701702);(86.0965,0.01101101);(91.0543,0.0990991);(93.0699,0.24224224);(95.0494,0.01401401);(95.0856,0.23723724);(96.0808,0.05505506);(97.065,0.01901902);(98.0966,0.04104104);(105.0699,0.16616617);(107.0856,0.35535536);(108.0806,0.00600601);(109.1012,0.45545546);(114.0914,0.11311311);(117.0699,0.06606607);(119.0856,0.18318318);(121.1012,0.41441441);(122.0963,0.01301301);(123.0803,0.00900901);(123.1169,0.04504505);(124.1121,0.51151151);(125.1202,0.01701702);(126.1278,0.41741742);(129.0698,0.05405405);(131.0856,0.22222222);(133.1012,0.54554555);(135.1169,0.07907908);(136.112,0.00700701);(137.0962,0.00800801);(138.1276,0.01301301);(141.0703,0.01301301);(142.0779,0.03203203);(143.0856,0.15215215);(145.1012,0.38438438);(147.1169,0.56656657);(148.1125,0.00900901);(149.0964,0.02002002);(149.1327,0.01701702);(150.1276,0.05905906);(151.1117,0.06706707);(152.1436,0.01201201);(155.0857,0.04204204);(157.1012,1.0);(159.1169,0.66366366);(161.0965,0.01701702);(161.1326,0.04204204);(162.1278,0.02202202);(163.1118,0.03603604);(164.1434,0.07507508);(169.1012,0.05705706);(171.1169,0.2022022);(173.1325,0.13513514);(175.1118,0.27727728);(176.1429,0.00800801);(177.1273,0.02802803);(178.1586,0.01001001);(182.1092,0.01001001);(183.1169,0.11911912);(185.1325,0.12712713);(187.1485,0.01801802);(189.1279,0.00800801);(196.1246,0.01501502);(197.1325,0.18918919);(198.1405,0.01301301);(199.1483,0.03403403);(201.1635,0.01201201);(209.1324,0.01701702);(211.1482,0.19219219);(213.1639,0.07007007);(216.1742,0.01001001);(223.1479,0.01501502);(224.1561,0.04704705);(225.1639,0.07907908);(227.18,0.01101101);(238.1718,0.04904905);(242.1668,0.01701702);(253.1951,0.66466466);(271.2055,0.09409409);(380.2956,0.01401401);(396.3261,0.37337337);(414.3355,0.03803804)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0541,0.01501502);(58.065,0.01001001);(65.0384,0.01201201);(67.0542,0.35235235);(68.0494,0.02202202);(69.0698,0.06906907);(70.0651,0.48748749);(77.0386,0.07007007);(79.0542,0.48148148);(80.0495,0.05205205);(81.0699,0.39439439);(82.0651,0.07607608);(83.0854,0.00800801);(84.0808,0.03103103);(86.0965,0.02302302);(91.0542,0.74274274);(92.0617,0.01001001);(93.0698,0.54954955);(94.0651,0.07907908);(95.0491,0.03503504);(95.0729,0.06706707);(95.0855,0.28928929);(96.0807,0.08908909);(98.0964,0.03803804);(103.0541,0.02802803);(105.0698,1.0);(107.0728,0.01701702);(107.0855,0.27527528);(108.0807,0.0960961);(109.0649,0.01201201);(109.0885,0.03803804);(109.1011,0.12212212);(110.0964,0.05105105);(114.0915,0.01201201);(115.0542,0.08608609);(116.0621,0.03803804);(117.0698,0.34934935);(118.0777,0.03803804);(119.0855,0.33233233);(120.0806,0.01401401);(121.1011,0.11611612);(122.0963,0.06006006);(124.112,0.23923924);(125.1197,0.02502503);(126.1277,0.0970971);(128.062,0.17817818);(129.0698,0.4044044);(130.0776,0.12512513);(131.0855,0.42442442);(133.1011,0.32632633);(134.0964,0.02102102);(136.1121,0.04604605);(138.1278,0.01701702);(141.0699,0.15815816);(142.0777,0.56756757);(143.0853,0.27027027);(144.0931,0.12712713);(145.1011,0.24224224);(147.1168,0.21221221);(148.112,0.1011011);(149.1199,0.01801802);(150.1276,0.16816817);(153.0696,0.02802803);(154.0777,0.03103103);(155.0855,0.15815816);(156.093,0.06806807);(157.1011,0.45945946);(159.1168,0.19119119);(162.1279,0.07807808);(164.1434,0.07907908);(167.0855,0.06406406);(168.0932,0.04904905);(169.1012,0.13813814);(171.1167,0.09009009);(173.1325,0.02402402);(176.1433,0.02402402);(178.1597,0.00900901);(181.1011,0.08108108);(182.1091,0.04604605);(183.1168,0.13213213);(185.1326,0.02302302);(188.1436,0.02002002);(195.1165,0.04004004);(196.1246,0.03503504);(197.1326,0.08608609);(199.1475,0.01501502);(202.1597,0.02302302);(204.1749,0.02402402);(209.1326,0.04304304);(210.1411,0.01201201);(211.1485,0.02602603);(212.1562,0.01001001);(216.1749,0.01201201);(223.1479,0.06806807);(225.1637,0.00900901);(237.1639,0.01001001);(238.1716,0.01301301);(380.2949,0.01501502)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(67.0542,0.00700701);(69.0698,0.004004);(70.065,0.06906907);(79.0542,0.00700701);(81.0699,0.02202202);(83.0856,0.002002);(86.0966,0.002002);(91.054,0.004004);(93.0699,0.01801802);(95.0855,0.02002002);(96.0808,0.01201201);(97.0649,0.00600601);(98.0962,0.004004);(105.0698,0.01101101);(107.0855,0.04904905);(109.1011,0.10510511);(114.0913,0.11611612);(117.07,0.003003);(119.0855,0.02602603);(121.1011,0.1011011);(123.1166,0.00900901);(124.112,0.12212212);(126.1277,0.2002002);(127.1117,0.00700701);(131.0854,0.03003003);(133.1011,0.08308308);(135.1168,0.01901902);(137.0956,0.003003);(143.0855,0.02102102);(144.1381,0.00600601);(145.1012,0.05205205);(147.1168,0.11811812);(149.096,0.01201201);(149.1323,0.00600601);(151.1117,0.03503504);(157.1011,0.16016016);(159.1168,0.11011011);(161.0961,0.004004);(161.1327,0.01101101);(163.1116,0.01601602);(164.1433,0.004004);(169.1013,0.003003);(171.1168,0.04404404);(173.1323,0.02502503);(175.1117,0.09409409);(177.1272,0.01201201);(183.1168,0.01501502);(185.1323,0.01601602);(187.1487,0.003003);(197.1322,0.03403403);(199.1481,0.004004);(211.1479,0.03503504);(213.1635,0.01801802);(224.1562,0.00600601);(225.1637,0.01501502);(227.1794,0.003003);(253.1949,0.5035035);(271.2055,0.2992993);(396.3259,0.44244244);(414.3364,1.0)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.054,0.00500501);(67.0542,0.03103103);(69.0699,0.01401401);(70.0651,0.16316316);(79.0543,0.02402402);(81.0699,0.06806807);(86.0965,0.00800801);(91.0542,0.01501502);(93.07,0.05705706);(95.0856,0.07107107);(96.0808,0.02402402);(97.0648,0.01401401);(98.0966,0.02002002);(105.07,0.03403403);(107.0856,0.14614615);(109.1012,0.25625626);(114.0913,0.19119119);(117.0699,0.01001001);(119.0856,0.06706707);(121.1012,0.23523524);(123.1169,0.02702703);(124.1121,0.2962963);(125.096,0.004004);(126.1278,0.38638639);(127.1117,0.01301301);(129.0698,0.00800801);(131.0856,0.08508509);(133.1012,0.20920921);(135.1169,0.04804805);(137.0961,0.00900901);(143.0856,0.06006006);(144.1387,0.00700701);(145.1012,0.14614615);(147.1169,0.31031031);(149.0962,0.02402402);(149.1324,0.01501502);(151.1117,0.07107107);(155.0855,0.00800801);(157.1012,0.42042042);(159.1169,0.29029029);(161.0959,0.00900901);(161.1325,0.02502503);(163.1119,0.03703704);(164.1433,0.01201201);(165.1274,0.01001001);(168.1383,0.01001001);(169.1014,0.01301301);(171.1169,0.11611612);(173.1325,0.06806807);(175.1118,0.23123123);(177.1274,0.03603604);(183.1169,0.03703704);(185.1325,0.04304304);(187.1483,0.01801802);(197.1325,0.08708709);(199.1484,0.01401401);(211.1482,0.0950951);(213.164,0.04704705);(224.1565,0.01301301);(225.1641,0.04204204);(227.1794,0.00700701);(238.1716,0.01601602);(242.1661,0.00600601);(253.1951,1.0);(271.2057,0.38738739);(396.3262,0.71371371);(414.3367,0.75775776)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0541,0.01801802);(58.0649,0.01501502);(67.0542,0.15515516);(69.0699,0.05705706);(70.0651,0.54454454);(79.0543,0.16316316);(81.0699,0.23623624);(82.0653,0.01701702);(83.0853,0.01501502);(86.0964,0.03503504);(91.0543,0.18618619);(93.0699,0.34234234);(95.0494,0.01701702);(95.0856,0.29429429);(96.0809,0.05305305);(97.0649,0.02802803);(98.0964,0.02702703);(105.0699,0.31031031);(107.0856,0.36636637);(108.0803,0.01801802);(109.0648,0.01901902);(109.1012,0.31731732);(114.0914,0.08308308);(117.0699,0.1021021);(119.0856,0.21121121);(121.1012,0.34634635);(122.0963,0.02202202);(123.1168,0.02602603);(124.1122,0.28828829);(126.1278,0.17117117);(129.0699,0.10910911);(131.0856,0.2952953);(133.1012,0.54454454);(135.1169,0.04904905);(136.1123,0.02302302);(138.1282,0.01201201);(141.0697,0.02302302);(142.0778,0.11511512);(143.0856,0.1961962);(144.0933,0.03103103);(145.1013,0.4024024);(147.1169,0.4994995);(148.1123,0.01601602);(150.1278,0.06706707);(151.1119,0.02502503);(152.1437,0.01401401);(155.0857,0.07207207);(156.0934,0.02202202);(157.1013,1.0);(159.117,0.61061061);(161.1324,0.03303303);(162.1279,0.02602603);(163.1121,0.01701702);(164.1437,0.05105105);(169.1012,0.09109109);(171.1169,0.18818819);(173.1326,0.11711712);(175.1118,0.16316316);(177.1275,0.01601602);(178.1594,0.01201201);(182.1093,0.01801802);(183.1168,0.12512513);(184.1246,0.02402402);(185.1325,0.09409409);(187.1482,0.01701702);(196.1248,0.02602603);(197.1326,0.14714715);(198.1402,0.03603604);(199.1478,0.03603604);(209.1326,0.02902903);(211.1482,0.14514515);(212.1563,0.02802803);(213.164,0.03103103);(223.1483,0.04204204);(224.156,0.05005005);(225.1639,0.06406406);(238.1719,0.06006006);(253.1953,0.26326326);(380.2964,0.02302302);(396.3264,0.08508509)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(58.0652,0.01801802);(67.0542,0.15615616);(69.0698,0.05705706);(70.0651,0.59459459);(79.0543,0.21221221);(81.0699,0.27827828);(82.0653,0.02202202);(86.0965,0.04104104);(91.0543,0.24024024);(93.07,0.42742743);(95.0491,0.03303303);(95.0856,0.31431431);(96.0808,0.06306306);(97.0647,0.03003003);(105.0699,0.40940941);(107.0856,0.34434434);(109.0647,0.01901902);(109.089,0.02002002);(109.1012,0.29029029);(114.0915,0.05505506);(115.0546,0.02302302);(117.0699,0.14714715);(119.0857,0.26626627);(121.1012,0.33433433);(123.0801,0.01801802);(123.1174,0.03103103);(124.1121,0.25325325);(125.1195,0.02802803);(126.1278,0.16116116);(129.07,0.13713714);(131.0856,0.33033033);(133.1013,0.52852853);(135.1169,0.04404404);(141.0699,0.04304304);(142.0778,0.19019019);(143.0857,0.20920921);(144.0939,0.03903904);(145.1013,0.37937938);(147.1169,0.45145145);(150.1279,0.05905906);(155.0857,0.08408408);(156.0936,0.02802803);(157.1013,1.0);(159.117,0.51151151);(161.1326,0.02202202);(162.1278,0.02202202);(164.1433,0.04104104);(169.1015,0.11711712);(171.117,0.2002002);(173.1327,0.08808809);(175.112,0.1041041);(182.109,0.04004004);(183.1169,0.15315315);(185.1326,0.1031031);(196.125,0.03303303);(197.1327,0.14914915);(198.1403,0.02702703);(199.1481,0.02202202);(209.1326,0.02602603);(211.1482,0.15215215);(212.1564,0.03503504);(223.1484,0.05805806);(224.156,0.04404404);(225.1636,0.05705706);(238.1723,0.05605606);(253.195,0.13213213);(396.3269,0.05105105)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(58.065,0.01101101);(65.0384,0.00800801);(67.0542,0.33433433);(68.0496,0.02302302);(69.0698,0.09109109);(70.0651,0.52152152);(77.0386,0.04904905);(79.0542,0.44944945);(80.0495,0.04704705);(81.0699,0.42742743);(82.0651,0.07307307);(83.0857,0.01501502);(84.0809,0.02602603);(86.0965,0.02402402);(91.0542,0.69269269);(93.0699,0.66166166);(94.0651,0.06406406);(95.0491,0.03703704);(95.073,0.07907908);(95.0855,0.34434434);(96.0808,0.10510511);(97.0649,0.01601602);(98.0965,0.05405405);(103.0542,0.02702703);(105.0699,1.0);(107.0855,0.36336336);(108.0807,0.07907908);(109.0646,0.01501502);(109.0884,0.05005005);(109.1012,0.17717718);(110.0964,0.06006006);(111.1044,0.01401401);(114.0913,0.02102102);(115.0542,0.05105105);(116.0621,0.04704705);(117.0699,0.31931932);(118.0778,0.02702703);(119.0855,0.38138138);(121.1011,0.15115115);(122.0964,0.08008008);(124.1121,0.28428428);(125.1199,0.02902903);(126.1277,0.12612613);(128.062,0.14414414);(129.0698,0.36136136);(130.0776,0.1001001);(131.0855,0.5035035);(133.1012,0.45545546);(134.0962,0.02202202);(135.1167,0.01801802);(136.112,0.04404404);(138.1274,0.02602603);(141.0698,0.15315315);(142.0777,0.55755756);(143.0854,0.2992993);(144.0932,0.13013013);(145.1011,0.34734735);(147.1168,0.29029029);(148.112,0.09309309);(149.1193,0.02002002);(150.1277,0.1991992);(152.1433,0.01101101);(153.0696,0.02402402);(154.0774,0.02702703);(155.0855,0.16416416);(156.0933,0.08508509);(157.1011,0.65565566);(159.1168,0.3023023);(161.1323,0.01101101);(162.1277,0.08708709);(164.1434,0.0970971);(167.0856,0.06706707);(168.0931,0.05005005);(169.1012,0.16916917);(171.1167,0.12012012);(173.1324,0.03403403);(175.1116,0.01001001);(176.1434,0.02902903);(181.1012,0.08808809);(182.1087,0.05805806);(183.1169,0.15915916);(185.1326,0.04704705);(188.1425,0.01801802);(190.1584,0.01201201);(195.1169,0.03203203);(196.1248,0.04604605);(197.1324,0.10510511);(199.1482,0.01801802);(202.159,0.01901902);(204.1746,0.02502503);(209.1327,0.04904905);(211.1484,0.04304304);(216.1744,0.02102102);(223.1481,0.07707708);(225.1645,0.01201201);(237.1629,0.01601602);(238.172,0.01801802);(253.1952,0.01301301);(380.2947,0.03203203)
LC-MS/MS	LC-ESI-ITFT	Positive	high	View Spectrum	(55.0542,0.00600601);(67.0542,0.04704705);(69.0698,0.01801802);(70.0651,0.20820821);(79.0542,0.04104104);(81.0699,0.0960961);(83.0855,0.00800801);(86.0965,0.00900901);(91.0542,0.02202202);(93.0699,0.0950951);(95.0856,0.11011011);(96.0808,0.03703704);(97.0649,0.01301301);(98.0964,0.02702703);(105.0699,0.06706707);(107.0856,0.22322322);(109.1012,0.34534535);(114.0913,0.16716717);(117.0699,0.02502503);(119.0855,0.09409409);(121.1012,0.31931932);(123.1169,0.03703704);(124.1121,0.37737738);(125.0961,0.00600601);(126.1277,0.42542543);(127.1119,0.00900901);(129.0699,0.01901902);(131.0855,0.12012012);(133.1012,0.34534535);(135.1169,0.06606607);(137.0957,0.01001001);(143.0856,0.08708709);(145.1012,0.23323323);(147.1169,0.3973974);(149.0961,0.03103103);(149.1324,0.01601602);(151.1118,0.08808809);(155.0857,0.01601602);(157.1012,0.62462462);(159.1169,0.41341341);(161.0962,0.01901902);(161.1326,0.02702703);(163.1119,0.03803804);(164.1434,0.03003003);(165.1276,0.00500501);(168.1382,0.00500501);(169.1011,0.02802803);(171.1169,0.16116116);(173.1325,0.1001001);(175.1118,0.30530531);(177.1275,0.03903904);(183.1169,0.06706707);(185.1326,0.06806807);(187.1484,0.02202202);(197.1325,0.13013013);(199.1482,0.02002002);(211.1483,0.12712713);(213.1638,0.06106106);(224.1558,0.03303303);(225.164,0.06406406);(227.1802,0.01401401);(238.1719,0.02502503);(242.1667,0.01201201);(253.1951,1.0);(271.2057,0.26926927);(396.3262,0.66466466);(414.3367,0.36536537)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(69.0403,0.08508509);(70.0179,0.1041041);(79.0258,0.32132132);(81.5284,0.09209209);(90.5279,0.27827828);(99.52,1.0);(100.0217,0.08108108);(100.5161,0.18818819);(105.0773,0.35335335);(111.0279,0.4014014);(112.0221,0.12612613);(121.0744,0.28628629);(175.0376,0.16816817);(399.0752,0.0970971);(414.1088,0.32432432);(414.1886,0.22922923)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(50.745003,0.00143231);(51.503899,0.00151333);(53.894463,0.0013309);(54.108117,0.00116112);(54.301338,0.00145476);(54.921037,0.00120685);(55.065782,0.00127043);(55.172034,0.00133137);(55.3072,0.00115915);(55.888759,0.00135364);(55.972156,0.00141076);(56.074983,0.00133412);(57.033005,0.00144853);(57.740181,0.00158938);(58.600978,0.00124574);(59.012421,0.13619005);(59.605451,0.00127478);(59.926397,0.0013964);(61.301408,0.0013142);(61.986933,0.66520857);(63.084507,0.00141023);(64.306068,0.00121836);(65.003288,0.0012895);(65.545545,0.00135427);(65.979226,0.0013805);(65.981247,0.00139089);(67.28533,0.00124316);(67.76646,0.00125458);(68.095495,0.00142114);(68.534886,0.00129439);(69.033128,0.00398625);(69.64135,0.00127343);(69.721888,0.00124242);(70.18355,0.00154207);(70.249406,0.00132293);(70.665214,0.00140358);(72.078184,0.00127529);(72.133178,0.00138782);(73.172992,0.00140151);(73.658582,0.00157423);(73.866542,0.00135784);(75.655366,0.00124433);(76.340028,0.00117571);(76.728202,0.00122018);(76.79607,0.0011892);(76.959328,0.0013287);(77.012915,0.00164292);(77.832298,0.00123016);(78.922253,0.00133896);(81.033232,0.01846398);(83.048845,0.19447558);(84.052216,0.00264539);(85.63084,0.00157445);(89.02302,0.1046331);(89.806163,0.00178808);(91.284133,0.00146592);(91.394991,0.00149796);(91.629226,0.00154834);(91.658281,0.00127294);(92.926609,0.00990749);(94.923667,0.00402008);(94.979405,0.00651564);(94.983296,0.00131436);(95.298791,0.00139523);(95.478791,0.0013014);(95.770022,0.00126631);(96.958759,0.07962171);(99.018609,0.01518976);(99.924382,0.02529487);(100.074171,0.00129976);(100.684513,0.00153037);(101.399247,0.00132614);(101.741428,0.00140514);(104.034027,0.00656553);(105.308033,0.00129291);(106.408985,0.00140356);(111.080038,0.00462945);(115.919395,0.01395858);(115.926846,0.00151952);(116.927188,0.00676415);(117.223279,0.00138172);(117.642169,0.00127466);(118.308112,0.00123995);(119.945706,0.02708425);(121.028205,0.04502932);(121.058567,0.0015465);(121.942634,0.0031061);(125.09592,0.01414366);(127.872557,0.00808001);(128.033227,0.00229934);(128.045228,0.01620612);(128.870243,0.0212245);(128.876736,0.04385035);(129.054801,0.00135098);(129.869095,0.00340872);(130.867,0.0013648);(130.979252,0.00142259);(132.553177,0.00127554);(137.574851,0.00141357);(139.41905,0.00137577);(140.940236,0.00119441);(145.96655,0.00238452);(150.517347,0.00130685);(150.633237,0.00149591);(151.119824,0.00136533);(154.67528,0.0013978);(158.821682,0.00152616);(158.937681,0.00208467);(159.859471,0.0016305);(160.419826,0.00125482);(162.654063,0.00152524);(164.939964,0.00207008);(165.911572,0.00218066);(166.937014,0.00163182);(168.681177,0.00135302);(171.101599,0.00582227);(171.137627,0.00211211);(171.239317,0.00151512);(171.945744,0.00136134);(171.982411,0.00302766);(174.168025,0.00137164);(175.543203,0.00120682);(182.575427,0.00132751);(183.922222,0.00662642);(186.818933,0.00129085);(186.991213,0.00287254);(187.13321,0.00478253);(191.298056,0.00136435);(191.733838,0.00128161);(197.156851,0.00145682);(202.042256,0.00131998);(202.152036,0.00143487);(206.451538,0.00163114);(208.930666,0.00209211);(209.078754,0.00870822);(210.927956,0.00173155);(211.959905,0.00127803);(213.825033,0.02223405);(213.837026,0.0414839);(214.4396,0.00140642);(214.66309,0.0013244);(214.786039,0.00152661);(214.965732,0.00361528);(215.546938,0.00147677);(228.965424,0.00480731);(233.198637,0.00159284);(240.925727,0.00153629);(241.217061,0.03365453);(242.175799,0.01042786);(246.329477,0.00141959);(247.013338,0.00726029);(248.079101,0.00180711);(255.232566,0.05434854);(256.237181,0.00137405);(259.325128,0.00134667);(262.929275,0.00153144);(263.009084,0.00168825);(264.928003,0.0040107);(264.958359,0.00338186);(269.119924,0.00160742);(269.248984,0.00158859);(272.739645,0.00185557);(277.473525,0.00133022);(280.215742,0.00130089);(281.865036,0.0013274);(282.073345,0.00124918);(282.500993,0.0012715);(282.994889,0.03060247);(283.263931,0.0180623);(284.974239,0.03429873);(286.197712,0.00128004);(293.179012,0.00989915);(297.152823,0.00523987);(299.026175,0.03697343);(299.199946,0.00149967);(300.720711,0.00156484);(300.832339,0.00146777);(302.986011,0.00165941);(309.944947,0.00395607);(311.167558,0.00515601);(325.183974,0.0728974);(326.187337,1.0);(327.179822,0.16442403);(328.18388,0.02676677);(339.7142,0.00156167);(353.196581,0.00205342);(353.216119,0.04450911);(354.0887,0.00130576);(354.218412,0.0015421);(357.014113,0.00156589);(358.992854,0.01137257);(365.378121,0.00385579);(369.194677,0.00169533);(371.210989,0.00241281);(375.02435,0.00831791);(408.664244,0.00150522);(411.134302,0.05322428);(411.241955,0.15464525);(411.383764,0.00747009);(412.135587,0.01749373);(412.246221,0.02723687);(412.823485,0.00162695);(413.132644,0.00389598);(413.221231,0.0232273);(414.22831,0.00197962)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.029816,0.00008429);(50.502309,0.00010781);(50.51575,0.00009124);(51.348666,0.00007234);(51.483199,0.00010651);(51.938471,0.0001004);(52.311912,0.00008902);(52.433183,0.00009714);(52.829636,0.000109);(52.946375,0.0000887);(52.977967,0.00010344);(53.27845,0.00011188);(53.308316,0.00010927);(53.565816,0.00010159);(54.010402,0.00008594);(54.34635,0.00006397);(55.226145,0.00005027);(55.311074,0.00008303);(55.407704,0.00009971);(55.57265,0.00009636);(56.522683,0.0001109);(57.022634,0.00009022);(57.033734,0.00005068);(57.210572,0.00009133);(57.380084,0.00004701);(58.065313,0.00030696);(59.943724,0.00005564);(60.296252,0.000085);(60.441867,0.0000505);(61.874161,0.00004838);(62.618422,0.00011096);(64.331109,0.00009484);(65.04583,0.0000994);(65.096246,0.0000984);(65.135209,0.00009348);(67.054321,0.00083451);(67.245618,0.00011259);(68.34382,0.00009683);(69.04896,0.00011908);(69.069945,0.00122653);(69.38498,0.00007549);(69.621466,0.00005144);(70.065169,0.02805432);(70.867446,0.00011571);(71.068624,0.00019244);(72.099338,0.00012769);(73.576208,0.00008399);(73.792764,0.00011902);(75.196325,0.00007985);(75.260691,0.00005818);(75.312708,0.0001211);(76.765731,0.0000929);(77.262167,0.00009657);(78.068125,0.00010745);(78.18379,0.00008863);(78.498581,0.00010342);(79.054313,0.00010823);(79.312478,0.00009745);(81.069857,0.00461617);(81.47077,0.00011092);(82.30377,0.00009019);(82.619492,0.00010798);(83.267434,0.00011831);(83.879632,0.00011614);(84.48003,0.00009434);(86.096529,0.00019391);(87.849166,0.00009478);(87.918599,0.00012558);(89.171176,0.00007791);(89.904042,0.00010583);(90.452628,0.00008193);(91.111652,0.00008088);(93.069852,0.00128271);(94.431241,0.00011372);(94.585216,0.0000717);(95.085513,0.00207528);(95.636814,0.00007863);(96.080655,0.00415146);(96.361233,0.00009711);(97.064869,0.0003853);(98.096338,0.00029927);(99.392332,0.00011169);(101.294177,0.00011275);(103.456368,0.00009887);(103.7084,0.00040379);(104.765867,0.00011004);(104.787316,0.00011175);(104.951977,0.00008197);(105.069958,0.00093428);(105.296857,0.00007647);(106.982344,0.00012679);(107.085492,0.01213437);(108.08893,0.00031541);(108.987567,0.00011524);(109.101177,0.01693258);(109.153998,0.00011874);(110.104507,0.00010376);(110.846078,0.00014111);(112.636959,0.00011877);(112.710261,0.00011673);(113.095345,0.00008313);(113.201328,0.00010655);(114.091343,0.03572003);(115.094564,0.00120502);(115.349407,0.0001009);(115.433962,0.00010111);(115.603786,0.00007774);(115.836637,0.00009144);(117.996889,0.00010675);(118.190179,0.00008984);(119.003135,0.00006802);(119.085465,0.00247176);(121.101178,0.020452);(121.563507,0.00008485);(121.965623,0.00010438);(122.104436,0.00040649);(123.116647,0.0008934);(123.135804,0.00008147);(124.112107,0.0158567);(125.041724,0.00011283);(125.09593,0.00029641);(125.115138,0.00036649);(126.056905,0.00010799);(126.127717,0.03126038);(127.111642,0.00429822);(127.130895,0.00134702);(127.521777,0.00010398);(127.80196,0.00011474);(131.085546,0.00351058);(133.101082,0.01000919);(134.104507,0.00008413);(134.499832,0.00011513);(134.52508,0.00010149);(134.657193,0.00006942);(134.913769,0.00011218);(135.116684,0.00356375);(139.850283,0.00011165);(139.945344,0.00005504);(141.461564,0.00009882);(143.085476,0.00398933);(144.138388,0.00203211);(145.101109,0.00739393);(145.811224,0.00007873);(145.93701,0.00005128);(146.978088,0.00012514);(147.116738,0.01777238);(147.322108,0.00012117);(148.120101,0.00074012);(149.096004,0.00226328);(149.132108,0.00007343);(149.735633,0.00012066);(151.111763,0.0066274);(151.916305,0.00005283);(154.036599,0.000093);(157.101127,0.02735195);(157.637682,0.00013499);(158.104454,0.0018023);(158.745615,0.00013428);(159.116775,0.01585051);(160.120141,0.00085044);(161.132247,0.00087273);(162.93206,0.00011291);(163.11162,0.00213393);(163.90259,0.0001059);(165.126872,0.00021657);(167.143662,0.0000686);(169.593716,0.00011124);(171.116644,0.00845785);(173.132345,0.00228466);(173.860975,0.00010329);(175.111685,0.01302611);(176.114654,0.00049212);(177.127377,0.00189057);(178.938356,0.00010612);(179.650345,0.00005318);(181.161815,0.00005397);(182.011743,0.00010434);(183.116661,0.0014087);(185.132465,0.00191176);(189.664832,0.0001211);(190.786414,0.0000751);(194.991692,0.00011901);(195.757132,0.00013245);(197.132512,0.00674921);(197.480463,0.00012927);(198.135906,0.00036432);(199.147726,0.00030794);(204.16415,0.0001356);(204.842442,0.00008356);(211.148248,0.00531146);(212.150768,0.00012656);(213.163429,0.00236192);(213.728549,0.00426129);(213.739538,0.00184306);(213.782676,0.00008175);(219.285762,0.00011975);(224.155352,0.00028562);(225.163719,0.00278908);(225.311499,0.00009657);(227.48775,0.00011645);(227.72381,0.00014138);(229.157539,0.00008533);(235.600514,0.00009457);(240.172517,0.00011495);(251.859078,0.00007083);(253.194957,0.10353786);(254.198264,0.01980674);(255.201044,0.00033557);(256.303821,0.00009115);(256.747814,0.0001228);(258.008858,0.00012571);(263.621408,0.00007726);(265.646066,0.00013348);(270.265081,0.00011233);(271.205339,0.09906049);(272.208714,0.01833519);(272.699673,0.00005856);(273.211452,0.00020352);(278.259511,0.00009785);(280.290348,0.00006286);(281.002529,0.00007825);(282.605774,0.00011561);(304.16534,0.00006074);(312.497738,0.00011682);(316.739701,0.00013376);(317.808324,0.00012507);(331.822888,0.00005773);(333.36178,0.00016092);(339.772668,0.00008206);(341.587408,0.00008907);(345.238984,0.00012908);(354.075636,0.00014244);(362.552575,0.00011648);(366.968038,0.000075);(369.564061,0.00008737);(371.551853,0.00015457);(371.955857,0.00010608);(383.636436,0.00007852);(395.030894,0.0000576);(396.325816,0.15767938);(397.33003,0.044392);(398.332819,0.00289376);(413.326637,0.0003225);(414.285358,0.00072474);(414.336391,1.0);(415.339475,0.28569469);(415.405216,0.00012123);(415.737383,0.00010378);(416.342825,0.02483338)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.744611,0.00081378);(50.895741,0.00082116);(51.327566,0.00081143);(51.396524,0.00040234);(52.498848,0.0006339);(52.72306,0.00083816);(53.176911,0.00074252);(53.31854,0.0008057);(53.491441,0.00069349);(53.563047,0.00046507);(54.11008,0.00085586);(55.054555,0.00165563);(55.373668,0.0005268);(55.514119,0.00056297);(56.469938,0.00080102);(56.634883,0.00061169);(57.033686,0.00146826);(57.258364,0.00100032);(58.019154,0.00077568);(58.065318,0.01178816);(59.303208,0.00077911);(59.306364,0.00075352);(60.172318,0.00042413);(60.198193,0.00089296);(60.917117,0.00098871);(62.107882,0.00078022);(63.437629,0.00070693);(64.038881,0.00065335);(64.154087,0.00069066);(64.707009,0.00082293);(64.944582,0.0005693);(65.110732,0.000788);(65.664997,0.00090269);(65.751249,0.00098836);(66.284864,0.00055357);(67.054279,0.04511937);(67.271184,0.00108399);(67.962063,0.00084232);(69.069919,0.01938263);(70.065211,0.3434397);(70.160455,0.00060744);(70.229112,0.00090093);(70.548141,0.00054994);(71.068432,0.00451179);(71.085521,0.00098622);(71.251412,0.00089135);(71.660273,0.00092738);(72.2506,0.00064793);(72.531023,0.00073365);(73.538014,0.00057202);(73.778409,0.00099809);(74.847306,0.00070895);(74.896034,0.00064548);(75.230486,0.00055821);(75.289904,0.00092149);(75.615354,0.00089515);(76.037064,0.00075733);(78.284414,0.0008072);(78.410584,0.00061526);(79.05417,0.01282622);(79.240617,0.00075228);(79.366352,0.00087483);(79.744781,0.00097777);(80.169869,0.00085696);(80.624058,0.00064828);(80.773731,0.00071585);(80.778819,0.00058345);(81.069912,0.08115608);(82.072563,0.00047185);(82.431259,0.00078971);(83.085525,0.00670842);(84.056484,0.00072005);(85.557726,0.00064928);(86.096353,0.00164321);(88.552233,0.00094239);(88.940181,0.0008002);(91.006532,0.00064312);(91.054246,0.0111614);(91.080148,0.00075008);(92.091387,0.00086251);(93.069808,0.04870684);(95.049061,0.00210132);(95.085512,0.06831737);(96.080662,0.03227301);(97.064711,0.01019056);(97.101289,0.00092781);(98.096339,0.00735024);(98.784123,0.00090595);(102.507334,0.00092772);(104.178601,0.00085241);(105.069831,0.0348734);(105.940464,0.00072868);(107.085491,0.1368215);(108.088612,0.00201914);(109.101137,0.1973158);(110.104394,0.00769579);(110.751176,0.00065016);(111.511952,0.00097949);(114.091313,0.15780805);(115.094872,0.00072349);(115.489639,0.00089929);(115.53252,0.00094925);(117.06981,0.00579445);(118.253867,0.00064848);(119.085436,0.05271665);(120.05241,0.00089343);(120.303892,0.00075981);(120.318818,0.00059803);(121.101125,0.22195242);(121.350952,0.00071537);(121.773814,0.00091854);(122.104402,0.01052012);(123.116776,0.01353377);(124.11204,0.16253257);(125.115208,0.00510161);(125.73061,0.00069275);(126.127651,0.25411901);(127.111627,0.01407855);(127.131,0.01091663);(127.436404,0.00063199);(127.67537,0.00098095);(129.069745,0.00347523);(129.342997,0.00122064);(130.435005,0.00117865);(131.085519,0.06564869);(132.088897,0.00114261);(133.042424,0.00098188);(133.101139,0.16964256);(133.225756,0.00097696);(133.387841,0.00084921);(134.104334,0.00846464);(135.116676,0.05135682);(137.096043,0.00203709);(137.11002,0.00116519);(139.838901,0.0007909);(141.409004,0.00060363);(141.913308,0.00067947);(143.085475,0.05756513);(143.221327,0.00083608);(144.088543,0.0009236);(145.101153,0.1320477);(146.104265,0.00355063);(147.052814,0.00090818);(147.116761,0.24120279);(147.581945,0.00094014);(148.120196,0.01533709);(149.096105,0.0252116);(149.132579,0.00561933);(150.232372,0.0007202);(151.111748,0.05653873);(152.114632,0.00100194);(153.512393,0.00065891);(155.085032,0.00161406);(155.582584,0.00099597);(156.158382,0.00080336);(157.101158,0.41899977);(157.209292,0.00078829);(158.10444,0.04746914);(158.307093,0.00058519);(159.116779,0.23951322);(159.576641,0.00075417);(160.120165,0.02864218);(161.096063,0.00411958);(161.132357,0.01158532);(163.111602,0.02702938);(165.127725,0.00104016);(165.71956,0.00072413);(169.101057,0.00921446);(169.635425,0.00104362);(170.328892,0.00069375);(171.116719,0.10774752);(171.473247,0.00064463);(172.120157,0.00578031);(173.132448,0.05253333);(174.135551,0.00107796);(175.111655,0.1661534);(176.115043,0.01180757);(176.870355,0.00100034);(177.127345,0.01588135);(178.158058,0.00100983);(178.684585,0.00070787);(182.30526,0.00050062);(183.116779,0.04085811);(183.681777,0.00108041);(185.132394,0.04088662);(187.148287,0.00548129);(189.317778,0.00069378);(190.466413,0.00069459);(197.019088,0.00043493);(197.132424,0.08881246);(197.206063,0.00093411);(197.630475,0.00094448);(198.136045,0.0043877);(199.147888,0.00764016);(199.579946,0.00089619);(201.163622,0.00116592);(202.053723,0.00103206);(203.529647,0.00081447);(205.431038,0.00044874);(205.610081,0.0008928);(210.502785,0.00086467);(211.148042,0.07993741);(212.152004,0.00594033);(213.163579,0.0380859);(213.724469,0.0234987);(213.736224,0.03036781);(214.167549,0.00107854);(224.155796,0.01433712);(225.16358,0.04152325);(226.1677,0.00043456);(226.292073,0.0006873);(227.178661,0.00094468);(231.174117,0.001264);(232.168179,0.00096569);(238.17126,0.00431644);(241.341541,0.00061735);(242.063438,0.00090057);(249.343279,0.00086735);(253.031126,0.00085006);(253.194984,0.81015387);(254.198244,0.13923424);(255.201573,0.0010348);(257.892425,0.00110521);(258.255033,0.00069629);(267.890897,0.000692);(268.29556,0.00097858);(271.205495,0.29733486);(272.208924,0.05276962);(318.087298,0.00071869);(320.252831,0.00083736);(327.678224,0.0005582);(334.346637,0.0011437);(336.306473,0.00096382);(338.501789,0.00111923);(339.618796,0.00048547);(343.988724,0.00083044);(350.271703,0.00065411);(361.891605,0.00110674);(381.306593,0.00094842);(391.430357,0.00104652);(396.325749,0.75714743);(397.301566,0.00077288);(397.329386,0.22087761);(398.332347,0.01375565);(404.583837,0.00081232);(414.336209,1.0);(415.339615,0.27802834);(416.342822,0.02141112)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.957541,0.00147284);(51.051963,0.00140174);(51.51861,0.00136835);(51.579396,0.00101838);(51.885866,0.0012978);(51.979557,0.00144716);(53.002384,0.00186946);(53.038895,0.00255948);(53.045739,0.00158715);(54.822618,0.00231168);(55.054506,0.10284403);(55.128246,0.00080893);(56.393311,0.00134285);(56.530572,0.00125807);(56.692751,0.00109624);(57.033778,0.04075016);(57.27108,0.00151007);(57.912271,0.00129372);(58.065385,0.06802383);(59.12184,0.00165969);(60.195615,0.00146588);(60.724121,0.00147018);(60.783865,0.00192325);(61.256854,0.00139403);(61.445878,0.00166704);(61.729059,0.00098976);(62.011014,0.00137254);(62.096887,0.00148168);(62.489934,0.00136675);(63.51389,0.00147345);(63.918132,0.00109402);(64.197193,0.00082469);(65.001305,0.0015572);(65.038791,0.00164991);(66.646766,0.00134917);(67.054325,0.36663901);(67.656946,0.00158117);(68.049698,0.00376482);(68.057678,0.00258398);(68.95018,0.00135624);(69.069988,0.08558002);(70.06517,0.967443);(70.278184,0.00143149);(70.397496,0.00196457);(71.010211,0.00154956);(71.068516,0.02412928);(72.095521,0.00154925);(72.192866,0.001123);(72.732057,0.00099228);(73.767089,0.0017211);(73.990714,0.00154659);(74.512557,0.00081691);(75.666039,0.00173239);(75.806215,0.00127802);(77.032863,0.00153312);(77.35142,0.00198093);(79.054237,0.26317253);(80.049415,0.00411822);(80.057585,0.00680072);(81.067316,0.00150397);(81.069893,0.34226833);(81.802007,0.00130909);(82.065077,0.01010939);(82.073287,0.0077016);(83.085544,0.00949492);(83.413885,0.00156217);(84.080774,0.00433199);(84.355213,0.00148536);(86.096459,0.01763476);(87.289454,0.00147212);(89.790233,0.00160549);(90.305817,0.00155875);(91.054213,0.26496365);(92.057612,0.0046105);(93.069899,0.41075748);(93.230282,0.00086223);(93.813547,0.00120166);(94.065158,0.00433607);(94.073179,0.01971883);(94.748384,0.00162989);(95.049146,0.04669055);(95.073032,0.01174547);(95.08552,0.2823561);(95.549103,0.00120968);(96.080774,0.07183482);(96.088873,0.00449058);(96.182063,0.00128688);(97.064797,0.01015057);(97.084227,0.00221389);(98.096376,0.02036265);(98.66636,0.00150604);(99.655756,0.00117108);(101.840969,0.0007812);(102.741307,0.00178433);(103.091639,0.00114743);(103.132798,0.00176441);(103.351813,0.00073693);(105.069907,0.38043755);(106.073263,0.01910624);(107.085504,0.33672177);(108.080509,0.00318546);(108.088902,0.01371552);(109.064762,0.01180715);(109.101191,0.28230162);(109.415193,0.00107974);(110.10455,0.00897309);(110.245687,0.00152308);(111.467606,0.00086146);(114.091366,0.08409207);(114.239193,0.00093236);(114.657228,0.00106718);(115.054225,0.00531273);(117.069905,0.11809291);(118.073171,0.0013896);(119.085582,0.20437284);(120.088846,0.00247604);(121.101188,0.32215729);(121.120025,0.00118791);(122.096535,0.00205303);(122.104509,0.01355262);(123.08036,0.0018518);(123.11669,0.00453176);(124.112128,0.19268093);(125.119987,0.00183221);(126.127735,0.18067948);(127.131105,0.00152729);(128.061944,0.00992357);(128.737243,0.00110478);(129.069837,0.1345348);(130.072965,0.0016729);(130.077871,0.00458559);(131.085527,0.29221019);(132.089021,0.01870187);(133.10113,0.46381058);(133.246578,0.00128519);(133.633918,0.00190111);(134.104372,0.03789226);(134.989003,0.00184533);(135.116707,0.05020417);(136.112217,0.00124373);(137.827541,0.00153187);(138.615265,0.00155043);(139.645371,0.00120007);(140.43096,0.00143065);(141.0697,0.02263759);(142.077846,0.15132481);(142.187065,0.00169452);(142.698059,0.00136351);(143.085656,0.19571847);(144.093531,0.01523988);(145.101153,0.34058639);(146.104439,0.02685536);(147.080466,0.00132864);(147.116738,0.41424113);(148.111943,0.00102926);(148.120159,0.03356877);(148.430514,0.00182831);(149.096043,0.00279656);(150.127697,0.01919745);(151.111539,0.01216518);(155.085465,0.08304712);(156.093511,0.00158456);(157.101088,1.0);(158.104391,0.10118776);(159.116743,0.51344431);(160.120185,0.04793586);(161.132495,0.00851191);(162.127452,0.00362474);(163.111709,0.00950013);(163.146765,0.00207053);(164.143259,0.02064878);(165.380834,0.00178793);(165.715009,0.00146942);(165.843706,0.0011608);(168.093069,0.00217076);(169.101149,0.09538311);(170.10938,0.00172693);(171.116676,0.18192612);(172.119971,0.00579976);(173.117742,0.00161437);(173.13255,0.09713816);(173.544916,0.00189662);(175.111643,0.13985159);(176.115217,0.00458858);(177.126922,0.00159314);(179.597143,0.00132127);(181.101116,0.00593515);(181.400813,0.00131493);(182.109011,0.01697198);(183.116966,0.1227057);(183.433323,0.00113306);(183.626913,0.00152817);(185.132517,0.10297189);(187.148564,0.00463012);(191.140469,0.00120339);(193.490258,0.00183412);(194.860259,0.00110039);(195.116584,0.00288212);(196.124551,0.01490414);(197.132376,0.15234924);(198.137974,0.00640531);(199.148317,0.02239713);(203.277113,0.00174622);(206.051975,0.00137891);(207.397746,0.00128064);(209.132253,0.01642074);(210.140243,0.00195336);(211.042873,0.00137296);(211.148109,0.15172836);(212.154989,0.00903734);(212.18184,0.00178914);(212.1902,0.00173897);(213.163617,0.01812628);(217.185916,0.00168068);(219.785876,0.00459082);(219.797486,0.01769554);(223.148037,0.02466803);(224.155865,0.04884743);(224.181736,0.00153256);(225.163519,0.05055037);(226.168271,0.0018008);(227.17931,0.0012278);(230.03146,0.00076869);(230.634457,0.00188622);(238.17161,0.04392617);(242.166533,0.00374056);(248.574811,0.00205739);(253.194906,0.24925455);(253.208238,0.00231302);(254.198205,0.0416636);(256.030112,0.0016909);(271.205568,0.00234159);(277.244873,0.00099369);(285.787268,0.00128352);(291.316232,0.00100795);(308.988134,0.00127662);(316.458584,0.00092437);(320.231317,0.0015229);(324.063891,0.00197388);(339.942769,0.0014962);(340.991368,0.001606);(343.797508,0.00170666);(353.356895,0.00095298);(354.993738,0.00182781);(377.667583,0.00175494);(380.293655,0.00821103);(382.223308,0.00088856);(390.405867,0.00131358);(396.326121,0.14298399);(397.329363,0.02106566)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.176697,0.00306312);(51.136528,0.00224115);(51.43565,0.00230049);(52.165067,0.00257435);(53.308556,0.00234708);(53.77912,0.00233075);(55.637674,0.00252703);(55.875331,0.00229166);(56.095303,0.00233671);(56.813673,0.00250704);(57.035331,0.00230157);(57.836922,0.00251363);(58.522278,0.00242376);(58.692342,0.00239668);(58.752186,0.00270035);(59.01244,0.18507202);(59.203273,0.00280157);(59.826432,0.00247404);(60.533966,0.00288793);(61.110625,0.00253346);(61.986937,0.71596167);(62.032457,0.00231692);(63.193426,0.00220294);(64.149648,0.00276201);(64.375377,0.00245329);(65.137195,0.00231343);(65.797004,0.0030474);(66.709991,0.00281371);(67.230839,0.002593);(67.435317,0.00283534);(69.58452,0.00232342);(70.114237,0.00231719);(70.469885,0.00279446);(70.608749,0.00280468);(70.899999,0.00264728);(71.092695,0.00259902);(71.884715,0.00276902);(72.250607,0.00272714);(73.371031,0.00265571);(74.424201,0.00253611);(76.442562,0.00297498);(77.505784,0.00289765);(77.522706,0.00235394);(78.208089,0.00271344);(78.885744,0.0023544);(79.180097,0.00235231);(79.695323,0.00249572);(79.814031,0.00281258);(79.955989,0.01293289);(80.601079,0.00291694);(81.027325,0.00257505);(81.033197,0.03765688);(81.961773,0.00254936);(82.383321,0.00243948);(83.048852,0.16321624);(83.535407,0.00246408);(86.554286,0.00265176);(86.782941,0.00256779);(88.551172,0.00264216);(89.023014,0.1000257);(92.926598,0.00951041);(93.023808,0.00235543);(94.167634,0.00260801);(94.319414,0.00240171);(94.923896,0.00251061);(94.979428,0.0056768);(95.597151,0.00234379);(96.148616,0.00354565);(96.520263,0.00301169);(96.958727,0.24428973);(98.954635,0.00276047);(99.018573,0.02341558);(99.257902,0.0027992);(99.522881,0.00235415);(99.823571,0.00269439);(99.924428,0.02736344);(102.121646,0.00240398);(104.033934,0.00364604);(105.984384,0.00275915);(106.934966,0.00232089);(108.74627,0.00280903);(111.04338,0.00276838);(111.101454,0.00279128);(111.783347,0.00268277);(111.919925,0.00239944);(115.042103,0.00264296);(115.187255,0.00271999);(115.919286,0.02610923);(116.351498,0.00278979);(116.499097,0.00228458);(116.927359,0.00427962);(117.947291,0.00316653);(118.034921,0.00300007);(118.647323,0.00264682);(119.945729,0.01206162);(120.859597,0.00293394);(121.028184,0.03199729);(123.561928,0.0028536);(125.604221,0.0025348);(127.868723,0.00754725);(127.872432,0.00745339);(127.880053,0.0026112);(128.045343,0.00298218);(128.870152,0.02648564);(128.876715,0.06177286);(129.320502,0.00258242);(130.154304,0.00275926);(130.86693,0.00534773);(130.873973,0.00460136);(133.680553,0.00297549);(135.238764,0.00275972);(139.627266,0.00261085);(139.981276,0.00262682);(142.123377,0.00275784);(142.311965,0.00252947);(145.967172,0.00303911);(149.919651,0.00283338);(152.656596,0.0030249);(159.858977,0.00359192);(162.363801,0.00266803);(163.145101,0.00246831);(164.13766,0.00274787);(165.118589,0.00282204);(171.136215,0.00283795);(171.946288,0.0032485);(171.982721,0.00271222);(173.241344,0.00243904);(174.991735,0.00348355);(176.503672,0.0024869);(184.000814,0.00320482);(187.132862,0.00290114);(197.026964,0.01539534);(198.031465,0.00756367);(198.462802,0.00279655);(207.010242,0.00257648);(209.078935,0.00259771);(213.829047,0.13438472);(217.020239,0.00272615);(218.628996,0.00270305);(219.650214,0.00263979);(229.452836,0.00249468);(241.216904,0.00657508);(244.386055,0.00264074);(246.909413,0.00356017);(249.151499,0.00255596);(251.798343,0.00311378);(252.622778,0.00279839);(255.232428,0.03625954);(258.076632,0.00276674);(258.466808,0.0027207);(260.481495,0.00280095);(261.300806,0.00304559);(266.962925,0.00342312);(269.120926,0.00276957);(270.482242,0.00286403);(275.853684,0.00329062);(277.136345,0.00308426);(282.994936,0.03399186);(283.264003,0.02019752);(284.974023,0.01646515);(285.46306,0.00294158);(287.883851,0.00290566);(290.435443,0.00322163);(292.991518,0.00287525);(299.028727,0.00320215);(307.881458,0.00269742);(322.638743,0.00283592);(325.183912,0.0636639);(326.187332,1.0);(326.209939,0.00642063);(327.179468,0.15994491);(327.88104,0.00266204);(328.184073,0.01138629);(346.566387,0.00269944);(353.196899,0.00305);(353.215825,0.04731582);(358.99174,0.00658495);(365.378333,0.00325423);(367.581113,0.00322988);(368.076452,0.00276861);(369.075856,0.00256892);(373.249069,0.00340934);(378.848133,0.00389938);(389.399074,0.0029238);(411.134712,0.00357046);(411.241726,0.06371576)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.159945,0.0032853);(50.187478,0.00321953);(50.773859,0.00346339);(51.475681,0.00364441);(51.575749,0.00310666);(51.902459,0.00308941);(52.158363,0.00320158);(52.511088,0.00336938);(53.22211,0.00293318);(53.624186,0.00303747);(53.649525,0.00339213);(54.582811,0.00287215);(54.861496,0.00352641);(55.156198,0.00334646);(55.19454,0.00283267);(55.258711,0.00317195);(56.111709,0.00321694);(57.930033,0.00275028);(59.012434,0.20386429);(61.388849,0.00334402);(61.986932,1.0);(62.023208,0.00276285);(63.393411,0.00284217);(63.588825,0.00330416);(64.90778,0.00330182);(65.572528,0.00313303);(66.767426,0.00296144);(67.194752,0.00304553);(67.375713,0.00311745);(68.929701,0.00303843);(70.275317,0.00343773);(71.441166,0.0031884);(71.871643,0.00320398);(78.059673,0.00376265);(79.955986,0.12390775);(80.165271,0.00300142);(80.200483,0.00325528);(80.6035,0.00387828);(80.963893,0.00317422);(81.033186,0.11273305);(81.127257,0.0031663);(81.790374,0.00301176);(81.951544,0.00417289);(83.048848,0.09194865);(83.053098,0.00358851);(84.845839,0.0035487);(85.406294,0.00321595);(87.761202,0.00300909);(88.506915,0.00329969);(89.023048,0.07135301);(91.299226,0.00284963);(91.467639,0.00297196);(91.51039,0.00371136);(92.502008,0.00298731);(92.571715,0.0028808);(95.048452,0.00325206);(95.667662,0.00399532);(96.958725,0.38892543);(97.114724,0.0035632);(98.95439,0.00325701);(99.018622,0.01727316);(99.924452,0.09145363);(100.106421,0.00306497);(100.683141,0.00291011);(102.498367,0.00295389);(102.532426,0.00314725);(103.514672,0.00331882);(103.604555,0.003381);(104.638777,0.00297451);(107.549725,0.00339465);(107.592098,0.00325991);(107.602495,0.00328179);(109.669627,0.00325647);(110.286873,0.00350654);(110.305058,0.00326062);(111.074955,0.00316175);(111.679423,0.0031281);(111.910418,0.00298346);(113.183517,0.00321686);(113.561213,0.00301053);(114.914408,0.00319345);(115.201728,0.00326347);(115.919411,0.03810024);(116.927261,0.00969104);(118.898372,0.00716938);(121.028162,0.00396707);(122.828446,0.00381469);(125.222621,0.00412623);(125.847268,0.00329206);(125.853003,0.00344918);(127.332087,0.00356963);(127.868774,0.00550171);(127.872473,0.01109693);(128.870171,0.01633466);(128.876637,0.02435792);(129.235279,0.00335449);(130.867306,0.00823145);(135.790031,0.00355668);(135.990076,0.00320411);(139.561519,0.00309835);(140.067406,0.00298252);(148.877379,0.00327192);(149.007865,0.00464446);(149.628972,0.00299735);(151.16912,0.00361134);(153.649487,0.00345832);(154.806437,0.00349231);(159.85878,0.00766955);(161.82168,0.00345349);(163.907627,0.00322521);(168.342917,0.00352923);(171.779044,0.00294735);(175.721917,0.00310525);(180.360093,0.00297514);(183.01127,0.25560905);(184.000989,0.00403834);(184.014673,0.13459567);(184.976539,0.00360586);(185.007123,0.05677069);(186.792672,0.0033956);(197.026961,0.36941786);(197.610358,0.00341371);(198.029995,0.28571814);(199.022667,0.11035872);(202.343126,0.00308933);(205.073519,0.00334461);(205.583097,0.00314892);(217.384917,0.00374807);(219.084455,0.00326199);(219.878642,0.01849051);(219.888739,0.01180188);(219.900747,0.00531092);(226.60769,0.00352634);(230.024748,0.0174103);(231.027841,0.00338957);(231.702924,0.00331011);(237.77428,0.00361497);(239.923012,0.00342655);(244.062998,0.00401529);(253.485455,0.00356405);(266.964535,0.0038591);(267.391831,0.00320815);(268.943248,0.02439602);(281.293241,0.00403397);(282.994181,0.00784031);(293.792779,0.0032979);(303.920383,0.00361344);(309.2494,0.0032946);(310.118293,0.00327944);(326.187432,0.20413395);(327.178734,0.01010369);(328.641585,0.0034263);(334.09407,0.00394774);(335.453058,0.00323009);(339.984243,0.00363016);(345.922959,0.00386492);(346.83987,0.00399319);(359.677472,0.00344645);(364.960588,0.00363855);(373.364018,0.00331089);(376.812266,0.00317837);(383.526373,0.00447057);(385.777821,0.00433967);(398.136553,0.00418533);(400.382587,0.00412549);(401.245595,0.00365966);(404.32718,0.00342065)
LC-MS/MS	LC-ESI-Q	Positive	medium	View Spectrum	(114.091,0.03);(121.101,0.01);(124.112,0.012);(126.128,0.023);(157.101,0.01);(253.195,0.062);(271.205,0.092);(396.326,0.09);(414.336,1.0)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(70.065,0.029);(107.085,0.015);(109.101,0.032);(114.091,0.066);(121.101,0.034);(124.112,0.04);(126.128,0.068);(133.101,0.022);(145.101,0.013);(147.117,0.035);(151.112,0.012);(157.101,0.051);(159.117,0.031);(171.117,0.013);(175.112,0.027);(197.132,0.01);(253.195,0.199);(271.206,0.177);(396.326,0.212);(414.336,1.0)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(70.065,0.07);(81.07,0.023);(93.07,0.019);(95.086,0.02);(96.081,0.013);(105.07,0.012);(107.086,0.049);(109.101,0.106);(114.091,0.117);(119.086,0.027);(121.101,0.102);(124.112,0.122);(126.128,0.2);(131.085,0.031);(133.101,0.083);(135.117,0.019);(143.086,0.022);(145.101,0.052);(147.117,0.119);(149.096,0.012);(151.112,0.035);(157.101,0.16);(159.117,0.11);(161.133,0.012);(163.112,0.016);(171.117,0.045);(173.132,0.026);(175.112,0.095);(177.127,0.013);(183.117,0.016);(185.132,0.017);(197.132,0.035);(211.148,0.036);(213.164,0.019);(225.164,0.015);(253.195,0.504);(271.206,0.3);(396.326,0.443);(414.336,1.0)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(67.054,0.031);(69.07,0.014);(70.065,0.164);(79.054,0.025);(81.07,0.069);(91.054,0.016);(93.07,0.058);(95.086,0.071);(96.081,0.025);(97.065,0.014);(98.097,0.02);(105.07,0.034);(107.086,0.147);(109.101,0.257);(114.091,0.191);(117.07,0.01);(119.086,0.067);(121.101,0.236);(123.117,0.028);(124.112,0.296);(126.128,0.387);(127.112,0.014);(131.086,0.086);(133.101,0.21);(135.117,0.049);(143.086,0.06);(145.101,0.146);(147.117,0.311);(149.096,0.024);(149.132,0.016);(151.112,0.071);(157.101,0.421);(159.117,0.29);(161.096,0.01);(161.132,0.025);(163.112,0.037);(164.143,0.012);(165.127,0.01);(168.138,0.01);(169.101,0.014);(171.117,0.116);(173.132,0.068);(175.112,0.232);(177.127,0.036);(183.117,0.038);(185.132,0.044);(187.148,0.018);(197.132,0.087);(199.148,0.014);(211.148,0.096);(213.164,0.047);(224.156,0.014);(225.164,0.043);(238.172,0.016);(253.195,1.0);(271.206,0.388);(396.326,0.714);(414.337,0.758)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(67.054,0.048);(69.07,0.019);(70.065,0.209);(79.054,0.042);(81.07,0.097);(91.054,0.022);(93.07,0.096);(95.086,0.111);(96.081,0.037);(97.065,0.013);(98.096,0.027);(105.07,0.068);(107.086,0.224);(109.101,0.346);(114.091,0.168);(117.07,0.025);(119.086,0.095);(121.101,0.32);(123.117,0.037);(124.112,0.377);(126.128,0.426);(127.112,0.01);(129.07,0.019);(131.086,0.121);(133.101,0.346);(135.117,0.067);(137.096,0.01);(143.086,0.088);(145.101,0.234);(147.117,0.398);(149.096,0.032);(149.132,0.016);(151.112,0.089);(155.086,0.016);(157.101,0.625);(159.117,0.414);(161.096,0.019);(161.133,0.028);(163.112,0.039);(164.143,0.03);(169.101,0.029);(171.117,0.162);(173.132,0.101);(175.112,0.306);(177.128,0.04);(183.117,0.068);(185.133,0.068);(187.148,0.022);(197.132,0.13);(199.148,0.021);(211.148,0.127);(213.164,0.062);(224.156,0.034);(225.164,0.064);(227.18,0.015);(238.172,0.025);(242.167,0.013);(253.195,1.0);(271.206,0.27);(396.326,0.665);(414.337,0.366)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(67.054,0.081);(69.07,0.031);(70.065,0.307);(79.054,0.081);(81.07,0.175);(83.085,0.014);(86.096,0.013);(91.054,0.052);(93.07,0.197);(95.049,0.015);(95.086,0.19);(96.081,0.053);(97.065,0.024);(98.096,0.047);(105.07,0.131);(107.086,0.333);(109.101,0.488);(114.091,0.154);(117.07,0.045);(119.086,0.165);(121.101,0.447);(123.08,0.011);(123.117,0.038);(124.112,0.555);(125.12,0.019);(126.128,0.53);(129.07,0.034);(131.086,0.202);(133.101,0.529);(135.117,0.087);(137.096,0.015);(138.128,0.012);(141.07,0.013);(143.086,0.12);(145.101,0.366);(147.117,0.586);(149.096,0.031);(149.132,0.02);(150.128,0.036);(151.112,0.093);(152.143,0.01);(155.086,0.036);(157.101,0.972);(159.117,0.648);(161.096,0.021);(161.132,0.052);(162.128,0.015);(163.112,0.049);(164.143,0.066);(169.101,0.045);(171.117,0.232);(173.132,0.151);(175.112,0.372);(177.127,0.044);(178.159,0.013);(183.117,0.098);(185.132,0.124);(187.148,0.026);(197.132,0.183);(199.148,0.033);(201.164,0.01);(209.132,0.011);(211.148,0.187);(213.164,0.086);(223.148,0.012);(224.156,0.049);(225.164,0.086);(238.172,0.045);(242.166,0.015);(253.195,1.0);(271.206,0.191);(396.326,0.626);(414.336,0.143)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(67.054,0.099);(69.07,0.032);(70.065,0.314);(79.054,0.112);(81.07,0.216);(82.065,0.011);(83.086,0.018);(86.096,0.012);(91.054,0.1);(93.07,0.242);(95.049,0.015);(95.086,0.238);(96.081,0.056);(97.065,0.02);(98.097,0.042);(105.07,0.167);(107.086,0.356);(109.101,0.456);(114.091,0.113);(117.07,0.066);(119.086,0.184);(121.101,0.415);(122.096,0.014);(123.08,0.01);(123.117,0.046);(124.112,0.512);(125.12,0.018);(126.128,0.418);(129.07,0.055);(131.086,0.223);(133.101,0.546);(135.117,0.079);(138.128,0.014);(141.07,0.014);(142.078,0.033);(143.086,0.153);(145.101,0.385);(147.117,0.567);(149.096,0.02);(149.133,0.018);(150.128,0.059);(151.112,0.068);(152.144,0.013);(155.086,0.043);(157.101,1.0);(159.117,0.664);(161.096,0.017);(161.133,0.043);(162.128,0.023);(163.112,0.037);(164.143,0.076);(169.101,0.057);(171.117,0.203);(173.132,0.136);(175.112,0.278);(177.127,0.028);(178.159,0.01);(182.109,0.01);(183.117,0.119);(185.132,0.128);(187.148,0.019);(196.125,0.016);(197.132,0.19);(198.14,0.013);(199.148,0.035);(201.164,0.012);(209.132,0.018);(211.148,0.192);(213.164,0.071);(216.174,0.01);(223.148,0.016);(224.156,0.048);(225.164,0.08);(227.18,0.012);(238.172,0.049);(242.167,0.018);(253.195,0.665);(271.206,0.094);(380.296,0.015);(396.326,0.374);(414.336,0.038)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(55.054,0.017);(67.054,0.123);(69.07,0.038);(70.065,0.381);(79.054,0.114);(81.07,0.201);(83.086,0.018);(86.096,0.029);(91.054,0.111);(93.07,0.249);(95.05,0.015);(95.086,0.243);(96.081,0.053);(97.065,0.02);(98.097,0.035);(105.07,0.231);(107.086,0.365);(108.081,0.01);(109.089,0.018);(109.101,0.362);(114.091,0.084);(117.07,0.08);(119.086,0.182);(121.101,0.373);(122.096,0.015);(123.117,0.037);(124.112,0.389);(125.12,0.022);(126.128,0.268);(129.07,0.082);(131.086,0.256);(133.101,0.543);(135.117,0.065);(141.07,0.02);(142.078,0.051);(143.086,0.158);(144.093,0.017);(145.101,0.381);(147.117,0.523);(148.112,0.013);(149.096,0.014);(149.133,0.011);(150.128,0.056);(151.112,0.043);(152.143,0.017);(155.086,0.058);(157.101,1.0);(159.117,0.609);(161.097,0.01);(161.133,0.038);(162.128,0.017);(163.112,0.016);(164.144,0.072);(169.101,0.058);(171.117,0.188);(173.133,0.119);(175.112,0.222);(176.144,0.01);(177.127,0.018);(178.158,0.013);(182.109,0.014);(183.117,0.12);(184.125,0.012);(185.133,0.113);(187.148,0.01);(196.125,0.017);(197.132,0.186);(198.14,0.012);(199.148,0.038);(209.132,0.02);(211.148,0.174);(212.156,0.031);(213.164,0.038);(216.175,0.01);(223.148,0.029);(224.156,0.052);(225.164,0.074);(227.18,0.012);(238.172,0.053);(242.167,0.01);(253.195,0.387);(271.206,0.037);(380.295,0.016);(396.326,0.198)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(55.054,0.018);(58.065,0.015);(67.054,0.155);(69.07,0.057);(70.065,0.545);(79.054,0.164);(81.07,0.237);(82.065,0.017);(83.085,0.015);(86.096,0.035);(91.054,0.187);(93.07,0.342);(95.049,0.018);(95.086,0.295);(96.081,0.053);(97.065,0.029);(98.096,0.027);(105.07,0.311);(107.086,0.367);(108.08,0.018);(109.065,0.019);(109.101,0.317);(114.091,0.083);(117.07,0.103);(119.086,0.212);(121.101,0.347);(122.096,0.023);(123.117,0.027);(124.112,0.288);(126.128,0.171);(129.07,0.109);(131.086,0.296);(133.101,0.545);(135.117,0.05);(136.112,0.024);(138.128,0.012);(141.07,0.024);(142.078,0.116);(143.086,0.197);(144.093,0.031);(145.101,0.403);(147.117,0.5);(148.112,0.016);(150.128,0.068);(151.112,0.025);(152.144,0.015);(155.086,0.072);(156.093,0.022);(157.101,1.0);(159.117,0.611);(161.132,0.034);(162.128,0.026);(163.112,0.017);(164.144,0.052);(169.101,0.091);(171.117,0.189);(173.133,0.118);(175.112,0.164);(177.128,0.016);(178.159,0.013);(182.109,0.018);(183.117,0.126);(184.125,0.025);(185.132,0.094);(187.148,0.017);(196.125,0.026);(197.133,0.147);(198.14,0.037);(199.148,0.036);(209.133,0.029);(211.148,0.146);(212.156,0.028);(213.164,0.032);(223.148,0.042);(224.156,0.05);(225.164,0.065);(238.172,0.061);(253.195,0.264);(380.296,0.024);(396.326,0.086)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(58.065,0.018);(67.054,0.156);(69.07,0.058);(70.065,0.595);(79.054,0.212);(81.07,0.279);(82.065,0.023);(86.096,0.042);(91.054,0.241);(93.07,0.428);(95.049,0.033);(95.086,0.314);(96.081,0.063);(97.065,0.031);(105.07,0.41);(107.086,0.345);(109.065,0.019);(109.089,0.021);(109.101,0.291);(114.092,0.056);(115.055,0.023);(117.07,0.147);(119.086,0.267);(121.101,0.335);(123.08,0.019);(123.117,0.031);(124.112,0.253);(125.12,0.028);(126.128,0.162);(129.07,0.138);(131.086,0.331);(133.101,0.529);(135.117,0.044);(141.07,0.043);(142.078,0.191);(143.086,0.209);(144.094,0.04);(145.101,0.38);(147.117,0.452);(150.128,0.06);(155.086,0.085);(156.094,0.028);(157.101,1.0);(159.117,0.512);(161.133,0.022);(162.128,0.023);(164.143,0.042);(169.102,0.118);(171.117,0.2);(173.133,0.089);(175.112,0.105);(182.109,0.041);(183.117,0.154);(185.133,0.103);(196.125,0.033);(197.133,0.15);(198.14,0.027);(199.148,0.022);(209.133,0.027);(211.148,0.153);(212.156,0.035);(223.148,0.059);(224.156,0.045);(225.164,0.058);(238.172,0.056);(253.195,0.132);(396.327,0.052)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(55.054,0.014);(58.065,0.01);(67.054,0.287);(68.049,0.015);(69.07,0.082);(70.065,0.447);(77.039,0.02);(79.054,0.337);(80.05,0.022);(81.07,0.398);(82.065,0.044);(83.085,0.014);(84.081,0.026);(86.096,0.023);(91.054,0.443);(93.07,0.577);(94.065,0.039);(95.049,0.023);(95.073,0.058);(95.086,0.385);(96.081,0.085);(97.065,0.022);(98.096,0.046);(105.07,0.697);(107.086,0.444);(108.081,0.046);(109.065,0.019);(109.089,0.04);(109.101,0.273);(110.096,0.041);(111.104,0.017);(114.091,0.04);(115.054,0.027);(117.07,0.261);(118.078,0.019);(119.086,0.35);(121.101,0.286);(122.096,0.06);(123.117,0.019);(124.112,0.428);(125.12,0.038);(126.128,0.231);(128.062,0.058);(129.07,0.234);(130.078,0.065);(131.086,0.489);(133.101,0.627);(134.097,0.012);(135.117,0.042);(136.112,0.037);(138.128,0.023);(141.07,0.075);(142.078,0.323);(143.086,0.297);(144.093,0.102);(145.101,0.424);(147.117,0.433);(148.112,0.079);(149.12,0.016);(150.128,0.153);(152.143,0.015);(154.077,0.014);(155.086,0.122);(156.093,0.052);(157.101,1.0);(159.117,0.529);(161.133,0.024);(162.128,0.082);(163.135,0.014);(164.143,0.105);(167.086,0.024);(168.093,0.033);(169.101,0.159);(171.117,0.185);(173.132,0.084);(175.112,0.067);(176.144,0.029);(178.159,0.015);(181.101,0.04);(182.109,0.056);(183.117,0.17);(185.132,0.091);(195.117,0.042);(196.125,0.051);(197.132,0.155);(198.141,0.025);(199.148,0.033);(202.159,0.013);(203.167,0.015);(204.175,0.032);(209.132,0.05);(210.141,0.011);(211.148,0.121);(213.164,0.016);(216.175,0.016);(223.148,0.069);(224.157,0.03);(225.164,0.03);(238.172,0.042);(253.195,0.069);(380.294,0.046);(396.326,0.034)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(55.054,0.023);(67.054,0.35);(68.05,0.021);(69.07,0.083);(70.065,0.562);(77.039,0.047);(79.054,0.452);(80.049,0.051);(81.07,0.447);(82.065,0.069);(83.049,0.014);(83.086,0.02);(84.081,0.037);(86.096,0.026);(91.054,0.667);(93.07,0.684);(94.065,0.051);(95.049,0.028);(95.073,0.083);(95.086,0.41);(96.081,0.112);(97.065,0.02);(98.096,0.049);(103.054,0.014);(105.07,1.0);(107.086,0.463);(108.081,0.075);(109.065,0.02);(109.089,0.067);(109.101,0.261);(110.096,0.044);(111.104,0.021);(114.091,0.032);(115.054,0.041);(116.062,0.027);(117.07,0.334);(118.078,0.031);(119.086,0.413);(121.101,0.249);(122.096,0.083);(123.117,0.019);(124.112,0.422);(125.12,0.048);(126.128,0.223);(128.062,0.118);(129.07,0.347);(130.078,0.104);(131.086,0.595);(133.101,0.629);(134.096,0.02);(135.117,0.029);(136.112,0.047);(138.128,0.022);(141.07,0.112);(142.078,0.486);(143.085,0.342);(144.093,0.145);(145.101,0.449);(147.117,0.441);(148.112,0.102);(149.12,0.029);(150.128,0.203);(152.144,0.017);(153.069,0.014);(154.077,0.027);(155.086,0.179);(156.093,0.079);(157.101,0.962);(159.117,0.445);(161.132,0.017);(162.128,0.099);(163.135,0.017);(164.143,0.125);(167.086,0.05);(168.094,0.045);(169.101,0.189);(171.117,0.182);(173.133,0.067);(174.128,0.011);(175.112,0.035);(176.143,0.024);(178.159,0.018);(181.101,0.077);(182.109,0.069);(183.117,0.185);(185.132,0.08);(188.143,0.017);(190.159,0.015);(195.116,0.039);(196.125,0.057);(197.132,0.143);(198.14,0.021);(199.148,0.015);(202.159,0.028);(203.167,0.02);(204.175,0.037);(209.132,0.056);(211.148,0.087);(212.157,0.032);(216.175,0.025);(223.148,0.088);(224.157,0.03);(225.164,0.027);(237.164,0.016);(238.171,0.042);(253.195,0.026);(380.295,0.042);(396.328,0.012)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(58.065,0.012);(67.054,0.335);(68.05,0.023);(69.07,0.091);(70.065,0.522);(77.039,0.05);(79.054,0.45);(80.05,0.048);(81.07,0.428);(82.065,0.074);(83.086,0.015);(84.081,0.026);(86.096,0.025);(91.054,0.693);(93.07,0.662);(94.065,0.065);(95.049,0.037);(95.073,0.08);(95.086,0.345);(96.081,0.106);(97.065,0.016);(98.096,0.054);(103.054,0.027);(105.07,1.0);(107.086,0.364);(108.081,0.08);(109.065,0.016);(109.088,0.05);(109.101,0.178);(110.096,0.061);(111.104,0.015);(114.091,0.022);(115.054,0.052);(116.062,0.048);(117.07,0.32);(118.078,0.027);(119.086,0.382);(121.101,0.152);(122.096,0.081);(124.112,0.284);(125.12,0.029);(126.128,0.127);(128.062,0.145);(129.07,0.362);(130.078,0.1);(131.086,0.504);(133.101,0.456);(134.096,0.022);(135.117,0.019);(136.112,0.045);(138.127,0.026);(141.07,0.154);(142.078,0.558);(143.085,0.3);(144.093,0.13);(145.101,0.348);(147.117,0.291);(148.112,0.094);(149.119,0.021);(150.128,0.2);(152.143,0.012);(153.07,0.024);(154.077,0.027);(155.086,0.165);(156.093,0.085);(157.101,0.656);(159.117,0.303);(161.132,0.011);(162.128,0.088);(164.143,0.098);(167.086,0.068);(168.093,0.05);(169.101,0.17);(171.117,0.12);(173.132,0.034);(175.112,0.01);(176.143,0.029);(181.101,0.088);(182.109,0.059);(183.117,0.16);(185.133,0.048);(188.142,0.018);(190.158,0.013);(195.117,0.032);(196.125,0.046);(197.132,0.106);(199.148,0.018);(202.159,0.02);(204.175,0.026);(209.133,0.049);(211.148,0.044);(216.174,0.021);(223.148,0.077);(225.164,0.012);(237.163,0.017);(238.172,0.019);(253.195,0.013);(380.295,0.032)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(55.054,0.016);(58.065,0.011);(65.038,0.012);(67.054,0.353);(68.049,0.022);(69.07,0.07);(70.065,0.488);(77.039,0.071);(79.054,0.482);(80.05,0.052);(81.07,0.395);(82.065,0.076);(84.081,0.031);(86.096,0.023);(91.054,0.744);(92.062,0.011);(93.07,0.55);(94.065,0.08);(95.049,0.035);(95.073,0.067);(95.086,0.29);(96.081,0.089);(98.096,0.039);(103.054,0.028);(105.07,1.0);(107.073,0.017);(107.086,0.275);(108.081,0.096);(109.065,0.013);(109.088,0.039);(109.101,0.123);(110.096,0.052);(114.092,0.013);(115.054,0.087);(116.062,0.038);(117.07,0.349);(118.078,0.038);(119.086,0.333);(120.081,0.014);(121.101,0.116);(122.096,0.061);(124.112,0.24);(125.12,0.026);(126.128,0.098);(128.062,0.178);(129.07,0.405);(130.078,0.126);(131.086,0.425);(133.101,0.327);(134.096,0.022);(136.112,0.047);(138.128,0.018);(141.07,0.159);(142.078,0.568);(143.085,0.271);(144.093,0.128);(145.101,0.243);(147.117,0.213);(148.112,0.101);(149.12,0.018);(150.128,0.169);(153.07,0.028);(154.078,0.031);(155.086,0.158);(156.093,0.069);(157.101,0.46);(159.117,0.192);(162.128,0.079);(164.143,0.08);(167.086,0.064);(168.093,0.05);(169.101,0.138);(171.117,0.091);(173.132,0.024);(176.143,0.024);(181.101,0.082);(182.109,0.047);(183.117,0.133);(185.133,0.024);(188.144,0.02);(195.116,0.041);(196.125,0.035);(197.133,0.086);(199.148,0.015);(202.16,0.023);(204.175,0.025);(209.133,0.044);(210.141,0.012);(211.148,0.026);(212.156,0.011);(216.175,0.013);(223.148,0.069);(225.164,0.01);(237.164,0.011);(238.172,0.014);(380.295,0.016)
LC-MS/MS	LC-ESI-Q	Positive	high	View Spectrum	(55.054,0.018);(65.038,0.012);(67.054,0.332);(68.049,0.021);(69.07,0.093);(70.065,0.456);(77.039,0.089);(79.054,0.498);(80.049,0.068);(81.07,0.381);(82.065,0.073);(83.049,0.011);(84.081,0.032);(86.096,0.019);(91.054,0.897);(92.062,0.011);(93.07,0.499);(94.065,0.103);(95.049,0.031);(95.073,0.082);(95.086,0.231);(96.081,0.094);(98.096,0.036);(103.054,0.039);(105.07,1.0);(107.073,0.015);(107.086,0.228);(108.081,0.097);(109.065,0.011);(109.089,0.056);(109.101,0.096);(110.096,0.064);(111.104,0.014);(114.091,0.013);(115.054,0.121);(116.062,0.055);(117.07,0.334);(118.078,0.042);(119.086,0.333);(120.081,0.02);(121.101,0.081);(122.096,0.071);(124.112,0.191);(125.12,0.023);(126.128,0.076);(128.062,0.221);(129.07,0.43);(130.078,0.132);(131.085,0.407);(133.101,0.278);(134.096,0.029);(135.104,0.013);(135.116,0.011);(136.112,0.044);(138.128,0.011);(141.07,0.224);(142.078,0.599);(143.085,0.246);(144.093,0.132);(145.101,0.203);(147.117,0.156);(148.112,0.096);(149.12,0.017);(150.128,0.184);(153.07,0.037);(154.078,0.035);(155.086,0.182);(156.093,0.08);(157.101,0.369);(159.117,0.115);(162.128,0.075);(164.143,0.044);(167.085,0.087);(168.093,0.057);(169.101,0.124);(171.116,0.056);(173.133,0.017);(176.144,0.021);(181.101,0.081);(182.109,0.049);(183.117,0.109);(185.132,0.019);(188.143,0.024);(195.117,0.039);(196.125,0.025);(197.132,0.068);(202.159,0.025);(204.175,0.02);(209.133,0.04);(211.148,0.018);(223.148,0.049)
LC-MS/MS	ESI- LC-Q-TOF/MS	Positive	low	View Spectrum	(69.0403,0.084);(70.0179,0.103);(79.0258,0.321);(81.5284,0.092);(90.5279,0.278);(99.52,0.999);(100.0217,0.081);(100.5161,0.188);(105.0773,0.353);(111.0279,0.4);(112.0221,0.126);(121.0744,0.286);(175.0376,0.168);(399.0752,0.097);(414.1088,0.324);(414.1886,0.228)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(57.07042529,0.6483307653);(72.08132432,0.5945647726);(125.09664,0.6731656004);(179.1435902,0.6727778795);(222.1857894,0.6937462578);(231.1748904,0.5377883947);(236.2014395,1.009697584);(250.2170895,0.6937462578);(276.2327396,0.6937462578);(290.2483896,1.009057768);(302.2483896,0.7930988281);(304.2640397,0.5599971216);(324.2327396,0.6160210192);(326.2483896,2.465815714);(330.2796898,2.046313869);(340.2640397,0.5771897435);(342.2433043,1.606677449);(342.2796898,0.6685902029);(344.2589543,2.009920192);(348.2902545,1.801974228);(354.2796898,0.7230075643);(356.2953398,0.5074354311);(370.3109899,0.5683858726);(380.2953398,0.5803472592);(382.3109899,0.7540614163);(384.32664,1.288620594);(385.3106556,0.9534257003);(396.32664,36.35944989);(397.3106556,0.5774159285);(398.3059045,1.534096865);(414.3372046,35.78153357)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(72.08132432,2.683709096);(107.0860754,1.584188465);(109.0653399,2.150174136);(125.09664,1.455509309);(159.1173755,2.301285614);(213.1643257,2.149529743);(227.1799757,2.222738708);(234.1857894,1.705118299);(236.2014395,2.119599153);(253.1956258,12.24324679);(257.2269259,1.962113409);(271.2061905,8.422026786);(281.2269259,1.828875109);(288.2327396,1.705118299);(290.2483896,1.700790805);(297.2218405,1.750797795);(299.2374906,3.73353605);(300.2327396,1.554405076);(301.2531407,2.422651908);(317.2480553,2.074791376);(340.2640397,2.192669035);(342.2796898,2.093691266);(354.2796898,3.041899414);(356.2953398,2.231494616);(368.2953398,3.09123311);(370.3109899,1.590605879);(372.2902545,1.424650229);(384.32664,1.486367774);(396.32664,13.18152431);(398.3059045,1.710948122);(414.3372046,10.18471032)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03912516,4.096118197);(53.03912516,2.395612478);(55.05477522,3.053350118);(67.05477522,2.397712057);(69.07042529,3.477666705);(71.08607535,4.670667325);(107.0860754,3.657383543);(126.1282745,2.640806924);(147.1173755,2.539701543);(213.1643257,6.06216777);(217.1956258,2.368124316);(218.1544893,2.594075159);(220.1701393,2.485131212);(227.1799757,3.085436805);(229.1956258,3.45853572);(231.1748904,2.401391722);(236.2014395,2.347760769);(246.1857894,2.594075159);(248.2014395,2.485131212);(272.2014395,2.594075159);(274.2170895,2.485131212);(299.2374906,2.342633902);(300.2327396,2.355013401);(340.2640397,4.046017192);(354.2796898,5.447780904);(368.2953398,4.326382377);(370.3109899,3.298009635);(380.2953398,3.460607969);(382.3109899,2.876243872);(384.32664,4.361890359);(398.3059045,3.595365283)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.1954137799);(69.07042529,0.3013289061);(96.08132432,0.2601375521);(112.0762389,1.832156321);(124.1126244,0.2828321104);(137.09664,0.1606178803);(140.1075391,0.1348809609);(163.1122901,0.1606178803);(191.1435902,0.1606178803);(220.1701393,0.1606178803);(248.2014395,0.1606178803);(274.2170895,0.1606178803);(299.2374906,0.2206354037);(342.2433043,0.4862634474);(354.2433043,0.1392219372);(356.2589543,0.3799901027);(365.2844408,0.1477237223);(368.2953398,0.1667403347);(380.2953398,0.2184176771);(381.2793554,0.2637245296);(382.3109899,1.019871971);(383.2950055,1.543990113);(384.2902545,0.2326170313);(384.2902545,0.4237436358);(385.3106556,0.311914629);(386.3059045,0.1809774139);(394.3109899,13.22736085);(395.2950055,1.617433364);(396.2902545,0.4949681005);(396.2902545,1.100382936);(412.3215546,73.85356589)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,1.089165227);(29.03912516,1.139876302);(96.08132432,0.5342626013);(98.09697438,0.3832852575);(112.0762389,0.8066576017);(124.1126244,0.8229740149);(126.1282745,0.3099063223);(140.1075391,0.5025485421);(287.2011051,0.5065980605);(299.2374906,0.4901496652);(315.2324052,0.7402876834);(324.2327396,1.903493887);(327.2324052,0.3565220162);(340.2276542,3.290521718);(341.2480553,0.8162091622);(342.2433043,14.54199949);(354.2433043,0.3511261704);(356.2589543,0.3756467012);(370.2746044,0.4503641514);(376.3004252,0.4302733048);(382.2746044,0.3414349496);(382.3109899,0.7519401311);(383.2950055,0.8860897679);(384.2902545,1.362216793);(386.3059045,0.8820861261);(386.3059045,0.5913773526);(394.3109899,21.14628901);(395.2950055,0.7729308358);(396.2902545,0.6202176346);(396.2902545,2.74327825);(412.3215546,40.06027128)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(43.01838972,1.43220007);(54.03437413,7.360169852);(68.05002419,6.979138836);(70.02928875,1.325003038);(84.04493881,1.290223671);(96.08132432,2.767346638);(108.0813243,2.21126445);(112.0762389,4.364967426);(122.0969744,1.261655758);(124.1126244,2.558668297);(166.1231891,1.481486317);(271.2061905,1.435967373);(287.2011051,3.619393712);(297.2218405,2.110903663);(299.2374906,2.319429052);(324.2327396,1.720403609);(326.2120041,1.314413718);(327.2324052,2.976786186);(338.2483896,1.479008812);(338.2483896,1.818783806);(340.2276542,5.684774751);(341.2480553,1.53942312);(342.2433043,12.01867317);(344.2589543,3.571600381);(354.2433043,3.26659918);(356.2589543,7.34380807);(370.2746044,1.892035343);(382.3109899,1.464979079);(383.2950055,1.338965735);(394.3109899,3.453982754);(396.2902545,6.597944133)

Food Sources

	Name	Group
	Eggplant	Vegetables, Fruit vegetables	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Solasodine