PhytoHub: Showing entry for Piperine

Piperine

Identification

PhytoHub ID

PHUB000843

Name

Piperine

Systematic Name

Not Available

Synonyms

1-Piperinoylpiperidine

CAS Number

Not Available

Average Mass

285.343

Monoisotopic Mass

285.136493476

Chemical Formula

C₁₇H₁₉NO₃

IUPAC Name

(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

InChI Key

MXXWOMGUGJBKIW-YPCIICBESA-N

InChI Identifier

InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

SMILES

O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.49e-01 g/l
LogS (ALOGPS): -3.28
LogP (ALOGPS): 3.38
Hydrogen Acceptors: 3
Hydrogen Donors: 0
Rotatable Bond Count: 3
Polar Surface Area: 38.77
Refractivity: 82.903
Polarizability: 31.97068696383666
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -0.13200194795020023
pKa (strongest acidic): Not Available
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: No

External Links

ChEBI: 28821
PubChem: 638024
Chemistry Dashboard: DTXSID3021805
KNApSAcK: C00002065
MetaboLights: MTBLC28821
PeakForestCompound: 000643

Taxonomy as Food Phytochemical

Family: N-containing compounds
Class: Alkaloids
Sub-class: Pyrrolidine and piperidine alkaloids

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Not Available
Super-class: Alkaloids and derivatives
Sub-class: Not Available
Direct Parent Name: Alkaloids and derivatives
Alternative Parent Names: ["Acetals", "Azacyclic compounds", "Benzodioxoles", "Carbonyl compounds", "Hydrocarbon derivatives", "N-acylpiperidines", "Organic oxides", "Organonitrogen compounds", "Organopnictogen compounds", "Oxacyclic compounds", "Styrenes", "Tertiary carboxylic acid amides"]
External Descriptor Annotations: ["N-acylpiperidine", "Piperidine alkaloids", "benzodioxoles", "carboxamide", "piperidine alkaloid"]
Substituent Names: ["Acetal", "Alkaloid or derivatives", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Benzodioxole", "Carbonyl group", "Carboxamide group", "Carboxylic acid derivative", "Hydrocarbon derivative", "N-acyl-piperidine", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Oxacycle", "Piperidine", "Styrene", "Tertiary carboxylic acid amide"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	EI-B	positive	Not Available	View Spectrum	(113.0,1.8);(115.0,20.5);(116.0,9.8);(117.0,0.12);(136.0,1.4);(137.0,13.8);(138.0,2.5);(143.0,1.72);(144.0,9.4);(148.0,4.0);(150.0,4.5);(156.0,0.2);(159.0,3.6);(164.0,1.1);(171.0,9.2);(172.0,2.17);(173.0,40.8);(174.0,30.5);(175.0,3.0);(200.0,2.26);(201.0,99.6);(202.0,32.6);(203.0,4.9);(284.0,1.0);(285.0,99.99);(286.0,20.0);(287.0,2.5)
GC-MS	EI-B	positive	Not Available	View Spectrum	(28.0,1.62);(29.0,1.24);(42.0,1.06);(44.0,1.26);(45.0,1.46);(55.0,2.24);(56.0,1.76);(57.0,1.02);(60.0,1.12);(69.0,3.2);(70.0,1.46);(71.0,1.02);(82.0,1.0);(83.0,2.16);(84.0,25.64);(85.0,4.26);(86.0,1.31);(91.0,1.07);(96.0,1.49);(97.0,1.1);(98.0,1.12);(99.0,1.83);(103.0,1.57);(109.0,1.0);(112.0,8.72);(113.0,3.86);(114.0,2.72);(115.0,51.49);(116.0,15.2);(117.0,4.02);(122.0,2.7);(123.0,1.02);(127.0,1.41);(129.0,1.01);(131.0,1.37);(135.0,4.34);(136.0,2.83);(137.0,14.16);(138.0,4.1);(143.0,23.75);(144.0,12.97);(145.0,2.31);(148.0,4.47);(149.0,1.28);(150.0,3.61);(156.0,2.42);(157.0,1.13);(159.0,5.65);(160.0,1.09);(164.0,2.29);(170.0,1.19);(171.0,16.3);(172.0,22.15);(173.0,40.27);(174.0,32.06);(175.0,4.32);(187.0,1.83);(199.0,1.3);(200.0,20.57);(201.0,99.99);(202.0,30.79);(203.0,4.33);(229.0,1.35);(256.0,2.78);(257.0,2.03);(268.0,1.56);(271.0,1.58);(284.0,8.95);(285.0,81.79);(286.0,15.72);(287.0,2.49)
GC-MS	EI-B	positive	Not Available	View Spectrum	(113.0,1.8);(115.0,20.5);(116.0,9.8);(117.0,0.12);(136.0,1.4);(137.0,13.8);(138.0,2.5);(143.0,1.72);(144.0,9.4);(148.0,4.0);(150.0,4.5);(156.0,0.2);(159.0,3.6);(164.0,1.1);(171.0,9.2);(172.0,2.17);(173.0,40.8);(174.0,30.5);(175.0,3.0);(200.0,2.26);(201.0,99.6);(202.0,32.6);(203.0,4.9);(284.0,1.0);(285.0,99.99);(286.0,20.0);(287.0,2.5)
GC-MS	EI-B	positive	Not Available	View Spectrum	(28.0,1.62);(29.0,1.24);(42.0,1.06);(44.0,1.26);(45.0,1.46);(55.0,2.24);(56.0,1.76);(57.0,1.02);(60.0,1.12);(69.0,3.2);(70.0,1.46);(71.0,1.02);(82.0,1.0);(83.0,2.16);(84.0,25.64);(85.0,4.26);(86.0,1.31);(91.0,1.07);(96.0,1.49);(97.0,1.1);(98.0,1.12);(99.0,1.83);(103.0,1.57);(109.0,1.0);(112.0,8.72);(113.0,3.86);(114.0,2.72);(115.0,51.49);(116.0,15.2);(117.0,4.02);(122.0,2.7);(123.0,1.02);(127.0,1.41);(129.0,1.01);(131.0,1.37);(135.0,4.34);(136.0,2.83);(137.0,14.16);(138.0,4.1);(143.0,23.75);(144.0,12.97);(145.0,2.31);(148.0,4.47);(149.0,1.28);(150.0,3.61);(156.0,2.42);(157.0,1.13);(159.0,5.65);(160.0,1.09);(164.0,2.29);(170.0,1.19);(171.0,16.3);(172.0,22.15);(173.0,40.27);(174.0,32.06);(175.0,4.32);(187.0,1.83);(199.0,1.3);(200.0,20.57);(201.0,99.99);(202.0,30.79);(203.0,4.33);(229.0,1.35);(256.0,2.78);(257.0,2.03);(268.0,1.56);(271.0,1.58);(284.0,8.95);(285.0,81.79);(286.0,15.72);(287.0,2.49)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,1.026085457);(27.02292522,2.56769415);(28.03074982,0.9524203038);(39.02292522,0.9062279121);(41.03857442,2.287577072);(42.04639902,1.109181587);(55.05422362,1.346851481);(56.06204822,1.446437471);(84.08077062,2.873019744);(112.0756847,2.097762022);(134.0362272,0.9814145686);(135.0440518,1.394897665);(171.0440518,1.321701869);(172.0518764,1.314978513);(173.059701,2.187701091);(174.0675256,0.9316313951);(201.0546151,3.156143836);(239.1304569,0.8817629963);(242.0811621,1.292701818);(243.0889867,1.003092942);(253.1097218,0.9031264319);(255.125371,1.735280355);(256.0968113,1.316830927);(257.1046359,2.047016612);(267.125371,1.57986171);(268.1331956,2.127706057);(269.1046359,0.8905618993);(270.1124605,1.551219129);(283.1202851,0.9187284477);(284.1281097,1.505841034);(285.1359343,1.115377013)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(25.00727602,1.026085457);(27.02292522,2.56769415);(28.03074982,0.9524203038);(39.02292522,0.9062279121);(41.03857442,2.287577072);(42.04639902,1.109181587);(55.05422362,1.346851481);(56.06204822,1.446437471);(84.08077062,2.873019744);(112.0756847,2.097762022);(134.0362272,0.9814145686);(135.0440518,1.394897665);(171.0440518,1.321701869);(172.0518764,1.314978513);(173.059701,2.187701091);(174.0675256,0.9316313951);(201.0546151,3.156143836);(239.1304569,0.8817629963);(242.0811621,1.292701818);(243.0889867,1.003092942);(253.1097218,0.9031264319);(255.125371,1.735280355);(256.0968113,1.316830927);(257.1046359,2.047016612);(267.125371,1.57986171);(268.1331956,2.127706057);(269.1046359,0.8905618993);(270.1124605,1.551219129);(283.1202851,0.9187284477);(284.1281097,1.505841034);(285.1359343,1.115377013)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(94.99791,220.0);(95.04731,176.0);(96.064079,240.0);(97.028595,424.0);(99.994965,64.0);(102.260574,152.0);(102.869286,104.0);(103.601318,44.0);(103.850639,152.0);(103.95208,104.0);(104.887604,136.0);(105.069092,140.0);(105.649277,212.0);(105.722931,216.0);(106.857628,232.0);(107.049049,188.0);(108.250862,140.0);(108.505714,124.0);(111.00988,140.0);(111.257454,96.0);(111.83551,168.0);(112.012383,116.0);(112.075584,44.0);(117.070953,220.0);(119.049858,1136.0);(119.119148,36.0);(119.247337,56.0);(119.998329,180.0);(120.050659,312.0);(120.260094,48.0);(121.071198,204.0);(121.428421,104.0);(121.876236,72.0);(122.893448,180.0);(123.041183,128.0);(123.578369,112.0);(125.022896,172.0);(125.054054,204.0);(125.200989,140.0);(127.042725,140.0);(128.787216,108.0);(130.641403,104.0);(131.568909,124.0);(133.328003,104.0);(133.592422,116.0);(136.983734,160.0);(141.076324,128.0);(143.874786,120.0);(144.417206,256.0);(145.353897,160.0);(146.801987,156.0);(146.980484,176.0);(147.019104,64.0);(147.043518,1848.0);(147.284668,48.0);(147.31366,68.0);(147.555328,132.0);(148.044281,196.0);(149.765991,152.0);(150.600128,148.0);(150.68808,204.0);(151.047424,188.0);(152.059784,292.0);(152.604675,144.0);(152.83696,108.0);(152.853088,200.0);(152.944153,152.0);(152.966293,96.0);(153.018402,8304.0);(153.086945,32.0);(153.138321,60.0);(153.242981,104.0);(153.30864,88.0);(153.325897,120.0);(153.397369,56.0);(153.574905,40.0);(153.853745,228.0);(154.020798,520.0);(154.098236,208.0);(155.021164,136.0);(155.209549,104.0);(155.340988,116.0);(155.822586,72.0);(157.066177,184.0);(161.053558,180.0);(161.692871,64.0);(162.171555,64.0);(169.061081,100.0);(171.040024,104.0);(172.03186,160.0);(174.081909,160.0);(177.027451,140.0);(178.016556,112.0);(180.904037,160.0);(181.070038,132.0);(186.253998,84.0);(187.64183,152.0);(189.050812,152.0);(204.060349,152.0);(213.050385,168.0);(231.069946,248.0);(239.899094,136.0);(240.858749,148.0);(248.090622,120.0);(255.065277,128.0);(273.074707,388.0);(274.073151,168.0);(286.524506,80.0);(288.0513,260.0);(305.040161,144.0);(307.066559,48.0);(308.068329,100.0);(316.546387,20.0);(324.020813,104.0);(329.041382,144.0);(329.18222,48.0);(339.575989,20.0);(347.054535,160.0);(379.07254,20.0);(750.681335,20.0);(839.674377,160.0);(906.275818,192.0);(960.397339,64.0);(966.356201,180.0);(982.230835,236.0);(1030.016724,132.0);(1071.602051,136.0);(1093.209961,172.0);(1123.936768,80.0);(1130.077026,148.0);(1131.408813,212.0);(1152.60144,176.0);(1166.555908,92.0);(1167.596191,236.0);(1194.627319,188.0);(1198.372437,204.0);(1202.703125,176.0);(1213.557007,228.0);(1214.777588,156.0);(1238.764282,140.0);(1244.655396,164.0);(1244.873047,40.0);(1283.345337,132.0);(1288.634033,48.0);(1313.08313,212.0);(1325.835815,168.0);(1381.425293,104.0);(1419.528931,176.0);(1424.617554,148.0);(1443.860352,156.0);(1446.24353,160.0);(1453.124146,204.0);(1453.73877,200.0);(1478.735352,156.0);(1491.674805,144.0);(1495.451416,144.0)
LC-MS/MS	LC-ESI-IT	positive	Not Available	View Spectrum	(84.1,0.3);(86.1,0.2);(112.1,0.5);(134.5,0.3);(135.1,2.9);(136.1,0.1);(143.1,0.2);(150.2,0.3);(151.2,0.2);(171.1,0.3);(173.1,1.2);(174.2,0.2);(185.2,0.1);(201.1,100.0);(202.1,5.3);(203.2,0.3);(215.1,0.4);(216.3,0.1);(218.1,0.2);(258.2,0.1);(268.2,0.1)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(84.137183,0.697599);(112.183325,1.108012);(135.171448,5.993194);(150.23821,0.736029);(171.220754,0.622822);(173.227287,2.655922);(201.11052,100.0);(203.051222,0.647692);(215.110693,0.891534);(268.273472,0.524622)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(84.115056,0.667011);(112.176073,1.111672);(135.169191,6.567553);(150.225483,0.77375);(171.210816,0.635471);(173.205694,2.589635);(201.113771,100.0);(203.059332,0.62058);(215.115601,0.819249)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(84.092589,0.537905);(112.132861,0.940907);(135.128901,4.666949);(150.164172,0.557657);(171.153087,0.521859);(173.15879,2.111759);(201.119291,100.0);(215.118054,0.583503)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(84.319885,0.91371);(86.349999,0.7064);(112.403243,1.634615);(135.406859,9.481017);(143.404863,0.727003);(150.450632,1.190015);(151.442278,0.671595);(171.477159,1.185024);(173.484999,4.100231);(201.106401,100.0);(203.060454,1.362304);(215.113532,2.011842);(268.217988,0.510088);(287.182973,1.283883)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(84.345092,0.989309);(86.380009,0.677356);(112.429047,1.672137);(135.417447,9.435785);(143.418663,0.691459);(150.501631,1.172282);(151.500003,0.657227);(171.507763,1.179833);(173.496376,4.248713);(201.1318,100.0);(203.044618,1.432181);(215.110367,2.132374);(268.20895,0.541247);(287.172155,3.074533)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(84.249676,1.018883);(86.276286,0.720457);(112.315184,1.710389);(135.299238,9.484521);(143.308232,0.686116);(150.365933,1.147043);(151.372135,0.649263);(171.358606,1.060449);(173.365914,4.17391);(201.131732,100.0);(203.042042,1.084074);(215.107258,1.503139)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(171.026564,0.24557);(201.040251,3.350294);(202.000002,0.188018);(213.024189,0.168829);(215.0891,0.266749);(227.000002,0.297251);(227.250002,0.322478);(231.115997,0.314721);(243.082123,0.234649);(244.080613,0.213896);(251.139645,0.22024);(252.058793,0.193155);(259.067291,0.206168);(260.130397,0.164014);(261.179303,0.237124);(262.111423,0.143997);(265.147386,0.16422);(269.143496,0.222094);(277.019547,0.151469);(283.237914,0.702558);(284.300812,0.524886);(285.219725,0.594334);(286.14518,17.510339);(287.158846,3.257553);(288.146083,0.758617);(289.082686,0.177204);(291.13397,0.176556);(297.333338,0.158694);(301.18544,0.135796);(305.17863,0.602946);(305.666671,0.26958);(306.338865,0.187724);(309.278881,0.209185);(311.317865,4.148183);(312.272585,0.974958);(313.079407,0.242113);(315.166672,0.207869);(317.171538,0.903616);(318.160559,0.321805);(321.069729,0.314081);(321.416672,0.141155);(331.250006,0.212411);(332.173339,0.15581);(336.059703,0.141139);(338.064113,0.340609);(341.750006,0.151134);(342.166673,0.183565);(347.176611,0.399592);(349.167011,0.168787);(351.143741,0.13479);(353.250006,0.161431);(357.153635,0.165896);(361.147826,0.218889);(365.102553,0.201352);(367.58334,0.347983);(367.83334,0.243471);(368.250007,0.434482);(369.166673,0.1705);(369.916673,0.149424);(370.166673,0.325465);(371.196185,0.922023);(372.145002,0.271345);(373.077368,0.197926);(375.270341,0.196196);(376.08334,0.137681);(376.416674,0.170064);(381.244166,0.150352);(384.124592,1.459623);(385.12441,0.379472);(391.207749,0.608333);(393.211549,0.203757);(394.295842,0.184746);(396.658259,0.224376);(397.250008,0.526052);(397.656165,2.531976);(398.162969,1.838702);(398.666674,0.381841);(400.250008,0.139482);(401.083341,0.329227);(401.333341,0.372966);(402.333341,0.179442);(403.188041,0.137492);(411.12146,0.25146);(412.166675,0.144155);(413.353754,0.253314);(415.333341,0.153659);(420.227521,0.284801);(420.583342,0.152016);(421.230149,0.337225);(422.284608,0.207873);(425.32658,0.143609);(426.666675,0.373785);(427.717288,26.941684);(428.166675,12.97149);(428.666675,2.921549);(429.416675,0.233024);(430.235766,0.294976);(435.250009,0.16863);(437.240717,0.25394);(438.22433,0.590116);(440.250009,0.189723);(441.166675,0.265074);(443.083342,0.139813);(443.416676,0.202504);(444.166676,0.135633);(444.416676,0.171309);(447.333342,0.17851);(447.666676,0.341616);(448.213475,0.828657);(449.310171,0.198802);(450.166676,0.14818);(450.416676,0.18462);(451.176105,0.821805);(453.238611,0.393268);(454.216359,0.804974);(454.833343,0.257056);(455.285007,0.81585);(456.333343,0.265001);(457.213276,0.631879);(458.129631,0.269395);(459.284473,0.308554);(464.277581,0.300956);(465.201525,0.218846);(467.121286,0.151701);(469.166676,0.275191);(469.416676,0.231239);(471.117528,0.438945);(479.416677,0.15696);(480.2095,0.324555);(480.833343,0.142719);(481.245573,0.677713);(482.206777,0.740582);(482.833343,0.228547);(483.166677,0.434415);(483.583343,0.24449);(483.75001,0.312344);(484.251001,0.996056);(484.75001,0.741182);(485.166677,1.201263);(486.179326,0.961482);(487.275292,0.14001);(488.092994,0.145152);(489.25001,0.140234);(490.166677,0.158494);(490.333344,0.229407);(492.047266,8.669504);(493.108932,2.266186);(496.00001,0.155117);(496.25001,0.191448);(497.22164,0.613004);(498.212922,0.712244);(499.194038,0.891168);(508.284085,0.400059);(509.299269,0.642954);(510.212025,3.063245);(511.239421,6.024002);(512.192995,0.76257);(512.750011,0.456382);(513.457062,2.395596);(514.166678,0.190087);(515.250011,0.186844);(519.083344,0.170692);(522.416678,0.174296);(524.083345,0.44555);(524.333345,0.491867);(525.263769,0.761324);(526.287834,2.475166);(527.258466,1.989048);(528.166678,0.203329);(528.33581,0.252052);(530.750011,0.143205);(531.083345,0.295155);(531.500012,0.485819);(531.750012,0.47381);(532.000012,0.343938);(533.35271,0.165302);(534.314086,0.165384);(534.679513,0.152088);(535.000012,0.201599);(535.250012,0.503154);(538.000012,0.341641);(538.333345,0.517268);(539.254435,4.657144);(540.280796,3.223859);(540.833345,1.294191);(541.250012,2.350973);(542.333345,0.245015);(543.166679,0.148465);(543.416679,0.158787);(544.288915,0.146927);(548.330551,0.13636);(549.333345,0.232703);(552.250012,0.849566);(553.290847,4.788927);(554.083346,0.240375);(554.500012,0.251173);(561.750012,0.145774);(570.348899,5.562068)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(164.937303,0.069096);(166.083334,0.102355);(168.666667,0.05441);(175.166668,0.063781);(176.916668,0.085669);(177.166668,0.052951);(182.703567,0.071032);(183.918814,0.076619);(185.166668,0.117253);(185.880408,0.053761);(189.102462,0.125201);(191.114906,0.246627);(191.965175,0.083325);(198.182241,0.057475);(198.927778,0.103594);(199.250002,0.056752);(200.123187,0.264528);(200.500002,0.066411);(201.02882,1.580926);(202.083335,0.235483);(202.118654,0.235483);(202.916668,0.053213);(203.083335,0.082852);(209.083335,0.09409);(209.192305,0.09409);(210.195264,0.053765);(212.833335,0.066376);(213.166669,0.076311);(214.063077,0.05983);(215.097438,0.670277);(215.500002,0.085198);(216.140271,0.22109);(217.583335,0.058622);(218.083336,0.087846);(219.166669,0.05275);(222.166669,0.053035);(224.940542,0.100787);(227.107821,0.499381);(228.053021,0.07766);(228.583336,0.071832);(229.02794,0.160539);(230.090005,0.103102);(231.034971,0.175574);(239.127562,0.104075);(239.98641,0.054143);(242.750003,0.054796);(243.15048,0.584142);(245.200156,0.107806);(247.276615,0.056241);(250.083336,0.085703);(251.132439,0.378229);(251.750003,0.081834);(252.077217,0.249097);(255.163794,0.061085);(256.250003,0.20091);(256.500003,0.151011);(257.000003,0.056446);(257.250003,0.105315);(258.347741,0.07259);(258.833337,0.066152);(259.130446,0.186399);(260.076981,0.087678);(261.136583,0.40359);(262.176483,0.141811);(263.209569,0.089937);(264.833337,0.090233);(265.083337,0.071896);(267.16667,0.054222);(268.920498,0.170311);(269.250004,0.148082);(269.750004,0.067055);(270.333337,0.067165);(271.15641,0.283053);(272.833337,0.057962);(274.321377,0.154292);(275.098728,0.145664);(277.083337,0.067784);(277.250004,0.076439);(278.443287,0.075387);(283.166671,0.529077);(283.262971,0.653382);(284.258967,0.296374);(284.750004,0.077079);(285.169326,0.212276);(286.150349,6.850976);(287.150977,3.54306);(288.190834,0.876426);(288.916671,0.073275);(289.250004,0.206133);(291.210215,0.291809);(292.441015,0.097025);(294.333338,0.055522);(294.750004,0.063761);(296.030549,0.095667);(297.333338,0.051198);(297.916671,0.133333);(298.250005,0.170268);(298.962075,0.075109);(299.250005,0.125458);(300.750005,0.055018);(300.916671,0.101436);(301.166671,0.087628);(301.500005,0.077662);(302.122961,0.059504);(302.416671,0.092421);(303.188662,0.11549);(304.109349,0.066069);(305.175427,0.442812);(305.666671,0.179089);(306.250005,0.417209);(307.278365,0.109489);(308.184722,0.126944);(310.282625,0.067902);(311.301122,4.134928);(312.32456,0.915989);(313.249053,0.224648);(313.885468,0.113822);(314.083338,0.065881);(314.416672,0.139577);(315.225385,0.261924);(316.121102,0.179869);(316.416672,0.210159);(317.000005,0.301207);(317.250005,0.496159);(317.833338,0.081521);(318.17794,0.142745);(318.416672,0.083794);(319.26313,0.150089);(320.083339,0.053584);(321.083339,0.100664);(321.333339,0.137743);(321.583339,0.059571);(322.416672,0.082777);(323.166672,0.054531);(324.416672,0.123962);(325.166672,0.090119);(325.416672,0.101182);(325.77377,0.081506);(326.250005,0.056247);(327.170541,0.12987);(327.416672,0.087615);(328.333339,0.057743);(329.209918,0.069442);(330.083339,0.161206);(330.333339,0.225412);(331.103981,0.194167);(331.416672,0.092167);(331.666672,0.223094);(332.000006,0.085046);(332.416672,0.136638);(332.846309,0.076398);(333.283954,0.086877);(335.166672,0.110106);(335.750006,0.094256);(336.083339,0.076055);(336.083339,0.076055);(337.114925,0.136766);(337.583339,0.06569);(338.138856,0.15788);(339.171042,0.123059);(341.250006,0.147785);(343.250006,0.105344);(343.916673,0.054038);(346.166673,0.058034);(347.333339,0.364936);(348.250006,0.070664);(349.166673,0.134653);(349.287005,0.169176);(350.086456,0.252095);(350.500006,0.124084);(351.000006,0.067085);(351.250006,0.124048);(353.273178,0.085896);(354.179937,0.063787);(355.08334,0.062063);(356.845355,0.063595);(357.500006,0.062723);(357.750006,0.076593);(358.709156,0.090593);(359.000006,0.070308);(360.166673,0.160206);(361.000006,0.099503);(361.250006,0.138339);(361.500006,0.080732);(364.916673,0.090324);(365.015395,0.090324);(365.916673,0.055209);(367.33334,0.079344);(367.58334,0.112226);(367.58334,0.112226);(369.156025,0.222354);(369.83334,0.086398);(370.416673,0.07249);(370.750007,0.140414);(371.23372,0.838269);(371.666673,0.074795);(372.000007,0.371051);(372.416673,0.233593);(373.166673,0.127423);(374.100737,0.112078);(374.5936,0.126325);(375.33334,0.157729);(376.215864,0.24671);(377.000007,0.115954);(377.416674,0.156539);(379.166674,0.094653);(380.125508,0.15945);(381.124319,0.067901);(382.625185,0.061547);(382.916674,0.051509);(383.250007,0.064066);(384.121401,0.444881);(384.416674,0.176786);(385.296638,0.128479);(386.451014,0.101416);(387.250007,0.121498);(389.822446,0.083303);(390.750007,0.072729);(391.000007,0.319736);(391.333341,0.393408);(392.250279,0.092819);(393.083341,0.113042);(393.083341,0.113042);(393.500007,0.161481);(394.000007,0.065586);(394.250007,0.164647);(394.500007,0.071602);(395.28115,0.132558);(396.93588,0.120492);(397.333341,0.320821);(397.666674,0.615291);(398.166674,0.584875);(398.416674,0.173279);(398.954368,0.142942);(399.250008,0.083808);(399.833341,0.09191);(400.193917,0.184861);(400.583341,0.10765);(400.583341,0.10765);(401.227022,0.257629);(402.374596,0.43004);(403.166674,0.179426);(403.416674,0.285305);(403.666674,0.14959);(404.166674,0.070759);(406.416674,0.060743);(408.01499,0.063951);(408.957526,0.114783);(410.942641,0.087474);(411.286705,0.217152);(411.941897,0.076262);(412.250008,0.059441);(412.67264,0.10319);(412.916675,0.067702);(413.166675,0.168864);(413.699825,0.056244);(414.000008,0.060812);(414.250008,0.073572);(415.083341,0.172421);(415.400529,0.222977);(416.348292,0.104454);(418.527844,0.06747);(418.833341,0.054649);(419.166675,0.183855);(419.416675,0.108603);(419.666675,0.133577);(420.166675,0.308937);(420.583342,0.131505);(421.071574,0.287716);(421.583342,0.068281);(422.000008,0.105589);(422.194445,0.221833);(423.250008,0.111076);(423.604992,0.079003);(424.986291,0.072109);(426.141345,0.088745);(426.416675,0.132193);(426.583342,0.19787);(426.833342,0.132388);(427.739876,10.232944);(428.166675,4.541934);(428.750008,1.798672);(429.666675,0.090064);(430.536257,0.221978);(431.166675,0.053779);(431.416675,0.295659);(432.166675,0.10282);(433.166675,0.051974);(434.689532,0.10194);(435.160106,0.101166);(435.916675,0.068359);(436.166675,0.132145);(436.500009,0.077268);(436.833342,0.068327);(437.201748,0.226171);(437.416675,0.130824);(438.25699,0.517169);(438.833342,0.109044);(439.083342,0.085073);(439.333342,0.092217);(441.000009,0.130534);(441.333342,0.124467);(442.290119,0.094196);(443.027154,0.067017);(443.333342,0.094537);(444.083342,0.174131);(444.500009,0.098609);(445.209644,0.059084);(446.750009,0.059641);(447.083342,0.072971);(447.750009,0.232163);(447.916676,0.278176);(448.333342,0.431448);(449.004255,0.20399);(449.333342,0.088134);(450.19204,0.297125);(451.270851,0.500947);(452.166676,0.117783);(453.286571,0.145513);(453.916676,0.150458);(454.266895,0.522787);(454.666676,0.145302);(455.238555,0.47593);(456.139357,0.123656);(457.322715,0.558839);(458.225966,0.441904);(458.666676,0.392496);(459.166676,0.226712);(459.416676,0.236685);(459.750009,0.185543);(463.083343,0.056749);(463.333343,0.210697);(464.300559,0.370084);(465.169043,0.140551);(465.583343,0.068493);(466.686288,0.105827);(467.00001,0.116537);(467.416676,0.188716);(468.666676,0.093173);(469.251464,0.350735);(469.50001,0.139814);(470.364224,0.171195);(471.189113,0.192774);(472.19611,0.115838);(472.50001,0.054033);(473.25001,0.090597);(474.1383,0.06193);(474.416676,0.102525);(474.666676,0.106524);(474.833343,0.145483);(475.315006,0.212393);(476.083343,0.101676);(476.186371,0.101676);(476.800715,0.063609);(477.787179,0.093857);(478.916677,0.077736);(479.166677,0.0722);(479.416677,0.064405);(480.00001,0.231013);(480.333343,0.250067);(480.583343,0.303025);(481.196705,0.435594);(482.284896,0.523196);(482.75001,0.093756);(483.083343,0.120304);(483.404408,0.365471);(483.666677,0.170732);(484.083343,0.369692);(484.333343,0.28476);(484.666677,0.346783);(485.15093,1.500479);(485.583343,0.149269);(486.174905,1.105279);(487.146275,0.237348);(488.083344,0.207494);(488.615426,0.131988);(489.166677,0.098604);(489.75001,0.107817);(490.083344,0.06275);(490.416677,0.063996);(490.583344,0.067353);(491.166677,0.181178);(491.994643,5.721306);(493.083344,0.521803);(493.333344,0.323132);(493.75001,0.126839);(494.195935,0.109994);(494.50001,0.193445);(494.916677,0.083374);(495.166677,0.133809);(496.088089,0.166733);(496.50001,0.088386);(497.052157,0.107943);(497.416677,0.209996);(497.916677,0.198413);(498.166677,0.644634);(499.000011,0.302163);(499.250011,0.450642);(500.166677,0.148317);(500.714482,0.087989);(501.222905,0.716609);(502.083344,0.201547);(502.333344,0.237141);(502.583344,0.137571);(505.166677,0.069836);(507.170752,0.085869);(508.250011,0.230712);(508.333731,0.230712);(509.230444,0.590273);(510.255107,2.781584);(510.833344,0.667769);(511.275032,3.526269);(512.247885,0.455814);(512.833344,0.608413);(512.833344,0.608413);(513.441981,2.277869);(514.279098,0.24566);(514.583344,0.239456);(514.916678,0.123139);(515.416678,0.092016);(516.066827,0.158535);(516.844846,0.105731);(517.083344,0.057154);(517.583344,0.105123);(519.23696,0.53622);(519.666678,0.409204);(520.083345,0.165022);(520.333345,0.082756);(522.166678,0.095479);(524.120838,0.282474);(524.500011,0.173229);(524.750011,0.072354);(525.127781,0.513411);(525.416678,0.293523);(526.241886,1.8711);(527.284393,1.554605);(528.229666,0.379578);(529.000011,0.098855);(529.105744,0.098855);(529.583345,0.057583);(531.166678,0.357839);(531.583345,0.416719);(532.231014,0.152732);(533.416678,0.075683);(534.116628,0.189648);(534.333345,0.123247);(534.583345,0.084818);(535.19817,0.445753);(535.583345,0.159466);(536.083345,0.061545);(536.833345,0.069144);(537.097999,0.117193);(538.083345,0.365608);(538.333345,0.455523);(539.265633,4.284445);(540.241379,0.926795);(540.666678,0.976594);(541.166678,1.469052);(542.351955,0.213448);(543.383444,0.2199);(544.08669,0.108822);(544.416679,0.066313);(544.87414,0.111792);(545.166679,0.080606);(546.112675,0.102902);(546.500012,0.138657);(547.333345,0.159533);(548.250012,0.073851);(548.500012,0.113911);(549.083345,0.059141);(550.583345,0.094743);(551.223092,0.068282);(552.405485,1.086685);(553.262343,4.220534);(554.083346,0.147173);(554.500012,0.251142);(555.083346,0.105352);(555.153819,0.105352);(556.282028,0.112747);(556.583346,0.055075);(561.321002,0.066727);(561.916679,0.061905);(562.416679,0.096471);(563.166679,0.051841);(563.833346,0.07926);(570.311145,3.756658);(571.15109,0.069819)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(166.075069,0.100061);(170.916667,0.198061);(176.750001,0.080555);(177.000001,0.131513);(177.250001,0.064778);(191.000001,0.140513);(192.096131,0.123736);(197.188584,0.109566);(199.166189,0.095229);(200.10354,0.127309);(200.996117,1.748185);(201.750002,0.081092);(201.916668,0.165334);(202.002069,0.165334);(203.081082,0.112763);(209.083335,0.131834);(210.100216,0.0652);(213.083335,0.111696);(215.000002,0.589603);(215.250002,0.642828);(216.031588,0.104157);(216.977499,0.09848);(218.666669,0.098943);(221.020148,0.139408);(224.166669,0.076767);(226.083336,0.07046);(227.162443,0.414314);(229.054103,0.110975);(231.000003,0.111361);(231.250003,0.073794);(232.962016,0.095878);(237.034402,0.090145);(239.166669,0.084221);(240.833336,0.089906);(243.112605,0.426716);(244.000003,0.162577);(244.91667,0.076503);(245.250003,0.127591);(247.083336,0.075689);(251.060156,0.261388);(252.042079,0.274004);(253.067186,0.084284);(254.000003,0.070392);(259.083337,0.138008);(259.333337,0.185415);(260.41667,0.077526);(261.122336,0.310893);(262.250003,0.160755);(263.083337,0.077895);(264.750004,0.074625);(265.083337,0.156779);(267.083337,0.081865);(270.083337,0.134859);(270.250004,0.155008);(271.000004,0.064708);(271.250004,0.132338);(272.083337,0.067406);(272.302692,0.126193);(272.66667,0.077753);(273.081121,0.101933);(273.833337,0.082784);(274.250004,0.169953);(277.166671,0.103807);(280.108333,0.0667);(283.305606,1.072088);(284.106452,0.295561);(284.333337,0.205081);(285.114138,0.30104);(286.144837,6.532862);(287.166075,2.854982);(287.750004,0.077526);(288.16406,0.88443);(289.038404,0.200254);(289.333338,0.113461);(290.148022,0.094857);(291.250004,0.141487);(292.191521,0.106995);(294.037482,0.076042);(296.000005,0.071747);(296.916671,0.078375);(297.250005,0.17671);(298.083338,0.195269);(298.19485,0.195269);(299.166671,0.070613);(301.000005,0.157272);(303.000005,0.151488);(303.250005,0.142241);(303.955688,0.081337);(305.08353,0.401848);(305.333338,0.163668);(305.666671,0.265126);(306.20567,0.306107);(311.317811,3.577112);(312.305672,0.586517);(313.341319,0.158519);(314.111594,0.081999);(314.978765,0.101182);(316.285192,0.150306);(316.750005,0.083643);(317.180601,0.478442);(318.275188,0.306754);(319.072532,0.195041);(321.358948,0.124179);(325.13603,0.100829);(329.218866,0.16368);(330.099811,0.173853);(331.269611,0.082021);(332.11586,0.244321);(333.149767,0.115214);(334.9983,0.178456);(336.000006,0.183707);(336.076683,0.183707);(336.416672,0.163358);(336.957002,0.20805);(337.166672,0.100904);(337.583339,0.0903);(337.833339,0.088064);(338.166672,0.178571);(338.25781,0.206944);(339.083339,0.070114);(339.416672,0.071862);(339.864129,0.098459);(341.333339,0.071238);(342.131044,0.172555);(343.083339,0.081467);(343.333339,0.089205);(345.21141,0.065476);(347.086991,0.350859);(347.416673,0.141778);(348.367302,0.101644);(348.833339,0.066875);(349.211798,0.290113);(350.286231,0.076422);(351.083339,0.07631);(352.378873,0.11729);(353.08334,0.065722);(353.416673,0.098887);(355.000006,0.067608);(355.082835,0.089372);(355.916673,0.069325);(356.250006,0.126139);(357.295721,0.100133);(358.916673,0.087444);(359.166673,0.154761);(360.21008,0.097977);(361.154014,0.094112);(362.069098,0.144815);(362.553753,0.101737);(363.060344,0.154752);(363.690319,0.066244);(367.416673,0.234337);(367.666673,0.252651);(368.232763,0.165849);(369.08334,0.165247);(370.08334,0.070844);(370.291896,0.227636);(371.179647,0.98882);(372.158957,0.858593);(373.101799,0.211159);(374.250007,0.085258);(374.500007,0.092637);(375.416674,0.121597);(375.750007,0.074333);(376.199386,0.303271);(377.08334,0.103392);(377.352831,0.200677);(381.08334,0.133634);(381.33334,0.09177);(383.166674,0.087523);(384.061894,0.455876);(384.500007,0.134003);(385.124129,0.122729);(386.229522,0.116168);(387.18449,0.111647);(389.416674,0.086461);(390.247249,0.126871);(391.192134,0.283438);(392.62478,0.081726);(393.250007,0.091771);(394.159029,0.203776);(395.000007,0.081694);(395.250007,0.107075);(396.172511,0.080942);(397.645354,1.058506);(398.166674,0.619892);(398.666674,0.204102);(398.833341,0.361845);(399.083341,0.427927);(400.098058,0.833338);(401.11427,0.486512);(402.238464,0.31456);(402.750008,0.112386);(403.263589,0.173204);(405.256258,0.121931);(408.500008,0.097855);(409.083341,0.090802);(409.333341,0.127501);(410.083341,0.08072);(410.333341,0.068479);(411.250008,0.164784);(412.141621,0.189008);(413.271954,0.104668);(415.333341,0.071715);(416.192964,0.097313);(419.339662,0.18992);(419.916675,0.12197);(420.235358,0.417345);(421.173377,0.365316);(421.750008,0.117633);(422.225687,0.575519);(423.067481,0.144608);(423.333342,0.08883);(424.666675,0.074226);(425.333342,0.168186);(426.156584,0.095496);(426.604728,0.178491);(427.740317,12.864022);(428.250008,5.724505);(428.750008,1.783715);(430.083342,0.114131);(430.083342,0.114131);(430.416675,0.151913);(431.000009,0.093737);(431.250009,0.074834);(431.666675,0.125118);(434.019521,0.078193);(435.250009,0.08241);(435.500009,0.093002);(436.166675,0.068087);(437.166675,0.299075);(437.416675,0.111706);(437.666675,0.099636);(438.210288,0.458147);(439.033044,0.099221);(439.416675,0.159474);(440.000009,0.109531);(440.333342,0.156746);(440.750009,0.090243);(441.143633,0.451073);(442.333342,0.211443);(443.203351,0.195907);(443.583342,0.11018);(443.833342,0.075993);(444.295014,0.146804);(444.750009,0.076882);(445.159547,0.136187);(446.333342,0.079704);(447.046606,0.157834);(447.665493,0.254852);(448.254379,0.57254);(448.750009,0.070233);(449.220867,0.207399);(449.666676,0.075722);(450.263771,0.469584);(450.833342,0.169734);(451.166676,0.376825);(451.916676,0.075434);(452.345618,0.216145);(453.083343,0.199164);(453.333343,0.198942);(453.833343,0.086346);(454.214666,0.504186);(455.427195,0.384244);(456.152835,0.596807);(456.666676,0.106862);(457.227512,2.197308);(458.238546,0.453833);(459.083343,0.166376);(459.416676,0.239091);(463.250009,0.1312);(464.416676,0.253257);(465.216754,0.09123);(467.3105,0.18116);(468.203188,0.210226);(469.00001,0.090373);(469.416676,0.217217);(470.75001,0.103475);(471.00001,0.523559);(471.25001,0.211482);(474.235161,0.113304);(474.71901,0.250785);(475.25001,0.117877);(475.833343,0.077001);(476.333343,0.074257);(476.75001,0.078849);(479.083343,0.099147);(479.416677,0.160739);(480.083343,0.161858);(480.333343,0.161949);(480.583343,0.211655);(481.117977,0.380548);(481.583343,0.106945);(482.166677,0.572384);(482.416677,0.417944);(482.666677,0.208508);(482.916677,0.166519);(483.25001,0.414522);(483.75001,0.431506);(484.153853,1.644907);(485.152257,5.754173);(486.180754,1.392472);(487.083344,0.104749);(487.416677,0.116465);(487.982968,0.166421);(489.083344,0.116271);(489.333344,0.168593);(491.166677,0.112302);(491.965626,3.832618);(492.75001,0.360522);(493.166677,0.511577);(494.366972,0.099768);(495.272221,0.104297);(496.164128,0.176039);(496.856446,0.110805);(497.343492,0.15816);(498.174319,0.388684);(499.166677,0.505601);(499.202653,0.505601);(500.083344,0.083176);(500.363325,0.108303);(500.833344,0.066336);(501.000011,0.079186);(501.333344,0.09096);(504.666677,0.224246);(505.083344,0.115136);(505.614615,0.085438);(507.115589,0.152798);(507.333344,0.085416);(508.243241,0.462952);(508.666678,0.07624);(509.083344,0.391963);(509.333344,0.351274);(509.666678,0.160312);(510.254405,3.383088);(511.252236,3.87633);(512.23254,0.646256);(512.666678,0.309288);(513.445069,1.486964);(514.166678,0.155639);(514.416678,0.124493);(515.207895,0.279796);(516.750011,0.064803);(518.083344,0.07615);(519.135585,0.211348);(519.583344,0.141579);(519.833345,0.12574);(519.833345,0.12574);(524.273996,0.487183);(524.666678,0.134932);(525.000011,0.266653);(525.250011,0.565697);(525.583345,0.120813);(526.27856,2.513817);(527.166678,0.867413);(527.416678,0.971144);(528.313038,0.17201);(528.666678,0.108418);(529.250011,0.103454);(529.283553,0.103454);(531.000012,0.299737);(531.150302,0.411221);(531.833345,0.410414);(532.083345,0.393239);(532.416678,0.102786);(532.666678,0.151196);(533.333345,0.072636);(533.666678,0.070993);(534.333345,0.144957);(534.583345,0.139309);(534.833345,0.150343);(535.337589,0.653786);(536.166678,0.098617);(537.399552,0.147858);(538.000012,0.25334);(538.333345,0.540681);(539.261449,3.490556);(540.300073,1.571522);(540.750012,1.371058);(541.083345,0.861644);(541.250012,1.068068);(542.407143,0.132018);(543.211157,0.130209);(544.083345,0.067501);(544.416679,0.089898);(546.416679,0.113399);(547.250012,0.088625);(548.333345,0.068363);(549.196337,0.092075);(550.10674,0.188269);(550.934094,0.200073);(552.399133,0.896205);(553.31019,3.599863);(554.000012,0.139211);(554.583346,0.065765);(561.250012,0.078741);(562.416679,0.078131);(570.341181,4.92587);(571.517561,0.114483)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(307.333338,2.304217);(308.146228,100.0);(310.18146,0.668097);(421.277064,0.534012);(448.250009,1.283986);(448.750009,4.499403);(449.250009,9.63091);(449.728804,36.345466);(450.250009,22.275432);(450.750009,4.373337);(477.306791,0.541073);(481.261401,1.051098);(507.281532,0.516571);(532.382864,1.054536);(533.338007,4.24395);(562.274703,0.949204);(562.750012,0.593898);(563.250012,0.980018);(575.219544,1.863393)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(307.333338,1.882002);(308.143464,100.0);(448.250009,1.065683);(448.750009,3.554171);(449.250009,7.989373);(449.735583,29.270771);(450.250009,18.154295);(450.750009,4.500384);(481.281115,0.639427);(532.333345,0.666416);(533.332792,2.835723);(562.250012,0.73535);(562.750012,0.537855);(563.221447,0.962896);(575.225096,0.627245)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(173.166668,0.070234);(184.750001,0.071856);(185.083335,0.118189);(190.833335,0.103797);(191.016714,0.212173);(192.024316,0.14536);(200.967159,1.250133);(208.916669,0.082672);(213.078615,0.07858);(215.11701,0.324804);(217.027359,0.0878);(226.000002,0.090661);(226.000002,0.090661);(227.416669,0.079825);(231.000003,0.142391);(231.250003,0.122056);(233.000003,0.087948);(243.16667,0.078665);(244.120733,0.164446);(245.205658,0.155397);(249.031774,0.076897);(251.05795,0.138724);(252.125711,0.116598);(257.250003,0.086468);(259.16667,0.165328);(260.083337,0.130216);(261.125186,0.15847);(262.052292,0.14467);(270.041597,0.075101);(277.013489,0.10296);(278.083337,0.113006);(280.000004,0.073621);(283.083337,0.271946);(283.416671,0.213552);(284.083337,0.12128);(284.376923,0.193247);(285.250004,0.249196);(286.129349,6.722969);(287.155603,2.080318);(288.126602,0.615379);(290.160372,0.109417);(291.164986,0.072433);(297.353314,0.078615);(298.096102,0.144996);(304.142334,0.136512);(305.169585,0.272015);(305.583338,0.126546);(306.069196,0.130777);(307.195029,0.096526);(308.28766,0.101535);(309.000005,0.073642);(309.166672,0.085052);(309.416672,0.10021);(311.313367,1.912754);(312.083338,0.416171);(312.333338,0.391388);(313.083338,0.077973);(315.136875,0.082583);(316.115769,0.090408);(317.083338,0.330215);(317.333338,0.319888);(321.21188,0.105306);(324.333339,0.07134);(325.083339,0.085205);(325.250005,0.084719);(328.129002,0.087839);(330.191546,0.086836);(331.092381,0.25061);(332.148276,0.142088);(333.954209,0.106923);(334.939501,0.089253);(336.250006,0.16859);(337.205787,0.288505);(337.750006,0.154474);(338.166672,0.268402);(339.186594,0.09789);(339.952228,0.099251);(340.333339,0.09318);(341.916673,0.128957);(344.166673,0.110479);(346.333339,0.118397);(348.221678,0.093841);(349.138355,0.11588);(350.083339,0.160435);(351.177596,0.125518);(357.08334,0.073936);(359.147221,0.174251);(360.212849,0.129913);(360.876285,0.077644);(361.166673,0.114981);(361.624909,0.116589);(364.681839,0.113166);(365.08334,0.162885);(367.250007,0.084002);(367.65866,0.359273);(368.160658,0.164445);(369.041254,0.219995);(371.14032,0.263389);(372.11178,0.506348);(372.916673,0.097444);(373.192316,0.236326);(374.168995,0.166299);(374.58334,0.070189);(375.144834,0.259856);(375.859006,0.114619);(376.259842,0.187845);(377.166674,0.126095);(378.293157,0.078848);(379.342362,0.084626);(384.04535,0.452933);(384.33334,0.21794);(384.750007,0.101142);(385.08334,0.196189);(385.956932,0.125619);(390.380642,0.10371);(391.166674,0.231877);(391.500007,0.235506);(393.248381,0.405475);(394.270424,0.308141);(395.083341,0.102099);(396.333341,0.101874);(397.131552,0.137267);(397.677635,1.81661);(398.166674,0.83164);(398.833341,0.328053);(399.166674,0.425017);(400.146752,0.771225);(401.000008,0.281364);(401.250008,0.302988);(402.365801,0.222265);(402.666674,0.141069);(403.500008,0.07091);(409.166675,0.094692);(409.416675,0.070885);(411.140495,0.155809);(411.74707,0.13741);(412.166675,0.092965);(412.500008,0.078937);(413.166675,0.074315);(414.293219,0.112971);(415.083341,0.0775);(415.416675,0.093506);(419.000008,0.239703);(419.068586,0.239703);(420.267767,0.529301);(421.178195,0.641697);(422.207617,0.82886);(423.022299,0.089598);(425.25273,0.195441);(425.666675,0.0714);(426.416675,0.087335);(426.750008,0.139329);(427.72937,13.997992);(428.166675,7.065633);(429.083342,0.514978);(430.583342,0.105542);(431.000009,0.073921);(431.250009,0.078668);(434.666675,0.07877);(436.21664,0.120835);(436.500009,0.148312);(437.083342,0.104637);(437.333342,0.292823);(437.916675,0.170212);(438.250009,0.518334);(439.166675,0.161306);(439.224114,0.184608);(440.583342,0.0805);(441.21125,0.389187);(441.865794,0.096449);(442.250009,0.087836);(443.387194,0.180565);(444.333342,0.108368);(444.916676,0.111671);(445.461285,0.078642);(447.104601,0.134559);(447.416676,0.172903);(447.416676,0.172903);(447.750009,0.156213);(448.083342,0.194634);(448.333342,0.540626);(448.666676,0.147883);(449.250009,0.159337);(450.248527,0.588322);(450.833342,0.151392);(451.158388,0.39626);(452.333342,0.122527);(452.687214,0.084027);(453.17598,0.265484);(453.916676,0.233352);(454.250009,0.59727);(454.583343,0.15451);(454.833343,0.192283);(455.166676,0.403068);(456.154636,0.518877);(457.198633,2.468006);(458.083343,0.372814);(458.333343,0.497757);(459.000009,0.142613);(459.250009,0.226074);(463.250009,0.131969);(463.500009,0.095834);(464.324346,0.300481);(465.083343,0.147167);(465.333343,0.244379);(466.274789,0.120933);(468.083343,0.140037);(468.50001,0.091716);(469.083343,0.152796);(469.333343,0.130846);(470.166676,0.083719);(471.166676,0.122881);(471.416676,0.143547);(473.166676,0.072195);(473.53124,0.091869);(476.166677,0.081922);(478.205286,0.101962);(479.333343,0.097077);(480.25001,0.183338);(480.583343,0.220948);(481.215647,0.324714);(482.25419,0.709961);(482.916677,0.076973);(483.434145,0.299486);(484.09236,1.734928);(485.163793,4.817579);(486.207656,1.11024);(487.25001,0.079746);(487.75001,0.070504);(488.166677,0.254137);(489.25001,0.093482);(489.50001,0.092547);(490.166677,0.131207);(490.416677,0.171026);(491.416677,0.167259);(492.104748,0.948872);(493.063578,0.612981);(493.916677,0.155744);(494.333344,0.151238);(495.166677,0.071497);(496.177604,0.217224);(497.25001,0.221678);(497.500011,0.268846);(498.267061,0.373452);(499.000011,0.272464);(499.333344,0.213171);(500.166677,0.090579);(501.050799,0.142722);(505.666677,0.100745);(507.833344,0.079299);(508.329687,0.418733);(509.243108,0.415234);(510.256564,2.818619);(511.282752,2.298395);(512.083344,0.493755);(512.691679,0.501659);(513.453026,1.353823);(514.306754,0.122555);(514.666678,0.076592);(515.3594,0.161194);(515.787634,0.106338);(517.15952,0.090188);(519.166678,0.134502);(519.416678,0.17235);(519.833345,0.112663);(520.166678,0.170667);(523.658907,0.105961);(524.15014,0.850678);(525.245619,0.544392);(526.280826,2.317701);(527.316846,0.909372);(528.416678,0.123554);(528.916678,0.120536);(529.250011,0.17655);(531.333345,0.242115);(531.666678,0.240894);(531.666678,0.240894);(532.750012,0.077069);(532.916678,0.079343);(533.872025,0.105774);(534.083345,0.133252);(534.583345,0.097125);(535.083345,0.188565);(535.333345,0.283174);(538.242419,0.711662);(539.275692,2.338081);(539.833345,0.342539);(540.259846,1.851889);(540.666678,0.925325);(541.208352,1.105063);(541.750012,0.071907);(542.000012,0.106006);(542.583345,0.161432);(543.083345,0.11333);(543.333345,0.140827);(548.192979,0.074676);(549.333345,0.113243);(551.68401,0.113244);(552.286532,1.051124);(553.000012,0.530432);(553.333346,0.691636);(553.833346,0.112835);(554.166679,0.111578);(554.833346,0.074891);(561.250012,0.128891);(561.500012,0.164316);(562.250012,0.100023);(562.432528,0.106669);(570.356174,6.147308)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(95.021217,0.133851);(95.300797,0.066925);(95.549652,0.129389);(95.65863,0.133851);(95.943039,0.142774);(96.034691,0.05354);(96.52095,0.107081);(96.695053,0.111542);(97.026085,0.107081);(97.16925,0.142774);(97.402855,0.080311);(97.611176,0.040155);(97.841377,0.080311);(97.957558,0.102619);(98.008781,0.089234);(98.129005,0.093696);(98.602753,0.129389);(99.256012,0.058002);(99.456375,0.066925);(100.126396,0.142774);(100.158257,0.124927);(100.44529,0.151698);(100.477203,0.138313);(100.491173,0.142774);(100.541054,0.102619);(100.563011,0.147236);(100.614906,0.142774);(100.816643,0.138313);(101.016579,0.142774);(101.138634,0.120466);(101.382973,0.089234);(101.547363,0.107081);(101.677773,0.102619);(101.707878,0.05354);(101.780151,0.075849);(102.133842,0.129389);(102.345146,0.124927);(102.488152,0.147236);(102.76786,0.147236);(102.929886,0.071387);(103.05555,1.490207);(103.172333,0.133851);(103.206703,0.089234);(103.259277,0.133851);(103.323837,0.05354);(103.358398,0.133851);(103.870956,0.129389);(103.9095,0.147236);(104.26281,0.05354);(104.437653,0.129389);(104.551582,0.124927);(104.573975,0.035694);(104.687973,0.142774);(105.033936,2.387008);(105.195648,0.147236);(105.387619,0.062464);(105.53273,0.107081);(105.549088,0.071387);(106.851486,0.071387);(107.034668,0.138313);(108.24054,0.084772);(108.358597,0.111542);(108.3731,0.133851);(108.563805,0.062464);(108.873009,0.147236);(109.012192,0.151698);(109.59272,0.151698);(109.709435,0.116004);(109.790749,0.071387);(110.310631,0.093696);(110.341988,0.102619);(110.578354,0.071387);(111.087509,0.102619);(111.316277,0.142774);(111.333076,0.058002);(111.431801,0.080311);(111.486427,0.124927);(111.911331,0.142774);(111.951332,0.089234);(112.136726,0.058002);(112.214722,0.124927);(112.598763,0.120466);(112.693817,0.062464);(113.345497,0.044617);(113.387878,0.151698);(113.538399,0.05354);(114.027321,0.133851);(114.240845,0.080311);(114.392525,0.129389);(114.490463,0.049079);(114.786667,0.093696);(114.973114,0.151698);(115.055725,100.0);(115.148872,0.124927);(115.189445,0.129389);(115.207123,0.049079);(115.229134,0.102619);(115.270195,0.138313);(115.358841,0.102619);(115.386635,0.138313);(115.432106,0.066925);(115.476364,0.116004);(115.605377,0.066925);(115.630363,0.080311);(115.667557,0.075849);(115.686134,0.093696);(115.718246,0.049079);(115.767494,0.031232);(115.827461,0.102619);(115.872757,0.062464);(115.92173,0.062464);(115.964592,0.093696);(116.057869,12.568599);(116.12204,0.071387);(116.245522,0.147236);(116.318497,0.116004);(116.423698,0.084772);(116.494576,0.129389);(116.519669,0.098157);(116.548286,0.066925);(116.611298,0.138313);(116.650688,0.089234);(116.710732,0.129389);(116.769699,0.05354);(116.793358,0.058002);(116.87664,0.124927);(116.918251,0.147236);(116.93708,0.084772);(117.012848,0.102619);(117.031395,1.012805);(117.070007,3.038415);(117.153908,0.098157);(117.262718,0.058002);(117.45446,0.124927);(117.517174,0.058002);(117.60997,0.089234);(117.653137,0.071387);(117.756783,0.080311);(117.887672,0.151698);(118.165329,0.080311);(118.234573,0.151698);(118.483574,0.142774);(118.665619,0.129389);(118.680801,0.116004);(118.991051,0.120466);(119.049873,0.151698);(119.121353,0.138313);(119.349541,0.084772);(119.771729,0.147236);(119.86541,0.05354);(120.395493,0.035694);(120.889534,0.071387);(121.128174,0.066925);(121.228142,0.098157);(121.704948,0.093696);(121.762039,0.049079);(121.942192,0.044617);(122.096161,1.695445);(122.296295,0.05354);(122.342522,0.138313);(122.412971,0.120466);(122.580383,0.151698);(122.784393,0.084772);(122.964096,0.138313);(123.047981,0.133851);(123.134094,0.040155);(123.189316,0.031232);(123.209198,0.142774);(123.425789,0.147236);(123.487709,0.142774);(123.567345,0.124927);(123.766541,0.031232);(123.813042,0.044617);(123.901642,0.133851);(123.917145,0.080311);(123.970322,0.133851);(124.070068,0.120466);(124.811607,0.116004);(125.067444,0.133851);(125.325768,0.102619);(125.6959,0.124927);(125.839729,0.062464);(126.117981,0.120466);(126.237213,0.093696);(126.760269,0.093696);(126.80957,0.147236);(127.053894,2.239772);(127.098854,0.071387);(127.442383,0.124927);(127.860634,0.049079);(127.995697,0.124927);(128.024979,0.151698);(128.757904,0.147236);(129.099136,0.093696);(129.40686,0.05354);(129.608444,0.147236);(129.832855,0.111542);(130.207306,0.120466);(130.250473,0.120466);(130.555023,0.098157);(131.358994,0.124927);(131.936752,0.089234);(132.330246,0.116004);(132.589081,0.147236);(132.6418,0.142774);(132.660431,0.147236);(132.912415,0.111542);(133.151154,0.133851);(134.046021,0.080311);(134.09668,1.23589);(134.154343,0.120466);(134.379669,0.075849);(134.601929,0.107081);(134.64119,0.102619);(134.705856,0.075849);(134.761292,0.147236);(134.872223,0.151698);(134.974594,0.151698);(135.044922,46.597957);(135.158981,0.124927);(135.191788,0.075849);(135.25325,0.066925);(135.304581,0.102619);(135.319839,0.107081);(135.402039,0.049079);(135.431,0.071387);(135.455322,0.062464);(135.54335,0.080311);(135.582748,0.05354);(135.615189,0.0669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;(1352.96106,0.05354);(1353.64209,0.058002);(1354.801025,0.089234);(1355.517212,0.049079);(1356.807251,0.142774);(1357.628418,0.133851);(1360.827637,0.107081);(1362.487427,0.120466);(1363.920288,0.066925);(1365.081909,0.062464);(1365.258423,0.142774);(1366.891479,0.102619);(1367.88501,0.075849);(1368.407715,0.107081);(1369.799561,0.142774);(1371.781738,0.058002);(1375.056519,0.089234);(1376.798828,0.129389);(1377.847656,0.142774);(1377.995483,0.044617);(1380.626831,0.066925);(1380.793091,0.142774);(1381.447876,0.062464);(1382.861084,0.111542);(1385.815674,0.098157);(1390.895508,0.066925);(1392.892944,0.093696);(1395.1073,0.044617);(1397.53186,0.075849);(1398.164307,0.142774);(1398.566284,0.138313);(1399.541382,0.151698);(1400.360596,0.138313);(1403.013306,0.133851);(1404.253418,0.124927);(1404.623901,0.133851);(1404.743286,0.093696);(1405.63855,0.089234);(1407.534546,0.147236);(1410.859253,0.089234);(1414.936401,0.044617);(1418.359863,0.062464);(1419.881836,0.133851);(1423.055908,0.147236);(1423.393799,0.062464);(1424.347534,0.093696);(1426.428955,0.080311);(1427.834961,0.066925);(1428.286255,0.124927);(1429.783447,0.124927);(1430.107056,0.151698);(1432.328247,0.066925);(1432.757568,0.151698);(1434.023438,0.138313);(1434.792358,0.066925);(1435.237183,0.142774);(1436.406128,0.138313);(1438.783203,0.044617);(1442.522461,0.080311);(1443.422119,0.120466);(1444.110352,0.124927);(1446.266602,0.049079);(1446.56189,0.151698);(1447.303833,0.102619);(1452.388794,0.111542);(1452.654297,0.147236);(1454.353882,0.120466);(1457.140869,0.089234);(1467.826904,0.147236);(1468.261597,0.133851);(1470.161133,0.040155);(1470.703003,0.151698);(1472.161255,0.05354);(1473.177002,0.071387);(1473.833984,0.089234);(1477.029541,0.133851);(1479.378784,0.071387);(1479.792114,0.120466);(1479.853394,0.111542);(1480.488892,0.142774);(1484.496704,0.138313);(1486.214966,0.035694);(1486.644653,0.147236);(1487.120483,0.116004);(1490.614624,0.133851);(1492.344116,0.147236);(1494.505371,0.142774);(1498.516846,0.151698);(1498.932739,0.156159);(1499.341187,0.05354);(1500.45105,0.147236)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.0401,6.34);(69.0709,8.87);(77.0392,5.32);(79.0551,3.01);(89.0393,1.8);(103.0547,3.35);(105.0337,1.61);(115.0546,100.0);(117.0693,2.7);(127.0545,1.95);(135.044,23.89);(143.0492,30.58);(151.0988,1.38);(159.0439,5.33);(171.0439,12.15);(173.0597,2.88);(201.0545,9.56)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0698,23.59);(79.0542,2.27);(84.0808,6.1);(86.0964,4.79);(95.0491,1.03);(103.0542,2.63);(112.0757,6.68);(115.0542,100.0);(117.0698,4.72);(131.0491,1.11);(134.0964,1.09);(135.044,68.38);(143.0491,73.85);(145.0647,2.45);(150.0914,1.28);(151.0991,5.49);(159.044,14.72);(161.0595,1.8);(171.044,45.48);(173.0596,14.3);(201.0545,75.64)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0698,1.7);(84.0808,3.45);(86.0964,2.98);(112.0756,7.36);(135.044,15.59);(151.0991,1.38);(171.044,1.71);(173.0597,2.73);(201.0545,100.0);(286.1436,58.48)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(201.0545,13.91);(286.1435,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0698,3.54);(77.0385,1.78);(79.0542,3.24);(84.0808,1.01);(89.0385,1.8);(91.0542,1.07);(95.0491,3.54);(103.0542,3.72);(105.0335,2.18);(115.0542,100.0);(117.0698,1.14);(135.044,11.58);(143.0491,13.9);(159.044,1.92);(171.044,2.73)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0698,8.58);(79.0542,3.23);(84.0808,2.05);(86.0964,1.66);(95.0491,2.06);(103.0542,3.51);(105.0335,1.57);(112.0758,1.06);(115.0542,100.0);(117.0698,2.52);(135.044,26.1);(143.0492,34.88);(145.0647,1.23);(151.0992,1.34);(159.0441,5.56);(171.0441,13.02);(173.0597,2.79);(201.0546,7.84)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0709,5.64);(84.0818,3.21);(86.0972,2.68);(112.0762,6.82);(115.0547,9.56);(135.0441,23.19);(143.0491,9.11);(151.099,2.45);(159.0445,2.39);(171.0438,8.94);(173.0595,5.27);(201.0545,100.0);(286.1436,19.39)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03581,1.7);(77.04096,1.8);(79.05658,1.7);(89.04102,3.2);(91.05405,1.4);(103.05536,2.8);(105.03452,2.3);(115.05453,100.0);(116.05732,10.3);(135.04379,7.1);(136.05125,1.4);(143.04947,6.8);(171.04306,1.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0707,1.1);(84.08159,1.2);(112.07509,3.3);(115.0549,15.8);(116.05753,2.1);(135.04411,15.2);(136.04787,1.2);(143.04985,12.8);(144.05264,1.9);(151.10098,1.5);(159.04419,2.4);(171.04424,9.1);(173.05908,4.3);(201.05542,68.4);(202.05833,9.5);(203.06223,1.5);(286.14481,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(84.0816,1.08);(112.0761,1.84);(115.0546,2.05);(135.0443,4.35);(143.049,1.23);(171.0439,1.16);(201.0546,36.49);(286.1438,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0698,8.48);(84.0808,3.63);(86.0964,3.66);(112.0757,8.43);(115.0542,10.33);(135.044,32.63);(143.0491,14.96);(151.0992,3.31);(159.0441,3.8);(171.044,14.98);(173.0597,8.03);(201.0545,100.0);(286.1436,3.66)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(201.05438,7.61);(202.05725,1.0);(286.14389,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0707,1.1);(84.08159,1.2);(86.09726,1.0);(112.07509,3.3);(115.0549,15.82);(116.05753,2.1);(135.04411,15.22);(136.04787,1.2);(143.04985,12.81);(144.05264,1.9);(151.10098,1.5);(159.04419,2.4);(171.04424,9.11);(173.05908,4.3);(201.05542,68.37);(202.05833,9.51);(203.06223,1.5);(286.14481,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.07006,4.5);(84.08211,1.3);(86.09676,2.5);(103.05603,2.0);(112.07731,5.21);(115.05502,84.98);(116.05949,9.51);(117.07066,4.3);(127.05522,2.6);(135.04445,55.56);(136.04738,5.31);(143.04951,70.57);(144.05255,9.21);(145.06664,1.8);(150.09457,1.2);(151.10172,5.11);(159.04446,16.42);(160.04829,1.6);(171.04451,49.05);(172.04816,6.41);(173.05986,18.02);(174.06314,2.7);(201.05551,100.0);(202.05785,15.72);(203.06088,1.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.07131,5.41);(84.08286,1.3);(86.09505,1.4);(103.0554,1.9);(112.0743,6.71);(115.05465,86.09);(116.05859,7.11);(117.07204,3.6);(127.05481,3.6);(131.05122,1.0);(134.09615,1.4);(135.04388,53.55);(136.04794,6.01);(143.04953,72.47);(144.05322,10.31);(151.09894,4.6);(159.04132,9.61);(160.04967,2.2);(171.04463,51.85);(172.04849,8.31);(173.06023,16.12);(174.06581,1.9);(201.05508,100.0);(202.05978,12.81);(203.06058,1.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0538,7.6);(135.0431,27.5);(136.0463,1.81);(143.048,16.25);(144.0513,1.57);(151.0979,2.52);(159.0428,4.07);(171.0431,18.61);(172.0462,1.99);(173.0585,6.96);(201.0539,100.0);(202.0572,10.37);(286.1435,2.77)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03368,1.4);(77.04049,4.4);(79.05379,1.4);(89.04015,4.2);(103.05481,2.8);(105.03742,1.4);(115.05502,100.0);(116.055,6.5);(135.04108,4.4);(143.04741,6.3);(144.04942,1.5);(171.04028,1.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(112.07574,2.8);(115.05486,14.3);(116.05928,1.1);(135.04405,14.2);(136.04895,1.3);(143.04973,11.5);(144.05574,1.3);(151.10146,1.2);(159.04509,3.6);(171.04425,9.9);(173.06369,2.3);(201.05489,64.7);(202.05833,9.4);(286.14478,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(135.0431,11.52);(143.0479,1.91);(151.0978,1.16);(171.0429,2.91);(173.0585,2.58);(201.054,100.0);(202.0572,10.72);(286.1437,62.09);(287.1467,11.02)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0539,100.0);(116.0569,9.85);(117.0692,1.85);(122.0956,1.55);(127.0531,1.43);(131.0481,1.08);(135.0432,82.28);(136.0462,5.6);(143.0482,98.15);(144.0514,9.5);(145.0634,3.05);(150.0898,2.19);(151.0979,6.08);(155.0588,1.78);(159.043,21.38);(160.0464,2.76);(161.058,1.06);(171.0431,71.27);(172.0465,7.75);(173.0586,17.42);(174.0618,2.34);(201.0539,93.33);(202.0571,10.71)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.07006,4.5);(84.08211,1.3);(86.09676,2.5);(103.05603,2.0);(112.07731,5.2);(115.05502,85.0);(116.05949,9.5);(117.07066,4.3);(127.05522,2.6);(135.04445,55.6);(136.04738,5.3);(143.04951,70.6);(144.05255,9.2);(145.06664,1.8);(150.09457,1.2);(151.10172,5.1);(159.04446,16.4);(160.04829,1.6);(171.04451,49.0);(172.04816,6.4);(173.05986,18.0);(174.06314,2.7);(201.05551,100.0);(202.05785,15.7);(203.06088,1.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(201.05547,8.0);(202.05882,1.1);(286.1452,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0538,100.0);(116.0571,8.72);(122.0955,1.32);(127.0529,1.15);(135.0431,30.34);(136.0464,2.69);(143.0482,38.8);(144.0514,4.82);(145.063,1.49);(150.09,1.32);(151.0975,1.87);(155.0588,1.35);(159.0424,7.22);(171.0428,16.02);(172.0466,2.55);(173.0578,3.45);(201.0532,8.31);(202.0564,1.43)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(201.0534,6.88);(286.1441,100.0);(287.1466,28.11);(288.1488,2.19)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(201.05438,7.6);(286.14389,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.07131,5.4);(84.08286,1.3);(86.09505,1.4);(103.0554,1.9);(112.0743,6.7);(115.05465,86.1);(116.05859,7.1);(117.07204,3.6);(127.05481,3.6);(134.09615,1.4);(135.04388,53.6);(136.04794,6.0);(143.04953,72.5);(144.05322,10.3);(151.09894,4.6);(159.04132,9.6);(160.04967,2.2);(171.04463,51.9);(172.04849,8.3);(173.06023,16.1);(174.06581,1.9);(201.05508,100.0);(202.05978,12.8);(203.06058,1.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03934,4.4);(79.05465,2.0);(89.03997,5.3);(103.05738,2.8);(115.05473,100.0);(116.05833,11.2);(135.04575,6.9);(143.04921,9.1);(171.04599,2.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(201.05498,7.6);(202.05885,1.1);(286.14392,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(112.07704,2.3);(115.05462,16.2);(116.05892,1.5);(135.04445,14.1);(136.04877,1.6);(143.04987,12.0);(144.0537,1.5);(159.04561,2.9);(171.04619,7.9);(172.04707,1.1);(173.06059,4.2);(201.05606,66.9);(202.05913,9.1);(286.14621,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.03852,2.14);(69.07072,7.14);(84.08051,4.89);(86.09736,2.65);(103.0528,1.22);(112.07488,12.97);(115.05394,48.86);(117.06625,1.58);(127.05701,1.77);(134.09804,1.17);(135.0439,56.62);(143.04755,34.07);(150.09119,1.63);(151.09868,5.98);(159.04439,7.88);(171.04633,31.41);(173.05832,15.53);(185.09464,2.09);(200.4397,2.21);(201.05611,100.0);(215.1095,2.02);(286.14737,59.15)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.03934,4.4);(79.05465,2.0);(89.03997,5.31);(103.05738,2.8);(105.03665,1.0);(115.05473,100.0);(116.05833,11.21);(117.0603,1.0);(135.04575,6.91);(143.04921,9.11);(159.04092,1.0);(171.04599,2.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(69.0707,7.8);(79.05579,1.5);(84.08129,3.0);(86.09948,2.3);(103.05434,3.1);(112.0768,6.5);(115.05473,91.8);(116.05821,11.4);(117.07329,3.2);(127.05355,3.5);(131.04723,1.3);(134.09644,1.3);(135.04462,60.7);(136.04797,5.1);(143.04997,76.9);(144.05231,10.9);(145.06638,1.3);(150.09366,1.1);(151.10172,5.7);(159.04497,17.5);(160.04646,2.5);(171.04439,54.9);(172.04892,7.3);(173.06003,15.9);(174.06995,1.5);(201.05522,100.0);(202.05948,16.0);(203.06204,2.5)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.05477522,0.2849576537);(47.01330434,0.6680519504);(55.05477522,0.3125262169);(57.07042529,0.6009731376);(69.07042529,0.390872606);(84.08132432,1.218418688);(86.09697438,16.8403414);(112.0762389,1.27973714);(116.1075391,0.403347874);(122.0605889,0.4496204739);(123.0446045,0.6768421238);(124.0762389,0.4886222574);(126.091889,0.7790339381);(137.0602545,0.8158230214);(138.091889,0.661118283);(147.0446045,0.6890731258);(148.0762389,1.227833566);(150.091889,2.467093478);(160.0762389,0.3038268592);(161.0602545,0.5242492157);(162.091889,0.4492646014);(164.1075391,1.484126273);(173.0602545,2.518912076);(201.0551691,4.898122587);(238.1231891,0.4874940704);(240.1388392,0.3482706729);(254.1181038,0.7809027535);(256.1337538,4.317701828);(268.1337538,2.07904961);(270.1130184,0.2603520895);(286.1443185,51.29344043)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(51.0234751,1.203497965);(57.07042529,0.6168568789);(67.01838972,1.60638051);(69.07042529,1.670097354);(84.08132432,2.080666954);(86.09697438,20.90611217);(112.0762389,2.589341098);(123.0446045,1.097388288);(124.0762389,0.7795788923);(126.091889,0.8579510892);(134.0605889,1.49897144);(136.0762389,1.302409894);(137.0602545,0.895453885);(138.091889,2.206152204);(147.0446045,2.524019309);(148.0762389,5.99242071);(150.091889,4.881358803);(160.0762389,0.7711129655);(161.0602545,1.450413552);(162.091889,1.078836828);(164.1075391,2.783535776);(173.0602545,9.015321861);(175.0759046,0.7716042543);(201.0551691,9.464010791);(230.0817182,0.9652282857);(244.0973683,0.8452533229);(254.1181038,0.5948268464);(256.1337538,3.202275554);(268.1337538,1.936280235);(270.1130184,0.7463083369);(286.1443185,13.66633395)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03912516,3.632671566);(43.05477522,2.986712776);(51.0234751,4.257326024);(53.03912516,1.930599978);(55.05477522,5.441940152);(56.05002419,1.550970133);(57.07042529,5.73934214);(58.06567426,1.995987437);(65.03912516,1.427253248);(67.01838972,3.37048333);(69.07042529,8.547388877);(70.06567426,1.039044648);(75.0234751,1.13200317);(77.03912516,1.565013803);(84.08132432,7.392801989);(86.09697438,13.31105165);(91.05477522,1.281551542);(103.0547752,0.9139925794);(123.0446045,1.251134924);(126.091889,1.036500715);(127.0547752,8.021776528);(129.0704253,1.384986234);(136.0762389,1.649173944);(143.0496898,5.381741809);(147.0446045,2.808242899);(155.0496898,2.323567275);(171.0446045,1.764691107);(173.0602545,2.762677284);(201.0551691,1.062758326);(268.1337538,1.672288969);(270.1130184,1.364324943)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(29.00273965,0.2916639809);(44.99765427,0.7770488192);(47.01330434,0.1061593985);(55.05477522,0.2102231739);(69.07042529,0.2038448353);(84.08132432,3.580230078);(95.01330434,0.1134363089);(110.0605889,0.866198418);(112.0762389,0.6999085779);(121.0289544,0.1484271582);(122.0605889,0.2382083739);(124.0762389,0.9402462391);(135.0446045,0.2516033889);(153.0340398,0.113444522);(159.0446045,0.8053165697);(161.0602545,0.5036482229);(163.0759046,0.2635129664);(173.0602545,0.4494207238);(199.0395191,4.336366118);(201.0551691,0.1752637709);(216.0660682,0.1185671124);(236.1075391,0.3628911562);(238.1231891,2.09927812);(240.1388392,0.3587810249);(242.0817182,0.305150012);(254.1181038,1.550431192);(256.0973683,0.1648100848);(258.1130184,0.3939302804);(266.1181038,1.131295783);(268.0973683,0.2013641501);(284.1286684,78.23932944)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,1.419198318);(55.05477522,0.5860596003);(68.05002419,0.3971695375);(69.07042529,0.4335801392);(82.06567426,0.5030959461);(84.08132432,27.01695201);(108.0449388,0.3876128368);(110.0605889,3.249467286);(112.0762389,2.384757872);(122.0605889,0.6317160582);(124.0762389,3.17773833);(135.0446045,0.4865221292);(153.0340398,0.5780253239);(155.0496898,0.5034262355);(159.0446045,0.7603532369);(161.0602545,0.6166950563);(171.0446045,0.8646589287);(173.0602545,2.573293524);(183.0446045,0.3588149801);(199.0395191,8.25862733);(201.0551691,0.4730774906);(203.0708192,0.7240861341);(236.1075391,0.9055475398);(238.1231891,3.963700709);(240.1388392,0.4348158034);(254.1181038,2.312667718);(256.0973683,0.5229172564);(258.1130184,0.5010120497);(266.1181038,6.26490868);(268.0973683,1.332337644);(284.1286684,27.3771643)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(27.0234751,1.339829366);(29.00273965,1.931679332);(41.00273965,1.355130151);(41.03912516,1.099306443);(41.99798862,1.734957041);(42.03437413,3.78226045);(44.05002419,1.063310499);(55.05477522,2.210592665);(56.05002419,2.709981494);(67.05477522,2.82184705);(68.05002419,9.397959711);(70.06567426,1.479340659);(82.02928875,1.990214698);(82.06567426,1.715434202);(84.08132432,36.19663847);(96.04493881,1.586898211);(108.0449388,1.596198687);(110.0605889,1.935010265);(112.0762389,1.647977439);(121.0289544,1.231029868);(122.0605889,1.023358209);(124.0762389,2.702051165);(155.0496898,1.365350599);(159.0446045,1.309370687);(169.0289544,1.091038713);(183.0446045,1.770035134);(199.0395191,5.126003189);(214.0504181,3.097102076);(216.0660682,1.261637061);(266.1181038,1.147677578);(268.0973683,1.280778887)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(44.9982,7.53);(122.06114,18.73);(122.06114,18.73);(122.06114,18.73);(122.06114,18.73);(124.07679,7.15);(124.07679,7.15);(145.0295,12.44);(145.0295,12.44);(145.0295,12.44);(159.04515,27.03);(159.04515,27.03);(159.04515,27.03);(159.04515,27.03);(159.04515,27.03);(159.04515,27.03);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(161.0608,34.72);(173.0608,9.72);(173.0608,9.72);(173.0608,9.72);(173.0608,9.72);(252.103,9.82);(252.103,9.82);(254.11865,26.56);(254.11865,26.56);(254.11865,26.56);(254.11865,26.56);(254.11865,26.56);(254.11865,26.56);(254.11865,26.56);(256.1343,10.71);(256.1343,10.71);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(268.09792,34.31);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0);(284.12922,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,5.0);(67.01894,6.02);(67.01894,6.02);(82.06622,7.89);(84.08187,7.45);(97.0295,6.18);(97.0295,6.18);(97.0295,6.18);(97.0295,6.18);(145.0295,5.92);(145.0295,5.92);(145.0295,5.92);(147.04515,15.73);(147.04515,15.73);(147.04515,15.73);(147.04515,15.73);(159.04515,6.72);(159.04515,6.72);(159.04515,6.72);(159.04515,6.72);(159.04515,6.72);(159.04515,6.72);(169.0295,13.56);(169.0295,13.56);(171.04515,9.34);(171.04515,9.34);(173.0608,9.93);(173.0608,9.93);(173.0608,9.93);(173.0608,9.93);(174.09244,5.9);(182.06114,4.87);(184.07679,10.83);(186.09244,34.67);(187.04007,7.46);(188.10809,8.91);(188.10809,8.91);(198.09244,10.95);(198.09244,10.95);(216.103,5.2);(228.06662,6.67);(242.08227,10.88);(250.08735,8.31);(252.103,25.09);(252.103,25.09);(254.11865,22.29);(254.11865,22.29);(254.11865,22.29);(254.11865,22.29);(254.11865,22.29);(254.11865,22.29);(254.11865,22.29);(256.09792,10.33);(256.09792,10.33);(256.09792,10.33);(258.11357,8.81);(258.11357,8.81);(258.11357,8.81);(266.08227,16.56);(266.08227,16.56);(266.11865,13.2);(266.11865,13.2);(266.11865,13.2);(266.11865,13.2);(266.11865,13.2);(266.11865,13.2);(266.11865,13.2);(266.11865,13.2);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(268.09792,57.91);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0);(282.11357,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(161.05971,2.88);(161.05971,2.88);(161.05971,2.88);(161.05971,2.88);(161.05971,2.88);(161.05971,2.88);(201.05462,14.19);(201.05462,14.19);(201.05462,14.19);(201.05462,14.19);(201.05462,14.19);(201.05462,14.19);(256.13321,8.13);(256.13321,8.13);(256.13321,8.13);(256.13321,8.13);(256.13321,8.13);(256.13321,8.13);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(84.08078,8.62);(84.08078,8.62);(84.08078,8.62);(86.09643,10.34);(86.09643,10.34);(86.09643,10.34);(86.09643,10.34);(135.04406,8.95);(138.09134,8.17);(138.09134,8.17);(138.09134,8.17);(150.09134,7.05);(150.09134,7.05);(161.05971,32.83);(161.05971,32.83);(161.05971,32.83);(161.05971,32.83);(161.05971,32.83);(161.05971,32.83);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(163.07536,21.36);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(173.05971,34.64);(183.04406,13.24);(201.05462,26.77);(201.05462,26.77);(201.05462,26.77);(201.05462,26.77);(201.05462,26.77);(201.05462,26.77);(230.08117,11.63);(232.09682,7.24);(240.13829,16.57);(240.13829,16.57);(242.15394,10.13);(244.09682,31.81);(244.09682,31.81);(254.11756,13.66);(254.11756,13.66);(256.13321,19.27);(256.13321,19.27);(256.13321,19.27);(256.13321,19.27);(256.13321,19.27);(256.13321,19.27);(258.11247,8.15);(258.11247,8.15);(258.11247,8.15);(258.14886,6.46);(258.14886,6.46);(268.13321,9.02);(268.13321,9.02);(268.13321,9.02);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0);(286.14377,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(77.03858,7.48);(77.03858,7.48);(84.08078,22.57);(84.08078,22.57);(84.08078,22.57);(87.02293,5.5);(89.03858,6.35);(89.03858,6.35);(91.05423,8.91);(91.05423,8.91);(99.02293,9.52);(103.05423,6.9);(112.07569,9.26);(115.05423,4.96);(123.04406,4.27);(125.03858,13.18);(127.05423,7.0);(129.06988,7.09);(135.04406,7.71);(141.03349,10.88);(141.03349,10.88);(145.06479,4.75);(145.06479,4.75);(145.06479,4.75);(147.04406,9.28);(147.04406,9.28);(155.04914,9.5);(155.04914,9.5);(155.04914,9.5);(161.05971,7.7);(161.05971,7.7);(161.05971,7.7);(161.05971,7.7);(161.05971,7.7);(161.05971,7.7);(171.04406,15.89);(171.04406,15.89);(171.04406,15.89);(171.04406,15.89);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(173.05971,100.0);(183.04406,5.95);(185.05971,12.62);(200.0706,4.29);(201.05462,6.8);(201.05462,6.8);(201.05462,6.8);(201.05462,6.8);(201.05462,6.8);(201.05462,6.8);(230.08117,7.29);(254.11756,9.47);(254.11756,9.47);(258.11247,3.77);(258.11247,3.77);(258.11247,3.77);(268.13321,7.29);(268.13321,7.29);(268.13321,7.29);(284.12812,4.59);(284.12812,4.59)

Food Sources

	Name	Group
	Pepper	Herbs and Spices		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 Piperine