PhytoHub: Showing entry for Dihydrocapsaicin

Dihydrocapsaicin

Identification

PhytoHub ID

PHUB001445

Name

Dihydrocapsaicin

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

307.434

Monoisotopic Mass

307.214743798

Chemical Formula

C₁₈H₂₉NO₃

IUPAC Name

N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide

InChI Key

XJQPQKLURWNAAH-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)

SMILES

COC1=C(O)C=CC(CNC(=O)CCCCCCC(C)C)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 1.44e-02 g/l
LogS (ALOGPS): -4.33
LogP (ALOGPS): 4.56
Hydrogen Acceptors: 3
Hydrogen Donors: 2
Rotatable Bond Count: 10
Polar Surface Area: 58.56
Refractivity: 89.2008
Polarizability: 36.54705180199188
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -1.419850315871417
pKa (strongest acidic): 9.928691783033129
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 46932
PubChem: 107982
Chemistry Dashboard: DTXSID4041864
MetaboLights: MTBLC46932
Phenol-Explorer: 716
FooDB (Compounds): FDB017816
PeakForestCompound: 000884

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Miscellaneous polyphenols
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Phenols
Super-class: Benzenoids
Sub-class: Methoxyphenols
Direct Parent Name: Methoxyphenols
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Carboximidic acids", "Hydrocarbon derivatives", "Methoxybenzenes", "Organonitrogen compounds", "Organopnictogen compounds", "Phenoxy compounds", "Propargyl-type 1,3-dipolar organic compounds"]
External Descriptor Annotations: ["Capsaicinoids and derivatives", "N-acyl amines", "an alkaloid", "capsaicinoid"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "Alkyl aryl ether", "Anisole", "Aromatic homomonocyclic compound", "Carboximidic acid", "Carboximidic acid derivative", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic 1,3-dipolar compound", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenol ether", "Phenoxy compound", "Propargyl-type 1,3-dipolar organic compound"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,1.548339374);(41.03857442,8.206398604);(42.04639902,2.906936299);(43.05422362,15.33724144);(55.05422362,2.047712764);(57.06987282,4.759718692);(71.08552202,1.962197915);(83.08552202,1.617468616);(85.10117122,1.928763061);(97.10117122,1.600259517);(99.11682042,2.124159372);(111.1168204,1.854890833);(112.124645,1.675111806);(113.1324696,2.289434138);(123.0440518,1.981761341);(127.1481188,2.020701008);(135.0440518,1.570885435);(136.0518764,1.601235473);(137.059701,9.31352785);(150.0549496,1.948760855);(152.0705988,2.961321227);(155.1430329,3.651335293);(157.1586821,1.578461565);(180.0655129,2.362145005);(208.0968113,3.386233496);(222.1124605,3.348206433);(236.1281097,3.310650109);(250.1437589,3.273561441);(264.1594081,2.139076857);(291.1828819,1.712273587);(292.1907065,3.981230596)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(41.03857442,3.030127052);(42.04639902,1.058691736);(43.05422362,5.303417277);(44.01308792,0.9531738428);(55.05422362,0.9561693568);(57.06987282,1.034777513);(71.08552202,0.8671348634);(73.04679982,4.367712778);(83.08552202,0.894764137);(85.10117122,0.8578123619);(97.10117122,0.7398255664);(99.11682042,0.9888435023);(111.1168204,0.958103542);(113.1324696,2.15056728);(127.1481188,4.456726991);(155.1430329,1.159866209);(193.0679264,1.970285791);(195.0835756,0.923485397);(209.0992248,2.046685297);(224.1101226,1.41066919);(252.1050367,2.085744661);(280.1363351,1.239966086);(294.1519843,1.564347342);(306.2063557,0.8878886496);(307.2141803,0.9289793701);(308.1676335,1.54742923);(322.1832827,1.478733296);(336.1989319,1.206622086);(363.2224057,0.7544046063);(364.2302303,4.905753071);(365.2328856,1.395267599)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(41.03857442,3.951819317);(42.04639902,1.268018724);(43.05422362,6.643286446);(44.01308792,1.016986382);(55.05422362,1.145225381);(57.06987282,1.239376125);(71.08552202,0.9163792112);(85.10117122,1.032356229);(97.10117122,0.8861055946);(99.11682042,0.8300785654);(111.1168204,1.147541998);(113.1324696,2.570194527);(123.0440518,0.8717162678);(127.1481188,2.991188677);(135.0440518,1.032952909);(136.0518764,1.181286456);(137.059701,2.91465025);(138.0675256,0.9456926258);(152.0705988,2.453911118);(155.1430329,1.408563317);(180.0655129,2.891318869);(207.0889867,0.9357804682);(208.0968113,1.656915688);(221.1046359,0.9373320009);(222.1124605,2.089529298);(235.1202851,0.9268179172);(236.1281097,2.066091364);(249.1359343,0.7962973899);(250.1437589,1.988966773);(264.1594081,1.623114499);(292.1907065,2.236278626)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(45.014214,120.0);(45.85004,132.0);(45.895878,216.0);(45.943085,192.0);(46.539989,180.0);(46.601112,192.0);(46.809044,140.0);(47.036934,128.0);(47.337742,112.0);(47.380203,176.0);(47.389793,168.0);(47.565346,200.0);(47.877476,192.0);(48.124321,216.0);(48.632408,168.0);(48.701839,88.0);(49.495422,120.0);(49.527634,192.0);(49.585083,180.0);(49.898132,248.0);(50.426785,136.0);(50.626278,168.0);(50.644688,128.0);(50.665939,248.0);(50.843193,76.0);(51.30978,168.0);(51.435322,224.0);(51.602478,108.0);(52.325626,172.0);(52.345787,148.0);(52.432228,156.0);(53.680508,100.0);(53.716972,256.0);(53.949177,148.0);(54.228775,176.0);(55.308495,228.0);(55.656906,220.0);(56.171879,228.0);(56.339085,136.0);(56.603832,176.0);(56.638283,200.0);(56.747684,268.0);(57.475719,32.0);(57.659966,148.0);(57.728001,224.0);(57.823315,184.0);(57.927795,204.0);(58.206875,228.0);(58.332985,164.0);(58.570381,180.0);(58.599327,232.0);(58.641994,140.0);(58.753319,128.0);(59.046612,216.0);(59.256336,192.0);(59.27779,148.0);(59.417328,172.0);(59.603119,204.0);(60.061924,180.0);(60.584446,148.0);(60.838791,232.0);(61.542553,176.0);(62.230381,72.0);(62.416935,172.0);(62.681396,196.0);(62.813839,196.0);(63.115505,112.0);(63.67017,188.0);(64.818832,36.0);(64.921432,208.0);(65.032135,212.0);(65.408279,180.0);(65.553238,196.0);(66.071564,204.0);(66.178383,112.0);(66.285294,100.0);(66.561066,164.0);(66.68779,268.0);(66.782097,100.0);(66.928574,200.0);(67.003494,168.0);(68.221153,132.0);(68.232666,152.0);(68.36097,204.0);(68.566833,132.0);(68.982803,264.0);(69.139938,164.0);(69.361893,168.0);(69.408318,96.0);(69.421585,92.0);(70.038216,44.0);(70.246162,140.0);(70.333359,64.0);(70.355064,204.0);(70.580627,168.0);(70.670959,136.0);(70.72953,80.0);(70.788132,40.0);(70.838379,100.0);(71.37043,92.0);(71.388924,160.0);(71.727356,184.0);(71.7948,72.0);(72.279648,176.0);(72.499802,144.0);(72.839149,112.0);(73.365005,192.0);(73.544121,144.0);(73.815773,120.0);(74.740387,252.0);(74.917732,92.0);(75.069412,128.0);(75.274773,136.0);(75.909882,232.0);(76.384048,160.0);(76.511093,92.0);(76.554619,204.0);(76.660889,200.0);(76.786415,160.0);(77.041275,236.0);(77.144386,168.0);(77.26506,144.0);(77.389854,200.0);(77.938354,244.0);(78.019211,128.0);(78.138809,216.0);(78.2761,172.0);(78.596931,132.0);(78.610168,20.0);(78.718735,192.0);(78.838867,160.0);(78.921951,224.0);(79.472832,76.0);(79.542046,132.0);(79.783653,156.0);(80.300072,156.0);(80.491028,292.0);(81.325325,200.0);(82.118828,112.0);(83.121117,172.0);(83.139267,140.0);(83.211876,176.0);(83.300865,168.0);(83.382637,136.0);(83.489899,192.0);(83.642738,228.0);(83.659126,208.0);(84.160522,176.0);(84.403549,164.0);(85.438034,112.0);(85.467476,112.0);(85.677376,160.0);(86.613998,200.0);(86.649193,160.0);(86.751129,48.0);(86.788139,212.0);(87.048004,44.0);(87.207779,200.0);(87.661903,68.0);(87.779343,128.0);(88.731102,260.0);(88.918694,192.0);(88.944969,176.0);(88.988152,164.0);(89.162857,140.0);(89.965302,208.0);(90.593178,192.0);(90.980057,216.0);(91.065514,88.0);(91.34684,188.0);(91.379181,128.0);(91.491478,136.0);(91.643845,164.0);(91.914612,144.0);(91.958511,212.0);(92.052269,176.0);(92.24826,216.0);(92.463097,140.0);(92.497551,160.0);(93.055321,384.0);(93.072723,152.0);(93.139946,84.0);(93.310478,228.0);(93.744087,104.0);(94.164673,84.0);(94.479767,136.0);(94.973747,184.0);(95.084351,156.0);(96.439987,216.0);(96.47908,116.0);(96.580772,148.0);(96.615982,120.0);(96.798019,60.0);(96.935143,216.0);(97.55735,144.0);(97.667473,156.0);(97.695015,260.0);(99.084518,100.0);(99.948647,84.0);(100.37693,176.0);(100.582428,136.0);(100.888077,28.0);(100.95266,200.0);(100.968063,156.0);(101.222221,260.0);(101.286316,200.0);(102.089157,136.0);(102.526031,176.0);(102.586502,196.0);(102.600609,160.0);(103.3965,168.0);(103.542267,112.0);(103.921356,136.0);(104.004562,200.0);(104.048027,176.0);(104.282837,176.0);(105.036247,40.0);(105.054802,372.0);(105.070267,124.0);(105.075668,184.0);(105.121941,60.0);(105.409874,72.0);(105.507988,120.0);(105.589783,156.0);(105.741188,180.0);(105.784172,200.0);(105.806694,192.0);(105.909088,192.0);(106.065125,17928.0);(106.179642,36.0);(106.198105,176.0);(106.24939,56.0);(106.285316,164.0);(106.358154,48.0);(106.464569,164.0);(106.507271,104.0);(106.697113,196.0);(106.863716,216.0);(107.068054,908.0);(107.141663,48.0);(107.57888,28.0);(107.673866,84.0);(107.74823,88.0);(107.778923,136.0);(108.006645,48.0);(108.06871,252.0);(108.58902,224.0);(108.866791,148.0);(108.933258,260.0);(109.037155,184.0);(109.255493,164.0);(109.671982,68.0);(109.966087,164.0);(110.112236,208.0);(110.913628,124.0);(111.085579,176.0);(111.364769,76.0);(111.442497,192.0);(111.461411,132.0);(112.27401,152.0);(112.30143,204.0);(112.525124,140.0);(113.066277,200.0);(113.178474,148.0);(113.502686,124.0);(113.865585,52.0);(114.661308,160.0);(115.575325,104.0);(115.827957,232.0);(115.875084,60.0);(115.967232,164.0);(116.074432,160.0);(116.100952,256.0);(116.83049,244.0);(117.039261,112.0);(117.054337,168.0);(117.506996,92.0);(117.686142,164.0);(117.858948,156.0);(118.06472,616.0);(118.495087,156.0);(118.698837,172.0);(118.963539,196.0);(119.074135,172.0);(119.400299,116.0);(119.474258,132.0);(119.522125,88.0);(119.650543,84.0);(119.756752,192.0);(119.846573,160.0);(119.9431,192.0);(120.056992,476.0);(120.080696,30556.0);(120.116913,80.0);(120.139252,100.0);(120.156364,64.0);(120.202003,64.0);(120.21946,40.0);(120.241287,64.0);(120.263115,40.0);(120.289093,204.0);(120.330788,72.0);(120.370094,60.0);(120.387566,128.0);(120.467728,80.0);(120.544853,60.0);(120.632278,72.0);(120.665077,44.0);(120.684753,44.0);(120.780983,140.0);(120.813797,44.0);(120.921021,56.0);(120.952446,180.0);(120.986687,44.0);(121.008583,80.0);(121.087234,7276.0);(121.133415,92.0);(121.156578,84.0);(121.22982,36.0);(121.24736,192.0);(121.278046,52.0);(121.326271,72.0);(121.356964,68.0);(121.453461,40.0);(121.563164,92.0);(121.853012,96.0);(121.901352,108.0);(121.948235,96.0);(121.991989,84.0);(122.053032,140.0);(122.088547,336.0);(122.174004,136.0);(122.70919,132.0);(122.806221,60.0);(122.918739,84.0);(122.980537,68.0);(123.011444,44.0);(123.115517,148.0);(123.196945,52.0);(125.924797,56.0);(127.870964,100.0);(128.118668,124.0);(128.881287,152.0);(129.220444,76.0);(129.730026,120.0);(130.356476,80.0);(131.112045,140.0);(131.47467,140.0);(132.176239,84.0);(136.520233,160.0);(139.00589,164.0);(143.076233,212.0);(148.403122,44.0);(156.077026,160.0);(156.965286,140.0);(158.984833,208.0);(163.195953,188.0);(165.070175,112.0);(166.071564,184.0);(168.067642,436.0);(169.319153,116.0);(172.78653,116.0);(183.097717,140.0);(193.549835,60.0);(194.087402,216.0);(194.345367,36.0);(195.095276,324.0);(206.482758,100.0);(208.25119,68.0);(211.086884,196.0);(212.071472,104.0);(212.091766,76.0);(226.871613,68.0);(227.116821,728.0);(227.21051,68.0);(228.117264,356.0);(229.119629,128.0);(241.821045,88.0);(243.541901,84.0);(252.769073,76.0);(263.206543,20.0);(273.967163,40.0);(353.098785,184.0);(457.789734,44.0);(494.340485,76.0);(498.357971,100.0);(540.66217,120.0);(567.890137,72.0);(667.110535,60.0);(717.140747,76.0);(816.581909,220.0);(832.091248,76.0);(877.105652,252.0);(879.057861,120.0);(886.455811,160.0);(889.813171,100.0);(922.598328,204.0);(965.588623,256.0);(994.813599,180.0);(1000.975342,240.0);(1004.744568,144.0);(1008.754822,256.0);(1032.581055,216.0);(1040.135498,192.0);(1103.776611,148.0);(1109.046631,132.0);(1110.624756,136.0);(1113.505371,192.0);(1114.222778,200.0);(1117.660278,100.0);(1118.292603,128.0);(1118.512207,176.0);(1122.909912,160.0);(1123.423584,212.0);(1132.340698,172.0);(1133.707397,136.0);(1134.283813,192.0);(1136.195068,116.0);(1139.941895,180.0);(1145.196289,136.0);(1145.667847,212.0);(1154.868774,116.0);(1155.315186,136.0);(1159.255981,208.0);(1161.690186,216.0);(1162.144653,132.0);(1169.041992,72.0);(1174.301636,200.0);(1174.88147,256.0);(1175.08606,92.0);(1180.236206,212.0);(1189.773682,132.0);(1192.54895,172.0);(1193.456421,188.0);(1194.522461,128.0);(1194.756348,144.0);(1195.210449,196.0);(1205.519897,188.0);(1208.728638,184.0);(1208.825439,136.0);(1208.931641,228.0);(1210.660034,224.0);(1216.255371,144.0);(1218.088501,136.0);(1220.946167,164.0);(1221.404419,44.0);(1224.745605,224.0);(1228.775024,184.0);(1229.42395,36.0);(1230.408203,80.0);(1233.803589,220.0);(1234.572754,188.0);(1234.866577,156.0);(1236.020874,192.0);(1237.74292,232.0);(1237.945923,172.0);(1242.241943,240.0);(1242.951172,124.0);(1244.186523,132.0);(1244.565674,104.0);(1244.621826,84.0);(1245.057251,188.0);(1248.500977,224.0);(1249.429443,156.0);(1252.125488,124.0);(1256.820557,136.0);(1259.489258,180.0);(1265.797974,172.0);(1269.241821,60.0);(1273.237305,168.0);(1274.210449,144.0);(1277.672852,224.0);(1280.328003,172.0);(1283.855713,180.0);(1287.352661,156.0);(1287.66687,144.0);(1289.031494,208.0);(1289.953491,156.0);(1290.568359,232.0);(1290.975952,204.0);(1299.306519,132.0);(1300.268066,60.0);(1304.527588,192.0);(1308.563721,196.0);(1311.877808,196.0);(1313.356079,184.0);(1313.709595,180.0);(1314.669312,216.0);(1318.771606,36.0);(1320.391235,108.0);(1321.6427,204.0);(1323.857788,220.0);(1324.198242,216.0);(1325.574707,152.0);(1334.226807,28.0);(1337.114746,128.0);(1338.592529,180.0);(1340.136841,204.0);(1340.7854,156.0);(1341.827759,168.0);(1344.271362,124.0);(1345.483032,148.0);(1346.074463,244.0);(1346.38855,216.0);(1346.797607,48.0);(1348.266113,140.0);(1352.596191,152.0);(1354.756592,20.0);(1365.208862,200.0);(1366.040039,116.0);(1368.328857,228.0);(1377.673218,216.0);(1384.256104,160.0);(1386.834351,124.0);(1388.265259,192.0);(1390.067993,124.0);(1391.129395,200.0);(1391.270386,180.0);(1391.908936,196.0);(1394.434814,220.0);(1398.049438,156.0);(1399.441406,180.0);(1401.698486,188.0);(1402.85376,156.0);(1403.055054,160.0);(1403.770874,120.0);(1404.568848,172.0);(1408.794067,288.0);(1413.706665,116.0);(1414.84436,140.0);(1416.132446,160.0);(1416.439575,156.0);(1417.151245,172.0);(1418.605225,212.0);(1420.847656,96.0);(1421.507935,148.0);(1424.383545,216.0);(1425.232544,140.0);(1428.32251,124.0);(1431.92041,108.0);(1433.012695,108.0);(1436.60144,200.0);(1437.929565,116.0);(1438.812744,184.0);(1439.824585,172.0);(1440.5271,108.0);(1441.282593,156.0);(1441.773804,208.0);(1442.801758,56.0);(1445.52478,128.0);(1445.751831,172.0);(1447.962524,228.0);(1448.288208,200.0);(1449.409546,116.0);(1451.65332,224.0);(1451.850586,164.0);(1452.935303,148.0);(1455.607056,272.0);(1458.821045,188.0);(1460.281006,140.0);(1461.414551,160.0);(1465.198608,160.0);(1466.585571,188.0);(1467.660522,84.0);(1467.896851,180.0);(1468.590942,176.0);(1468.926514,104.0);(1471.345825,196.0);(1472.208618,164.0);(1472.407227,248.0);(1474.256104,192.0);(1474.569336,56.0);(1477.383423,184.0);(1480.031616,152.0);(1480.092896,160.0);(1480.360962,104.0);(1480.820435,228.0);(1481.18042,244.0);(1481.555786,132.0);(1482.92749,164.0);(1484.9823,128.0);(1486.248169,172.0);(1486.324951,156.0);(1487.146118,184.0);(1492.293213,196.0);(1495.963013,160.0);(1498.019287,152.0);(1502.09729,164.0);(1502.976807,120.0);(1504.999146,140.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(170.1565,100.0);(306.2069,7.776801)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(141.015,0.52414);(170.1544,100.0);(170.192,2.673809);(170.211,1.299961);(170.2378,0.600337);(170.2757,1.687871);(306.2075,7.132467)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(170.1544,100.0);(170.1958,2.937616);(170.2126,1.056951);(170.241,0.717428);(170.2751,1.532284)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(141.8552,1.815642);(152.143,5.586592);(170.1539,100.0);(170.1898,1.606145);(170.6053,1.46648)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(170.142357,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(136.072665,0.526474);(170.152787,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(170.009838,0.927113);(170.996389,1.183996);(171.990146,5.904538);(173.006178,0.683631);(183.012974,13.125698);(184.021292,22.057433);(185.011639,100.0);(186.014075,27.818512);(187.00362,2.055842);(197.027116,0.859349);(198.027662,2.093263);(199.029168,11.304689);(200.032273,5.989482);(201.039771,0.592423);(213.057572,2.021122);(214.054187,1.921434);(226.056444,0.695148);(227.063977,2.957774);(228.055196,1.697542);(240.081023,0.594445);(241.083647,3.648304);(242.096799,1.767276);(255.111095,1.638519);(256.115127,0.913596);(269.167977,0.824899);(270.119046,0.695896);(275.260875,3.840383);(276.264317,2.225678);(277.278685,2.09851);(279.300093,3.967775);(280.231734,0.908754);(283.189247,0.786673);(295.339558,3.222728);(297.292317,2.091236);(298.179123,1.631021);(312.28092,1.129278);(319.622455,0.733082);(323.278375,3.546647);(324.1985,1.627371);(341.250528,4.637272);(342.252641,0.574478)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(119.008404,0.511129);(170.009436,0.757257);(171.008236,1.07873);(171.984682,5.706775);(173.019649,0.7667);(183.015929,12.593177);(184.017723,21.352244);(185.015949,100.0);(186.021455,27.240747);(187.001838,2.12473);(197.032596,1.009657);(198.029953,2.166232);(199.040676,11.38842);(200.030987,5.499216);(201.040107,0.761308);(213.051639,1.959085);(214.042744,1.827015);(226.082781,0.63161);(227.066968,3.095467);(228.0613,1.717792);(240.089627,0.524387);(241.090823,3.707218);(242.08173,1.47698);(255.115466,1.65675);(256.114943,0.796722);(269.144822,0.719627);(270.104221,0.680441);(275.256622,3.603386);(276.269364,2.196918);(277.286112,2.158861);(279.297661,3.708229);(283.192956,0.529994);(295.341397,2.7548);(297.272996,1.619485);(298.160744,0.98817);(323.279861,3.0818);(324.18635,1.114028);(341.251956,4.503245);(342.27157,0.629788)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(94.0418,9.661724);(122.0365,14.040778);(137.0598,100.0);(184.1702,3.465246);(308.2225,2.722892)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(122.0332,1.023891);(137.0591,100.0);(137.0915,4.43686);(137.1196,1.663823);(137.1275,0.981229);(137.1388,1.023891);(137.168,1.194539);(155.1427,1.151877);(172.1693,1.535836);(184.1674,7.423208)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(122.0349,3.640257);(137.059,100.0);(137.0831,0.642398);(137.0955,3.517895);(137.1154,1.040073);(137.1353,1.162435);(137.1661,1.193025);(172.1643,1.193025);(184.164,0.734169)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(107.0511,1.426025);(122.0352,57.456922);(122.0655,1.485443);(122.0864,1.782531);(137.0588,100.0);(137.0932,2.673797);(137.168,1.30719)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(121.980731,0.601101);(128.050184,0.569155);(137.016665,100.0);(153.056668,0.796833);(172.120601,0.835566);(184.135806,17.325143)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(121.988862,0.634671);(128.058216,0.598763);(137.022148,100.0);(153.08057,0.889775);(172.139706,0.86064);(184.1402,17.419328)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(122.013579,0.704953);(128.054697,0.540797);(137.007148,100.0);(153.038884,0.908579);(172.143741,0.820437);(184.150468,16.847404)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(122.029651,0.624367);(128.104789,0.528661);(137.043491,100.0);(153.084096,0.815708);(172.140645,0.767141);(184.141322,15.619137)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(121.979403,0.736803);(137.019376,100.0);(153.040958,0.663);(172.10743,0.632939);(184.126864,14.080538)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(108.994472,0.542433);(121.961664,0.592592);(136.994804,100.0);(153.056618,0.654738);(172.127455,1.239542);(184.112985,18.297492);(230.008156,1.122476);(268.618785,10.11425);(269.083339,4.473509);(269.583339,1.858032);(277.327626,1.788384);(277.83334,0.770167);(278.250006,0.528089)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(121.978905,0.794702);(127.998536,0.632791);(135.045696,0.507842);(136.993839,100.0);(153.042558,1.078336);(172.123863,0.942658);(184.12843,18.856814);(268.640049,13.037769);(269.083339,4.020182);(269.583339,2.204528);(277.357591,2.371672);(278.33334,0.540867)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(156.135474,0.568934);(185.149581,0.50173);(200.148988,0.504809);(205.194918,0.855977);(212.230824,1.825894);(213.151842,0.675622);(215.048666,0.628084);(216.986851,0.778221);(219.043093,0.657576);(228.333337,0.549346);(232.129097,2.773269);(232.666671,0.571546);(256.265074,1.841272);(257.191725,0.551776);(265.135951,1.796534);(268.324673,0.851079);(283.203207,1.607843);(284.312632,1.417312);(287.125984,0.538903);(296.307751,0.501229);(297.28791,1.784287);(299.166673,0.613157);(299.648226,0.827782);(300.162432,0.613928);(305.135566,0.721505);(307.263341,45.096413);(308.276145,17.375021);(310.350577,6.517906);(311.330376,2.27641);(312.317869,1.588018);(313.22463,0.51268);(324.364278,100.0);(325.166674,17.356501);(326.166674,4.615692);(327.235412,2.231719);(327.83334,0.633997);(328.250007,0.87447);(329.115209,1.332276);(330.29942,0.523666);(340.326929,0.754922);(341.174504,1.929934);(342.2147,1.3002);(343.071668,0.927078);(346.26693,3.037672);(346.833341,1.922151);(347.250008,3.753492);(348.155465,0.685339);(349.245797,1.121409);(350.254553,1.833294);(353.227421,1.891398);(354.261978,3.439397);(355.083341,1.087928);(356.163393,1.694763);(367.276311,3.68854);(368.290757,10.430297);(369.166675,1.565457);(370.174634,3.564112);(371.163212,2.247363)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(136.955278,0.517117);(157.137747,0.602573);(185.132506,0.560289);(205.182849,0.81309);(212.284683,1.835829);(213.083337,0.733848);(217.038362,1.168813);(228.21926,0.677331);(231.15846,0.581403);(232.11407,2.220083);(240.175009,0.663631);(256.291343,1.994086);(265.07948,1.750992);(268.324331,1.383056);(273.171162,0.607379);(282.257825,0.678999);(283.291452,2.518001);(284.29831,6.966157);(287.116712,0.688946);(296.346635,0.599527);(297.293877,1.961519);(299.463993,0.891881);(300.162039,0.792107);(307.280538,43.553879);(308.296208,17.012801);(310.342591,6.781596);(311.344228,3.21327);(312.352709,1.587446);(313.214376,0.630224);(324.366556,100.0);(325.166674,17.935873);(326.166674,4.142206);(327.251939,2.21981);(328.1955,0.799999);(329.112277,1.184722);(330.170399,0.577116);(338.391882,0.504884);(340.331499,1.101334);(341.168643,1.966159);(342.210986,1.412071);(343.050363,0.664616);(345.266141,0.825093);(345.750007,0.55247);(346.281608,3.178091);(347.188828,3.986866);(348.207409,0.652386);(349.210932,1.603807);(350.215995,1.780845);(353.208116,1.789357);(354.205115,2.446978);(355.172934,1.057814);(355.666674,0.803569);(356.172143,1.296282);(357.208425,0.621411);(367.312359,4.335069);(368.2544,9.212112);(369.202555,0.820017);(370.18249,3.996194);(371.187067,2.481689)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(185.127842,0.505163);(205.141159,0.762033);(212.217592,1.899014);(213.147858,0.73683);(214.995976,0.505294);(217.002056,0.632486);(228.231168,0.805923);(232.135938,1.537032);(256.271611,2.101723);(265.12995,1.685755);(268.298058,1.164289);(273.133137,0.507434);(283.254666,1.920228);(284.302885,4.440853);(287.15427,0.703645);(296.358199,0.614729);(297.272809,1.608975);(299.500006,0.692621);(300.233425,0.717062);(305.089467,0.555211);(307.269817,50.238261);(308.299067,19.03937);(310.354371,6.092784);(311.313064,2.150611);(312.337019,1.583062);(313.24432,0.657859);(324.357635,100.0);(325.166674,18.642741);(326.102804,4.692598);(327.204207,1.506945);(328.213357,0.730256);(329.160228,1.301224);(340.310803,0.829769);(341.155493,2.146014);(342.223749,1.526946);(343.1232,0.992842);(344.166674,0.540001);(346.248817,2.749925);(346.750008,1.678346);(347.250008,2.666951);(348.218773,0.549604);(349.239724,1.171789);(350.194288,0.956542);(353.223207,1.621785);(354.239262,2.246613);(355.180391,0.937752);(356.206262,1.366843);(357.258229,0.512615);(367.254409,3.510376);(368.262939,7.35616);(369.208384,0.924964);(370.186261,4.230601);(371.186365,2.949753);(385.232451,0.525767)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(182.18225,0.248578);(184.083334,0.126535);(199.085194,0.231185);(200.250001,0.298187);(201.102133,0.125595);(203.25016,0.11846);(204.500001,0.11019);(213.17912,0.232186);(215.250002,0.137567);(215.298876,0.154721);(217.123465,0.268916);(222.166669,0.164981);(226.083335,0.135535);(226.274226,0.251815);(227.120322,0.568463);(228.159908,0.105527);(229.081988,0.203661);(230.218256,0.165212);(236.916669,0.104444);(241.500003,0.105778);(242.032977,0.190582);(243.166669,0.133698);(243.666669,0.102853);(244.198721,0.190787);(245.166669,0.298009);(255.147555,0.277037);(256.083336,0.143449);(256.343829,0.3442);(257.173947,0.25286);(258.027426,0.131124);(259.157578,0.31883);(260.083336,0.107376);(261.197609,0.395066);(270.19162,0.193433);(271.000003,0.21756);(271.250003,0.212488);(271.66667,0.127804);(272.16667,0.121464);(272.583337,0.167687);(273.091517,1.630507);(274.143172,1.124644);(277.000004,0.219468);(277.333337,0.134819);(278.122262,0.121654);(280.000004,0.128938);(283.222787,0.500227);(284.283184,0.536198);(284.583337,0.220933);(285.292791,0.242453);(286.333337,0.130534);(287.201843,1.22455);(288.083337,0.110847);(289.07889,0.15113);(289.333337,0.143999);(291.166671,0.16076);(291.2305,0.16076);(292.044859,0.120382);(293.333337,0.106176);(295.203278,0.778823);(296.333338,0.20583);(297.416671,0.15789);(301.08002,0.180223);(302.916671,0.107216);(303.250004,0.106785);(305.149878,1.141643);(306.194262,1.252136);(307.220147,2.402488);(308.083338,0.596797);(308.333338,0.685628);(309.150753,0.814488);(310.23375,0.180284);(311.32531,0.852948);(312.276813,0.317101);(313.132093,0.215978);(313.500005,0.103843);(314.053474,0.218096);(314.333338,0.121894);(315.186774,0.260276);(316.833338,0.105039);(317.333338,0.101625);(317.583338,0.132354);(319.083338,0.139622);(321.198096,0.452547);(322.14225,0.142399);(322.74427,0.186541);(325.092528,0.188382);(327.333338,0.335099);(329.083339,0.197357);(329.180972,0.197357);(330.26981,0.229178);(331.208274,5.009569);(332.245485,1.198775);(333.074656,0.195931);(334.583339,0.110439);(334.833339,0.105944);(335.166672,0.114311);(335.416672,0.153525);(336.29165,0.142127);(338.416672,0.104827);(339.166672,0.154946);(340.416672,0.206462);(341.416672,0.114296);(343.250006,0.143539);(344.000006,0.200394);(344.250006,0.177169);(344.996571,0.206692);(346.132989,0.216355);(346.416672,0.148968);(347.136386,0.168454);(347.833339,0.138514);(348.166672,0.172612);(349.237916,2.288396);(350.296975,0.549683);(352.250006,0.152351);(352.666673,0.102034);(352.916673,0.143641);(353.250006,0.143444);(354.12339,0.104251);(355.228442,0.191699);(356.210038,0.149243);(358.217608,0.419073);(359.226162,0.387296);(360.416673,0.18799);(363.416673,0.152796);(363.666673,0.152773);(364.189022,0.147832);(365.232227,0.871053);(366.207341,0.254595);(367.166673,0.158276);(368.209753,0.107965);(369.408383,0.230161);(371.091566,0.228048);(371.33334,0.124873);(371.500006,0.189803);(372.351146,0.295115);(373.166673,0.240693);(373.242372,0.240693);(374.120848,0.159195);(374.520126,0.12139);(374.916673,0.207019);(375.274287,0.60206);(376.232489,0.265569);(377.055601,0.215406);(378.166673,0.257809);(379.235515,0.196601);(381.33334,0.113038);(382.241657,0.134853);(384.250007,0.122072);(385.298073,0.134539);(386.261756,0.109373);(387.211734,0.224975);(388.33334,0.113542);(389.088829,0.116424);(390.323515,0.341825);(391.08334,0.254005);(391.33334,0.22683);(392.118537,0.150131);(392.33334,0.105264);(393.250653,0.629147);(394.278934,0.298909);(394.58334,0.175679);(395.250007,0.131866);(395.384687,0.162549);(397.000007,0.167202);(397.403477,0.252909);(398.083341,0.147292);(398.333341,0.163148);(399.333341,0.159312);(400.083341,0.120877);(400.5743,0.103093);(402.083341,0.111862);(403.000007,0.165631);(403.250007,0.229826);(404.172479,0.460357);(404.666674,0.223539);(405.333341,0.231367);(406.177755,0.245408);(407.232785,0.328672);(408.312113,0.136498);(409.215647,1.596905);(410.238794,0.188004);(411.140882,0.287937);(412.323511,0.164465);(413.000008,0.167742);(413.250008,0.312811);(415.238421,0.661436);(416.583341,0.107087);(417.333341,0.182678);(419.207143,0.2831);(420.250008,0.368515);(420.311536,0.368515);(421.207523,0.309034);(422.22922,0.228664);(423.166675,0.190722);(423.273664,0.28476);(424.166122,0.175198);(425.180535,0.212741);(426.271562,0.272877);(427.32217,0.241151);(428.333341,0.169865);(429.200176,0.210632);(430.333342,0.222355);(431.300142,5.62893);(432.286997,0.832695);(433.259393,0.394378);(434.243388,0.365883);(434.697925,0.29227);(435.289534,0.468278);(436.12338,0.193768);(437.250008,0.638329);(437.356248,0.713642);(438.166675,0.420574);(438.226285,0.420574);(439.083342,0.112217);(439.333342,0.207144);(440.197284,0.12279);(441.000009,0.229513);(441.250009,0.186464);(442.250009,0.41956);(443.359362,13.202971);(444.342302,2.310857);(444.916675,0.226915);(445.292105,1.035078);(446.263416,0.305483);(447.250009,0.133376);(447.500009,0.179324);(448.250009,0.164469);(449.250009,0.187294);(450.916675,0.191424);(451.250009,0.212516);(451.250009,0.212516);(452.333342,0.223456);(453.166676,0.386836);(453.416676,0.324451);(454.310968,0.248705);(454.916676,0.151598);(455.333342,0.316253);(455.857741,0.148183);(456.250009,0.146618);(457.268754,0.325628);(458.025103,0.183789);(458.416676,0.159335);(458.750009,0.196062);(459.348976,0.564341);(459.750009,0.297601);(460.000009,0.610304);(460.250009,1.053076);(460.772134,3.781618);(461.250009,1.567965);(461.750009,0.352795);(462.250009,0.332859);(463.000009,0.154446);(463.500009,0.260549);(464.352005,1.292812);(464.927428,0.412018);(465.333343,0.443263);(466.666676,0.109909);(467.083343,0.135669);(467.333343,0.341566);(468.200202,0.402104);(469.244811,0.252034);(470.250009,0.224871);(471.166676,0.276825);(471.500009,0.17416);(472.333343,0.188264);(472.333343,0.188264);(472.750009,0.233884);(472.916676,0.229472);(473.333343,0.462963);(474.207034,0.200662);(475.323812,0.303616);(477.083343,0.148597);(477.403543,0.195786);(478.083343,0.186622);(478.416676,0.32284);(479.257402,1.395399);(480.122008,0.279501);(480.697879,0.280391);(481.247208,0.897476);(482.166676,0.463604);(482.317235,0.635433);(483.350082,0.384077);(484.339665,0.209659);(484.916676,0.192298);(485.166677,0.226892);(485.50001,0.18828);(486.333343,0.247618);(487.083343,0.120149);(487.333343,0.359991);(488.333343,0.102198);(489.25001,0.265441);(489.50001,0.137535);(489.916677,0.129821);(490.49144,0.256769);(491.00001,0.119195);(491.25001,0.183316);(492.166677,0.119576);(493.166677,0.282219);(493.50001,0.23264);(494.333343,0.586165);(494.75001,0.481304);(495.213489,1.36283);(496.262442,0.278233);(496.583344,0.191512);(496.833344,0.345138);(497.333344,0.545979);(498.301265,1.530446);(499.284066,0.924953);(500.416677,0.376808);(501.24765,0.204785);(502.348507,0.361234);(503.326136,1.877079);(504.25001,0.188359);(505.316082,0.207823);(506.25001,0.138603);(507.261448,0.172602);(508.369289,0.488307);(509.083344,0.282533);(509.333344,0.218935);(509.583344,0.318518);(510.166677,0.208599);(511.214115,0.283943);(512.093675,0.264274);(512.500011,0.133538);(513.237603,0.486162);(514.232274,0.260877);(515.414138,0.384925);(516.333344,0.308826);(517.250011,0.166048);(519.333344,0.133675);(520.850317,0.12901);(521.189767,0.155396);(521.416678,0.105539);(521.778247,0.225624);(522.416678,0.105037);(523.118498,0.130869);(523.416678,0.175821);(523.666678,0.105058);(523.833344,0.220893);(524.272825,0.652782);(524.583344,0.314995);(524.833344,0.301837);(525.334478,0.752793);(526.265828,1.058817);(527.333344,1.106328);(527.583344,0.689869);(528.250011,1.305446);(528.750011,0.772815);(529.250011,0.578099);(529.833345,0.192467);(530.083345,0.1108);(530.526977,0.116081);(531.428183,0.117827);(533.083345,0.110965);(533.422921,0.203523);(534.250011,0.4945);(534.666678,0.291032);(535.231191,0.626565);(536.131708,3.02595);(537.000011,0.356564);(537.333345,0.89471);(538.335247,0.295536);(539.283876,0.301823);(540.298867,0.448972);(541.267252,0.586648);(542.338743,1.871707);(543.332363,1.385312);(544.204955,0.176691);(545.333345,0.214711);(546.254164,1.180296);(546.833345,0.134495);(547.222854,0.358319);(550.324681,0.160294);(550.750012,0.102105);(551.250012,0.141924);(551.833345,0.139848);(552.404343,0.870469);(553.083345,0.896215);(553.333345,1.274355);(554.279352,13.098719);(555.242625,20.219158);(556.24418,0.560447);(556.583345,0.271743);(556.833345,0.266225);(557.488137,3.576621);(558.31898,0.402077);(558.833345,0.648758);(559.166679,0.294066);(559.166679,0.294066);(561.083345,0.124823);(561.525974,0.191159);(562.916679,0.123094);(563.500012,0.104677);(564.333346,0.103419);(565.247652,0.172351);(567.30655,0.152242);(568.256942,1.711908);(569.319191,2.35391);(570.324908,5.783864);(571.290361,2.271772);(571.833346,0.268631);(572.166679,0.132275);(572.500012,0.138642);(573.084854,0.160035);(573.416679,0.179714);(575.416679,0.138481);(575.666679,0.193707);(576.333346,0.135596);(576.500013,0.125441);(577.347744,0.433855);(577.583346,0.243455);(578.361676,0.549005);(579.335184,3.152093);(580.524123,0.14724);(581.250013,0.128943);(581.583346,0.119834);(582.319555,3.052532);(583.306369,13.583717);(584.251623,3.195605);(584.666679,1.640921);(585.333346,0.922738);(586.252014,0.44439);(586.500013,0.254175);(587.37902,0.27547);(589.368429,0.153976);(592.371922,0.318826);(592.833346,0.262766);(593.441636,0.300345);(596.411361,3.300191);(597.309162,4.107088);(598.000013,0.245478);(598.330926,0.560958);(598.833347,0.116618);(599.430083,0.309181);(599.833347,0.282015);(605.391607,0.336765);(605.833347,0.42963);(606.583347,0.127931);(614.397942,8.638915);(615.256403,0.167462)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(182.066586,0.314755);(199.052214,0.246845);(202.078573,0.14708);(215.050791,0.133956);(227.148503,0.536626);(229.195886,0.143421);(233.166669,0.214873);(240.959558,0.139402);(242.037884,0.169455);(243.078282,0.19749);(244.146786,0.142705);(255.16667,0.235517);(256.16667,0.253934);(256.261624,0.253934);(257.242266,0.229612);(258.191523,0.137027);(259.117543,0.352571);(260.144807,0.223524);(261.083336,0.173471);(271.124543,0.234987);(272.000003,0.142292);(273.123706,1.45153);(274.107463,1.229507);(277.06357,0.221488);(283.303025,0.414357);(284.264931,0.382313);(287.18925,1.036297);(288.177832,0.253687);(293.166671,0.180051);(295.240431,0.521094);(303.166671,0.135002);(305.221726,1.388514);(306.204656,1.311066);(307.218286,1.959224);(308.239573,0.754271);(309.000005,0.431024);(309.333338,0.71216);(311.339157,0.794598);(312.378187,0.276923);(313.122453,0.204135);(319.214735,0.149578);(320.833338,0.16204);(321.177396,0.464773);(327.115977,0.322345);(329.166672,0.175987);(330.280964,0.173648);(331.190409,4.456743);(332.206853,0.5835);(333.224832,0.340083);(335.250005,0.161362);(335.583339,0.149845);(341.096495,0.159334);(343.250006,0.149675);(345.189277,0.203914);(347.163791,0.152232);(349.210993,1.474792);(350.226979,0.369883);(351.279524,0.209462);(353.246926,0.231133);(357.000006,0.131744);(358.176939,0.296168);(359.083339,0.221434);(359.333339,0.328473);(361.219417,0.244026);(363.18205,0.307348);(364.211413,0.167176);(365.176624,1.151679);(366.146744,0.376301);(367.250006,0.170237);(369.254589,0.15005);(371.185244,0.262317);(373.250007,0.138287);(375.250007,0.496486);(376.26628,0.260666);(377.192401,0.320614);(379.08334,0.136077);(389.08334,0.145648);(389.33334,0.24264);(390.255213,0.150803);(391.234675,0.491738);(393.214504,0.587057);(394.240266,0.281905);(395.124294,0.228313);(397.235234,0.313965);(398.254254,0.149199);(399.166674,0.131098);(403.238412,0.295667);(404.166674,0.264244);(404.750007,0.198157);(405.236553,0.353454);(406.083341,0.220435);(406.333341,0.237109);(407.189609,0.168963);(409.211388,1.601635);(410.213527,0.169074);(413.166674,0.228181);(413.833341,0.175689);(414.342185,0.20083);(415.23561,0.878994);(416.250008,0.190101);(419.27162,0.455685);(420.395753,0.214528);(421.000008,0.141184);(421.333341,0.287001);(422.083341,0.149332);(423.138117,0.169076);(424.916675,0.261481);(425.166675,0.211551);(428.333341,0.158716);(429.247381,0.417448);(429.750008,0.145103);(430.319029,0.244292);(431.281241,4.331819);(432.289414,0.893064);(433.27138,0.292118);(434.204002,0.49192);(434.750008,0.328272);(435.083342,0.485966);(436.30374,0.151924);(437.173353,0.758074);(438.210364,0.344001);(439.234158,0.261734);(442.000009,0.237125);(442.333342,0.402458);(443.339837,11.793073);(444.328647,2.019841);(445.328103,0.708435);(446.083342,0.274485);(446.500009,0.173859);(447.583342,0.208912);(449.189664,0.144681);(453.185017,0.520758);(454.182133,0.211226);(455.083342,0.300475);(455.333342,0.281948);(456.500009,0.278622);(457.335879,0.283558);(458.833342,0.215953);(459.277479,0.572312);(460.166676,0.922637);(460.756624,4.921233);(461.166676,1.866047);(461.833342,0.774475);(462.166676,0.173147);(463.166676,0.17745);(463.416676,0.172163);(464.250009,0.537296);(464.287016,0.537296);(464.916676,0.253664);(465.250009,0.499269);(466.158503,0.16588);(467.000009,0.146111);(467.250009,0.161966);(468.750009,0.18698);(469.083343,0.188499);(469.333343,0.219575);(470.369452,0.41174);(471.251654,0.252953);(472.500009,0.166351);(472.833343,0.203291);(473.000009,0.201444);(473.000009,0.201444);(473.500009,0.20151);(474.441627,0.162172);(475.166676,0.132601);(475.416676,0.196716);(476.281464,0.180759);(477.285583,0.298451);(478.25001,0.257384);(478.50001,0.451663);(479.265219,0.655664);(480.416676,0.222236);(480.833343,0.195633);(481.278586,0.901874);(482.35227,0.639873);(483.255441,0.334009);(484.25903,0.241493);(485.13193,0.366599);(486.253173,0.227024);(487.242613,0.341479);(490.302868,0.344931);(491.303974,0.264197);(493.428878,0.175755);(493.916677,0.233114);(494.250852,0.609864);(495.208613,1.982313);(496.166677,0.251489);(496.186444,0.251489);(496.666677,0.156401);(497.00001,0.30722);(497.25001,0.509695);(498.256979,1.234661);(499.271528,1.008192);(501.365625,0.238016);(502.083344,0.135551);(502.333344,0.242333);(502.666677,0.149213);(502.833344,0.165246);(503.374376,1.237684);(508.279315,0.383631);(508.666677,0.162021);(509.166677,0.405336);(509.416677,0.428653);(510.349154,0.152333);(511.302033,0.320948);(512.404238,0.180307);(513.337911,0.780136);(514.250011,0.308869);(515.166677,0.131854);(515.500011,0.18931);(516.089326,0.131597);(516.333344,0.138629);(521.30806,0.148282);(522.304429,0.240318);(522.770056,0.235221);(523.429022,0.144998);(524.297694,0.462722);(524.666678,0.377242);(525.279734,0.708883);(526.288643,0.79046);(527.350592,1.00117);(528.250011,0.937065);(528.500011,0.689522);(528.916678,0.803657);(529.250011,0.461258);(533.166678,0.185007);(533.416678,0.166831);(534.400191,0.313354);(535.18932,0.674773);(536.159867,4.530526);(537.202845,0.667244);(538.354521,0.346865);(539.258792,0.473057);(539.666678,0.174923);(540.324106,0.518906);(541.35118,0.89849);(542.278607,1.82639);(543.283526,1.311423);(544.333345,0.183467);(544.583345,0.184217);(546.276233,0.864216);(547.193442,0.293106);(549.333345,0.162865);(550.250012,0.140723);(551.333345,0.169731);(552.334621,0.888792);(553.326745,1.089406);(554.294991,8.824414);(555.232709,26.077495);(556.083345,0.564072);(556.333345,0.586204);(557.469856,3.081057);(558.083345,0.269127);(558.416679,0.313412);(558.750012,0.176088);(559.250012,0.297915);(566.500012,0.14568);(567.333346,0.16625);(568.325325,1.827936);(569.296289,2.054607);(570.301273,6.728707);(571.292838,4.59967);(572.250012,0.154119);(573.166679,0.181279);(575.000013,0.130814);(575.351391,0.222428);(575.865477,0.203973);(576.166679,0.131266);(577.250013,0.252753);(577.500013,0.211973);(577.500013,0.211973);(577.833346,0.175706);(578.416679,0.470641);(579.339315,2.724033);(581.16819,0.240517);(582.284115,2.986896);(583.296832,15.968012);(584.250013,1.990473);(584.750013,1.634217);(585.250013,1.335452);(586.315862,0.49238);(587.250013,0.383881);(587.66668,0.132282);(592.284658,0.369558);(592.706988,0.242109);(593.428365,0.238363);(596.397299,3.02503);(597.337363,4.836324);(598.250013,0.294352);(598.500013,0.189662);(599.250013,0.132961);(605.333347,0.292234);(605.500013,0.329547);(605.750013,0.292621);(606.16668,0.189436);(614.397506,8.903689)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(199.105353,0.538804);(200.172682,0.338492);(215.123319,0.370603);(227.165594,1.228338);(229.117458,0.488208);(241.083728,0.290999);(243.144117,0.667871);(244.200828,0.358591);(255.176045,0.582585);(256.264282,0.853715);(257.222242,0.414162);(259.129488,0.506229);(260.083336,0.330417);(261.105037,0.774915);(271.166305,0.638876);(272.16667,0.335085);(273.117484,3.570726);(274.140533,2.960646);(275.16667,0.370677);(277.084976,0.399049);(283.265739,0.996648);(284.281737,0.740804);(285.265675,0.466435);(287.158665,2.27762);(288.144529,0.444781);(289.181729,0.387052);(295.233285,0.66404);(303.161652,0.456427);(305.209947,2.773136);(306.183914,0.970432);(307.289831,2.282929);(308.31517,0.637944);(309.203443,0.61666);(311.33883,1.701903);(312.29641,0.595409);(313.237983,0.546463);(315.164117,0.398649);(317.127781,0.302907);(319.145369,0.354052);(321.192659,0.809775);(327.17787,0.471375);(329.260561,0.281372);(330.166672,0.304547);(330.289796,0.353611);(331.19706,12.901953);(332.234273,2.053837);(333.189824,0.730503);(335.242311,0.346056);(345.123295,0.320254);(347.215769,0.5064);(348.166672,0.302194);(349.209478,4.183407);(350.213162,1.003796);(358.166673,0.485797);(358.241223,0.485797);(359.2285,0.616204);(361.227322,0.37429);(362.219317,0.269184);(363.181884,0.683648);(365.185856,2.139135);(366.217731,0.526203);(367.08334,0.372513);(369.302104,0.301141);(371.192155,0.53118);(372.276639,0.357765);(375.216207,1.063803);(376.271561,0.78852);(377.216144,0.851251);(379.173036,0.279152);(387.220628,0.30366);(389.212674,0.503523);(390.166674,0.337049);(390.416674,0.344143);(391.249915,0.828535);(393.268873,1.521247);(394.210203,0.606696);(395.245008,0.269407);(396.340058,0.302881);(397.3052,0.479452);(399.250007,0.334314);(403.237163,0.629562);(404.287965,0.480315);(405.166674,0.582452);(406.170337,0.333764);(407.250603,0.392716);(409.225161,4.460132);(410.230075,0.343829);(411.15951,0.342135);(413.164661,0.729421);(414.322566,0.278827);(415.250814,1.587315);(417.25499,0.296273);(419.259802,0.681592);(420.309239,0.682833);(421.237034,0.813816);(423.254876,0.316088);(426.333341,0.269609);(427.309161,0.334051);(429.166675,0.575725);(429.253478,0.575725);(430.333342,0.309806);(431.283614,6.558391);(432.269387,0.906461);(433.236842,0.490281);(434.244147,0.654287);(435.209193,1.165536);(437.248041,1.75338);(438.287212,0.714741);(439.27056,0.487895);(441.280818,0.387865);(442.222488,0.748557);(443.332377,18.023339);(444.343464,2.753178);(445.320032,1.297307);(446.303227,0.544757);(447.302421,0.464886);(449.319434,0.376383);(451.230145,0.381107);(452.276938,0.277596);(453.240987,1.613211);(454.297376,0.605279);(454.833342,0.31494);(455.166676,0.750299);(456.331097,0.548769);(457.302423,0.58999);(458.412494,0.357551);(459.335746,1.068239);(460.724707,4.505492);(461.333342,2.214756);(463.28964,0.492561);(464.313822,1.066727);(465.246503,0.904716);(466.250009,0.289087);(467.166676,0.423238);(467.416676,0.451684);(468.250009,0.292239);(468.500009,0.27413);(469.263875,0.45509);(471.245658,0.322397);(472.333343,0.421802);(472.833343,0.34231);(473.311298,0.623626);(475.250777,0.506931);(477.250412,0.449823);(478.29462,0.506854);(479.261182,1.703935);(480.333343,0.451726);(481.288727,1.354899);(482.315544,1.798589);(483.300094,1.104812);(484.215946,0.589296);(485.258356,0.718615);(486.416677,0.291921);(487.365329,0.59447);(490.259711,0.409143);(491.249469,0.334183);(493.323006,0.584578);(494.262302,1.352887);(495.207119,4.152758);(496.283313,0.564178);(497.250811,1.17953);(498.280297,2.776891);(499.279479,2.579141);(500.323369,0.395857);(501.335865,0.420323);(502.330066,0.404047);(503.357646,2.641467);(507.40223,0.329748);(508.320598,0.908051);(509.250011,0.734557);(509.279096,0.734557);(510.377349,0.305808);(511.294163,0.610651);(512.313043,0.613365);(513.287344,1.362389);(514.2547,0.323631);(515.239135,0.401009);(521.26706,0.300573);(523.083344,0.440276);(523.416678,0.530374);(524.245687,0.997296);(524.666678,0.716365);(525.304918,1.502086);(526.296826,2.267378);(527.332306,2.623405);(528.303944,1.883937);(528.833344,1.428968);(529.333344,0.802824);(530.292668,0.383433);(533.364423,0.38828);(534.297873,0.740436);(535.28144,0.76498);(536.13549,1.831845);(537.083345,0.53555);(537.083345,0.53555);(538.339416,0.703043);(539.265425,1.063867);(540.312409,1.207523);(541.295814,2.031904);(542.311494,4.563047);(543.323341,3.577271);(544.250012,0.360848);(546.254534,1.729743);(547.254301,0.626791);(551.289112,0.576931);(552.315974,1.402327);(553.291261,3.222314);(554.288401,18.096795);(555.230884,52.036244);(556.271241,1.084286);(557.475844,8.92955);(558.342705,0.861653);(558.750012,0.39927);(559.416679,0.830752);(567.290047,0.539855);(568.293667,4.050785);(569.267976,6.637467);(570.30729,16.507338);(571.304308,11.459871);(572.333346,0.352105);(573.333346,0.295909);(575.927196,0.264663);(577.351685,0.705683);(578.416679,0.965909);(579.346577,6.159702);(581.269818,0.426064);(582.316565,7.70438);(583.292254,46.291909);(584.284063,5.190976);(584.833346,3.404474);(585.250013,2.77695);(585.91668,0.278863);(586.431907,0.622713);(587.342706,1.026366);(592.16668,0.387767);(592.583346,0.526549);(592.833346,0.558268);(593.16668,0.520298);(593.333346,0.649582);(596.405226,6.94217);(597.322046,11.542053);(598.316456,0.88484);(598.833347,0.267356);(599.410214,0.338139);(605.500013,0.491363);(606.000013,0.62332);(606.41668,0.51487);(614.375873,18.33839);(615.250014,0.271871)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(199.077333,0.50142);(200.122985,0.287755);(201.094541,0.23309);(213.115493,0.322391);(215.10897,0.257076);(221.073819,0.245741);(227.178401,1.406727);(228.148088,0.228096);(229.147831,0.360216);(241.127715,0.362203);(242.083336,0.233909);(243.126145,0.619541);(244.142347,0.363397);(245.145187,0.276912);(255.151104,0.484779);(256.245689,0.663755);(257.165388,0.476444);(259.130971,0.628212);(260.111458,0.269582);(261.081992,0.499312);(265.087122,0.257179);(271.135222,0.777539);(272.171139,0.298158);(273.123705,3.915323);(274.134275,2.829209);(277.096576,0.332925);(283.274439,1.171723);(284.281344,0.735506);(285.223364,0.44065);(287.153563,2.207141);(288.194774,0.496598);(290.246744,0.225064);(295.19066,0.55956);(296.199599,0.224979);(301.176542,0.259151);(303.186835,0.419688);(305.218203,2.384989);(306.21491,0.789299);(307.251903,1.685296);(308.264236,0.587915);(309.150991,0.589168);(311.317313,1.504422);(312.377573,0.633186);(313.000005,0.267965);(313.333338,0.349705);(315.133689,0.570986);(317.172618,0.230433);(319.234116,0.318746);(321.182506,0.693513);(323.059229,0.269272);(327.151591,0.357826);(329.129835,0.281177);(330.281129,0.284443);(331.208976,11.439901);(332.230963,1.71541);(333.214149,0.715828);(335.197475,0.29182);(344.24777,0.225013);(345.237903,0.31383);(347.209038,0.572594);(348.136961,0.245068);(349.213018,3.171228);(350.225132,0.662279);(351.199582,0.340063);(353.158183,0.302793);(355.185017,0.255976);(358.229742,0.346631);(359.194508,0.666873);(361.19736,0.332049);(362.166673,0.266348);(363.161983,0.501005);(365.196034,1.829626);(366.227269,0.503929);(367.217716,0.316087);(369.248029,0.264402);(371.224769,0.543893);(372.250619,0.293902);(373.247665,0.269895);(374.181818,0.254007);(375.234992,0.743165);(376.244403,0.446514);(377.2119,0.753224);(387.201327,0.307696);(389.166674,0.283821);(389.416674,0.23483);(390.317123,0.449104);(391.229547,0.547809);(392.218786,0.275813);(393.210204,1.299629);(394.228716,0.446996);(395.238884,0.340855);(397.25073,0.425636);(403.233164,0.423348);(404.228078,0.595686);(405.230488,0.370738);(406.262342,0.329596);(407.195522,0.415625);(409.222669,3.782754);(410.245753,0.37933);(411.23111,0.367438);(413.184769,0.610218);(415.249285,1.638958);(419.255158,0.549419);(420.259469,0.736605);(421.236188,0.759141);(423.257808,0.343754);(425.229137,0.33127);(426.292258,0.259768);(427.333341,0.237719);(428.31002,0.275834);(429.242069,0.344393);(430.166675,0.285974);(431.285288,4.713031);(432.310029,0.856341);(433.252269,0.453191);(434.333342,0.539888);(434.666675,0.480941);(435.177334,0.96131);(436.333342,0.244409);(437.239293,1.435342);(438.307855,0.767085);(439.294769,0.401053);(441.288428,0.434718);(442.172852,0.889922);(443.337266,15.223273);(444.337753,2.32633);(445.273028,0.837828);(446.233996,0.616588);(447.278864,0.411116);(449.235949,0.249991);(451.221382,0.403056);(453.260466,1.783893);(454.333342,0.400168);(455.198124,0.629435);(456.358782,0.545091);(457.250009,0.584278);(457.500009,0.364923);(458.37913,0.277429);(459.333342,0.72052);(459.916676,0.535087);(460.746908,4.430632);(461.166676,2.108294);(461.833342,0.521295);(462.333342,0.270699);(463.262431,0.444234);(464.166676,1.0842);(464.416676,0.788719);(465.228833,0.835131);(467.279093,0.555675);(468.345517,0.369404);(469.278353,0.309218);(471.268922,0.422223);(472.166676,0.331786);(472.500009,0.268303);(472.916676,0.490096);(473.250009,0.615256);(475.239217,0.366131);(478.369998,0.454355);(479.272347,1.321705);(480.25001,0.325332);(481.299716,1.205598);(482.315647,1.360368);(483.266866,0.842053);(484.235463,0.466756);(485.226472,0.482093);(486.381554,0.247087);(487.351145,0.659458);(489.25837,0.269519);(490.316168,0.332344);(491.233556,0.310658);(493.222702,0.425807);(494.305012,0.902522);(495.200677,3.813593);(496.244881,0.40002);(497.25801,1.247061);(498.274021,2.196173);(498.75001,0.506822);(499.300196,2.578967);(501.29968,0.351311);(502.166677,0.329102);(502.295512,0.374434);(503.3423,2.062238);(507.25001,0.246059);(508.359443,0.759089);(509.281855,1.043518);(510.315588,0.343936);(511.294145,0.501634);(512.282508,0.404532);(513.274484,1.410621);(514.250011,0.31425);(515.280095,0.387599);(523.267733,0.451669);(524.243317,0.955616);(524.666678,0.67949);(525.278723,1.206392);(526.299411,1.821408);(527.31907,2.197913);(528.333344,1.463156);(528.833344,1.241767);(529.333344,0.747299);(530.318118,0.243989);(533.314707,0.367351);(534.325851,0.694049);(535.276117,0.609835);(536.139573,2.131484);(537.199586,0.797928);(538.323403,0.846415);(539.29437,0.972685);(540.310256,1.260476);(541.314643,2.00903);(542.298688,4.035492);(543.300656,4.062975);(544.339941,0.411624);(546.252447,1.531348);(547.259577,0.714606);(550.363804,0.412436);(551.293555,0.390735);(552.360359,1.334976);(553.269096,2.511177);(554.2889,15.484107);(555.238326,44.219465);(556.319471,1.185134);(557.479512,7.873965);(558.333345,0.487367);(558.833345,0.26532);(559.299004,0.827665);(567.315919,0.442891);(568.305979,3.546599);(569.283072,6.331326);(570.295427,15.711623);(571.300711,11.841216);(572.250012,0.285815);(573.332816,0.312861);(575.250013,0.257053);(577.369012,0.722304);(578.406668,0.988813);(579.336273,4.460593);(581.333346,0.308927);(582.313819,6.474268);(583.288543,44.895527);(584.273657,5.197561);(584.750013,3.032847);(585.250013,2.556068);(586.366513,0.526398);(587.279894,0.717825);(592.323077,0.298187);(592.833346,0.321963);(593.320891,0.693891);(596.41372,6.139514);(597.308604,11.630354);(598.382903,0.591949);(598.833347,0.339707);(598.833347,0.339707);(599.41668,0.285394);(605.41668,0.409371);(605.833347,0.680795);(606.083347,0.478992);(606.333347,0.560205);(614.388416,14.644496);(615.364589,0.2944)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(121.981962,0.690458);(128.037633,0.554327);(137.009956,100.0);(153.046739,0.945735);(172.132816,0.969609);(184.136045,18.491406);(268.607726,7.675389);(269.083339,2.813725);(269.583339,1.29445);(277.382085,1.253069)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(132.995217,1.108833);(136.987768,0.608191);(157.075786,0.962713);(175.055992,0.50102);(177.031286,0.606747);(185.108537,0.88658);(199.114919,0.617685);(200.156286,0.83068);(201.078709,0.924302);(205.154436,1.232472);(212.231259,3.548831);(213.14294,1.184138);(214.102308,0.599991);(215.077784,0.561027);(217.021243,0.940906);(219.041375,0.91775);(227.125476,0.603575);(228.244181,1.792864);(230.212831,0.654596);(232.124847,2.202268);(235.092175,0.500357);(240.248401,0.833903);(256.263202,3.42378);(265.129851,1.640694);(268.329925,1.977695);(279.148865,0.581255);(283.22312,3.251261);(284.283295,4.873292);(287.146476,0.985173);(296.282956,0.57455);(297.301604,3.21116);(299.166673,0.699276);(299.666673,0.747372);(300.242177,0.981603);(307.255626,34.650472);(308.289167,12.672751);(310.341987,5.454096);(311.324446,3.22866);(312.338451,1.966545);(313.244835,0.618275);(323.20555,0.570232);(324.362221,100.0);(325.166674,16.588876);(326.166674,3.6849);(327.205929,2.873882);(328.178305,1.271124);(329.106668,1.946295);(330.239316,0.533796);(338.397677,0.860739);(340.292565,1.169433);(341.165604,2.981788);(342.189991,1.938267);(343.166674,0.808474);(346.257991,2.356934);(346.750008,1.769343);(347.166674,4.148703);(348.190068,0.825425);(349.235198,1.685388);(350.232093,1.916551);(353.216436,2.498233);(354.254753,3.664901);(355.19788,1.475254);(355.833341,0.616019);(356.174547,1.65363);(357.202222,0.790023);(358.214182,0.629146);(363.268156,0.508696);(367.272182,5.341239);(368.249817,13.691637);(369.166675,1.795814);(370.184615,5.594155);(371.188534,4.558966);(377.241525,0.521371);(385.208856,0.642322)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(211.071697,1.920596);(255.184493,1.363167);(323.165511,0.696992);(328.237414,1.03699);(328.750005,0.518859);(329.235029,2.274406);(330.188032,1.77895);(393.234121,0.515954);(397.224295,1.05787);(409.232178,0.955763);(419.254973,0.828264);(437.263677,0.964603);(450.263567,0.542361);(453.25062,0.785038);(457.271955,2.498887);(463.307455,2.824734);(464.309733,3.077782);(465.295807,8.387822);(466.233683,6.330588);(481.333343,1.954983);(481.833343,1.522608);(482.333343,3.402086);(482.798587,10.43906);(483.333343,3.453148);(491.349256,0.577573);(503.296089,0.647837);(507.326426,0.825132);(517.319267,13.896779);(521.315668,2.1221);(522.323421,0.752965);(523.316563,0.786244);(524.354013,1.503095);(525.288483,1.041252);(535.30857,0.747292);(547.306476,0.817098);(549.26976,1.287344);(551.333345,0.61043);(559.095564,1.599466);(563.306963,0.66411);(564.329142,0.597867);(565.319574,1.281722);(575.298028,1.160287);(576.333346,2.922686);(577.330629,100.0);(578.365957,0.596509);(579.310271,0.799404);(591.341163,5.166372);(592.347234,0.911621);(593.283713,3.827241);(601.283611,1.035536);(604.351561,1.905556);(605.361224,6.011772);(606.333346,1.30687);(606.750013,1.058813);(609.320053,0.950949);(618.41668,1.390116);(619.250519,5.713239);(621.420541,1.165038)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(211.070114,2.116658);(255.168008,1.343322);(323.157852,0.625469);(328.24107,0.739379);(329.215317,1.715504);(330.186061,2.073592);(397.232971,1.016721);(409.204293,0.846858);(419.260405,0.844797);(437.297041,0.916143);(453.271404,0.711407);(457.280614,2.814436);(463.318906,2.606659);(464.299481,2.306757);(465.283378,6.361821);(466.231528,6.490105);(477.233516,0.50773);(481.333343,1.625059);(481.833343,1.485725);(482.333343,3.028987);(482.806092,8.7827);(483.250009,3.961107);(491.320099,0.593674);(503.288783,0.686289);(507.353431,0.790477);(517.311247,14.46486);(521.306164,2.234095);(523.3251,0.626842);(524.345253,1.50734);(525.286962,1.044957);(535.303553,0.826834);(547.28909,0.674544);(549.296176,1.237149);(551.337513,0.539696);(559.104016,1.705126);(563.26186,0.577452);(565.305447,1.287619);(575.324541,1.000742);(576.416679,2.372782);(577.322955,100.0);(579.316967,0.89115);(591.335074,5.131684);(592.318522,0.811498);(593.286354,3.844889);(601.266272,0.93097);(604.355728,1.597919);(605.362327,5.354858);(606.250013,1.118311);(606.750013,1.113726);(607.250013,0.566309);(609.32302,0.859362);(618.41668,1.040112);(619.261348,5.564025);(621.369843,0.828713)
LC-MS/MS	Not Available	positive	Not Available	View 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71,0.035491);(1424.622314,0.05856);(1426.02002,0.033717);(1426.861938,0.042589);(1427.967285,0.05856);(1428.29834,0.01952);(1429.472046,0.05856);(1430.15686,0.051462);(1430.314941,0.055011);(1432.114624,0.03904);(1433.719482,0.05856);(1434.292236,0.024844);(1434.601318,0.044364);(1435.747437,0.055011);(1436.83374,0.053237);(1439.596313,0.014196);(1439.671875,0.026618);(1440.661377,0.055011);(1441.357544,0.053237);(1442.399536,0.023069);(1443.594116,0.026618);(1444.698364,0.049688);(1444.925415,0.05856);(1445.576172,0.021295);(1448.347168,0.05856);(1448.809326,0.031942);(1449.85498,0.05856);(1450.142944,0.055011);(1450.863159,0.053237);(1450.931396,0.03904);(1451.447021,0.05856);(1452.008179,0.037266);(1452.501221,0.035491);(1452.956299,0.031942);(1453.411621,0.024844);(1453.570923,0.05856);(1456.395264,0.044364);(1457.937622,0.035491);(1458.598877,0.049688);(1459.001831,0.051462);(1460.720459,0.055011);(1462.234741,0.026618);(1462.866455,0.05856);(1463.041626,0.05856);(1464.640747,0.051462);(1465.0979,0.035491);(1465.471191,0.055011);(1468.63501,0.037266);(1468.970581,0.056786);(1469.970093,0.015971);(1470.603638,0.044364);(1470.786743,0.05856);(1471.962524,0.049688);(1472.588867,0.037266);(1473.963989,0.056786);(1475.484985,0.047913);(1477.152222,0.040815);(1478.659546,0.049688);(1479.294922,0.03904);(1481.393188,0.05856);(1484.581787,0.049688);(1484.81189,0.042589);(1485.157104,0.056786);(1486.545776,0.055011);(1486.937134,0.055011);(1487.213501,0.049688);(1488.864258,0.033717);(1489.409546,0.056786);(1489.632324,0.030168);(1489.978027,0.040815);(1490.761841,0.056786);(1493.021973,0.056786);(1493.682129,0.051462);(1494.776001,0.056786);(1496.615845,0.046139);(1497.509155,0.051462);(1499.103882,0.035491);(1500.144531,0.056786);(1500.538574,0.056786);(1505.313965,0.042589)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(71.085388,0.030412);(71.100601,0.01247);(72.058235,0.018929);(73.151459,0.023056);(74.629143,0.025926);(74.928307,0.023594);(75.44944,0.018929);(76.107452,0.034359);(76.19371,0.013367);(76.536888,0.022607);(77.039505,0.043151);(77.09977,0.015251);(78.042778,0.022248);(79.014961,0.013277);(79.052979,0.314884);(79.574287,0.007625);(79.616852,0.008612);(79.709755,0.025298);(80.063156,0.00915);(80.220413,0.021531);(81.030945,0.025837);(81.068726,0.281691);(82.072975,0.016866);(83.086761,0.019288);(83.153404,0.017673);(84.075584,0.015699);(84.583733,0.014982);(85.028435,0.021441);(85.101112,0.058491);(87.631699,0.028977);(88.076401,0.070243);(90.546425,0.029156);(90.625534,0.018032);(91.054573,0.337132);(91.470184,0.022069);(92.055145,0.011304);(93.539459,0.019557);(93.93354,0.020275);(93.948547,0.01848);(94.041229,5.2722);(94.072342,0.017404);(94.184601,0.01848);(95.004227,0.020992);(95.045113,0.249664);(95.085587,0.142191);(95.230598,0.009689);(95.305893,0.023235);(95.843094,0.011932);(96.052612,0.020633);(96.381783,0.025568);(96.719864,0.010676);(97.063835,0.01543);(97.102127,0.017494);(98.028282,0.019377);(98.067665,0.012918);(98.881538,0.031488);(99.165733,0.011662);(100.247948,0.011393);(100.514252,0.012021);(101.779099,0.02171);(102.091118,0.065399);(103.472343,0.025298);(103.699562,0.011214);(104.003441,0.017852);(105.044823,0.364404);(105.15097,0.011483);(105.229286,0.00942);(106.046127,0.036961);(106.53669,0.017583);(106.869591,0.018122);(107.048988,0.393022);(107.085846,0.018032);(107.386436,0.041895);(107.528267,0.031847);(107.910248,0.016058);(108.040268,0.017224);(108.0588,0.016058);(108.503685,0.017314);(108.923592,0.027272);(109.064346,0.165785);(110.073135,0.043958);(111.0429,0.015968);(111.116318,0.05885);(112.447769,0.016955);(112.892067,0.026913);(113.438927,0.023325);(114.090454,0.049161);(114.358383,0.022966);(114.856361,0.014623);(115.566605,0.025837);(116.106155,0.029335);(117.120399,0.031488);(119.049057,0.03409);(120.782303,0.008792);(121.036705,0.035436);(121.101242,0.015699);(121.228767,0.026195);(121.537186,0.010855);(121.596741,0.013277);(121.673195,0.01552);(121.686363,0.022697);(121.818909,0.010676);(121.968407,0.017673);(122.035896,15.956996);(122.120522,0.009778);(122.141388,0.012021);(122.167503,0.027362);(122.233467,0.007625);(122.39563,0.014085);(122.559891,0.008164);(122.780029,0.018929);(123.011658,0.039204);(123.039734,1.097519);(123.197052,0.035256);(123.63871,0.029515);(123.866585,0.00915);(124.019165,0.00942);(124.042915,0.016058);(124.093376,0.007984);(124.746521,0.022338);(125.454208,0.019557);(125.579796,0.021172);(127.106422,0.009509);(128.107437,0.054365);(129.645889,0.019557);(130.121841,0.039921);(130.416,0.008971);(131.1194,0.010945);(131.890839,0.017494);(133.502258,0.0279);(134.483551,0.023414);(134.980133,0.01857);(135.044495,0.314166);(135.116882,0.057774);(136.048203,0.041446);(136.074982,0.011214);(136.118118,0.017135);(136.153793,0.010227);(136.220566,0.00915);(136.290619,0.02171);(136.318146,0.007805);(136.50058,0.024222);(136.532257,0.02485);(136.571442,0.017673);(136.654297,0.013905);(136.740753,0.038306);(136.76976,0.008702);(136.856186,0.047098);(136.913895,0.039473);(136.949432,0.045573);(136.981323,0.061452);(137.059769,100.0);(137.132751,0.413386);(137.171921,0.017404);(137.211243,0.016058);(137.259308,0.034359);(137.283508,0.029963);(137.303482,0.024222);(137.327103,0.014892);(137.379333,0.080919);(137.410873,0.030502);(137.440918,0.013187);(137.554718,0.008612);(137.584335,0.015879);(137.663895,0.026375);(137.779373,0.012201);(137.873917,0.009509);(137.917297,0.008881);(137.962204,0.00942);(138.063049,6.587357);(138.130859,0.011483);(138.145523,0.015879);(138.293091,0.019467);(138.35614,0.008612);(138.699219,0.014892);(138.827545,0.009778);(138.887939,0.008702);(138.939865,0.024491);(138.963623,0.034987);(138.996902,0.012918);(139.035263,0.010227);(139.064423,0.118777);(139.111511,0.028079);(139.139557,0.074011);(139.16571,0.05903);(139.186066,0.034539);(139.237503,0.010676);(139.286987,0.013277);(139.638702,0.007805);(139.963394,0.012649);(140.046265,0.008253);(142.122284,0.01561);(142.591217,0.015341);(143.851044,0.008702);(145.225418,0.018301);(145.394318,0.01561);(145.448624,0.008074);(145.935928,0.013905);(149.87883,0.009868);(153.128891,0.022159);(154.158249,0.038306);(155.143356,0.088006);(158.073532,0.008702);(170.957489,0.01857);(172.17009,1.886344);(172.260681,0.012739);(173.172958,0.149547);(184.171066,0.60429);(184.644302,0.013815);(185.172852,0.066924);(190.17865,0.029963);(206.561646,0.007805);(212.08432,0.020633);(213.190186,0.014713);(245.740173,0.014892);(308.229309,0.063694);(394.164459,0.0218);(526.082642,0.014713);(619.68042,0.006728);(992.316162,0.039652);(1049.946899,0.014802);(1082.465942,0.026644);(1176.439331,0.023235);(1204.23877,0.01543);(1207.204102,0.01866);(1209.374756,0.025657);(1234.68335,0.024222);(1253.684814,0.017942);(1275.226318,0.021441);(1289.833252,0.023684);(1302.515625,0.023325);(1304.557495,0.026016);(1314.039185,0.007536);(1383.749512,0.019108);(1385.804932,0.022697);(1427.293823,0.030771);(1438.172852,0.02467);(1488.494141,0.018839);(1498.633057,0.026554);(1499.606567,0.022786);(1513.664062,0.022069);(1524.585083,0.013726);(1537.33728,0.023056);(1545.435181,0.018839);(1558.388306,0.030143);(1567.732178,0.014982);(1589.174927,0.012649);(1598.6698,0.016955);(1610.300293,0.018032);(1612.858643,0.027272);(1626.268311,0.019467);(1629.095337,0.008881);(1630.009399,0.023145);(1640.658081,0.023056);(1643.321777,0.013546);(1673.153931,0.011573);(1680.296631,0.014533);(1709.222656,0.028259);(1750.353638,0.013277);(1754.550903,0.01875);(1776.275635,0.031399);(1782.010132,0.016507);(1790.809448,0.024401);(1811.34729,0.022069);(1816.490967,0.01857);(1816.784912,0.015161);(1827.591675,0.014354);(1836.833984,0.023594);(1859.682495,0.010406);(1865.120361,0.029963);(1874.346191,0.023235);(1882.910889,0.01247);(1939.977539,0.039383);(1942.058838,0.011842);(1976.923706,0.022517);(1980.748169,0.020544);(1982.108887,0.021082);(1984.707275,0.026465);(1986.043213,0.017135)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(43.055,1.46);(65.0401,1.73);(66.0483,5.02);(77.0396,2.58);(79.0551,2.67);(81.0694,1.58);(91.0546,2.62);(94.0423,28.32);(107.0496,1.38);(122.0364,43.56);(137.06,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(81.0702,1.06);(94.0421,1.67);(122.0367,2.93);(137.06,100.0);(172.1689,1.94)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(141.8552,1.82);(152.143,5.59);(170.1539,100.0);(170.1898,1.61);(170.6053,1.47)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(94.04295,3.79);(122.03628,9.28);(137.06081,100.0);(172.16988,2.04);(184.16626,1.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(122.0362,1.03);(137.0601,100.0);(172.1695,1.59);(184.1695,7.84);(308.2214,3.83)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.9946,1.02);(170.1489,100.0);(171.1506,1.2);(306.2015,3.55)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(122.01469,2.79);(170.15828,100.0);(170.7428,2.79)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.995,9.06);(170.1486,100.0);(171.1523,1.14)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.9949,100.0);(58.0249,5.9);(170.1483,15.86)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0511,1.43);(122.0352,57.46);(122.0655,1.49);(122.0864,1.78);(137.0588,100.0);(137.0932,2.67);(137.168,1.31)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(122.0332,1.02);(137.0591,100.0);(137.0915,4.44);(137.1196,1.66);(137.1388,1.02);(137.168,1.19);(155.1427,1.15);(172.1693,1.54);(184.1674,7.42)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(122.0349,3.64);(137.059,100.0);(137.0955,3.52);(137.1154,1.04);(137.1353,1.16);(137.1661,1.19);(172.1643,1.19)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(170.1544,100.0);(170.1958,2.94);(170.2126,1.06);(170.2751,1.53)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(170.1544,100.0);(170.192,2.67);(170.211,1.3);(170.2757,1.69);(306.2075,7.13)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(57.07042529,0.9695189006);(59.08607535,0.3159921929);(71.08607535,0.3948593115);(85.10172542,0.4265761946);(99.11737548,0.3542687106);(113.1330255,0.2819269644);(120.0449388,0.2751251484);(127.1486756,2.233080383);(137.0602545,15.27710888);(138.0555035,0.6307369228);(139.0759046,0.2670649961);(150.0555035,4.557234604);(152.0711536,36.11963083);(153.1279402,0.9488686867);(154.0868036,4.996871874);(155.1435902,0.9858920577);(157.1592403,0.562959474);(158.1181038,0.282053184);(160.1337538,0.2752539207);(172.1701393,0.4198147913);(180.0660682,0.6273863505);(208.0973683,0.2546662373);(222.1130184,0.2546662373);(250.1443185,0.6584962421);(264.1599686,0.7599239895);(266.1756186,1.232508145);(276.1963541,0.53376734);(278.2120041,0.2710978725);(290.2120041,3.854649442);(292.1912687,0.3089537006);(308.2225688,20.66904642)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,0.3914009632);(57.07042529,2.220728694);(59.08607535,0.3996288469);(69.07042529,0.6447684468);(71.08607535,0.8416477101);(83.08607535,0.5233707432);(85.10172542,0.830165567);(99.11737548,0.5876108785);(107.0496898,2.099554919);(108.0449388,0.6035270588);(113.1330255,0.4931472381);(120.0449388,2.075031105);(122.0605889,3.408163464);(125.0602545,1.744278126);(127.1486756,2.302490561);(129.1643257,0.4246730244);(137.0602545,15.91003216);(137.1330255,0.8705544185);(138.0555035,0.6578932381);(139.1486756,0.541947284);(150.0555035,0.7216265611);(152.0711536,52.45304701);(153.1279402,0.557962628);(154.0868036,1.642016366);(155.1435902,2.478200631);(157.1592403,0.7742435365);(159.1748904,0.4326909817);(180.0660682,0.3782590561);(250.1443185,0.4011160853);(290.2120041,1.046916176);(308.2225688,1.543306521)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03912516,1.498368728);(51.0234751,3.159830636);(52.01872406,0.8908321645);(54.03437413,0.8571208517);(55.05477522,0.9432820699);(57.03403978,0.8097110754);(57.07042529,3.993189223);(69.07042529,2.281384909);(71.08607535,2.05228978);(78.03437413,4.999791669);(79.01838972,1.085967831);(80.05002419,4.487109153);(81.03403978,1.521206935);(83.08607535,1.123895924);(85.10172542,1.221436947);(94.02928875,0.9114138929);(96.04493881,0.8765505533);(107.0496898,11.31528124);(111.0446045,1.111098288);(111.1173755,1.128619778);(113.1330255,0.8639824369);(120.0449388,4.506902078);(122.0605889,4.099069661);(125.0602545,1.594472458);(125.1330255,0.8050316619);(134.0605889,3.082625019);(136.0398534,4.350482737);(137.0602545,21.89450237);(138.0555035,1.516029012);(150.0555035,1.140333452);(152.0711536,9.878187462)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(31.01838972,0.2146760966);(41.99798862,0.620121754);(107.0133043,0.292418305);(111.1173755,0.2035121926);(113.1330255,0.24283731);(123.0446045,2.921572805);(125.0602545,0.1912774361);(127.1486756,1.2631079);(135.0446045,0.3016195725);(136.0398534,0.2724181742);(148.0398534,0.1820484588);(150.0555035,0.9546254544);(152.0711536,3.488023385);(152.1439246,1.484646481);(153.1279402,0.5986834097);(154.0868036,0.2388572767);(155.1435902,4.656053174);(157.1592403,1.898818677);(162.0555035,0.1771124741);(168.1388392,0.2116914246);(170.1544893,8.755693768);(178.0504181,0.8876762754);(180.0660682,0.5057390759);(192.0660682,0.2436009851);(194.0817182,0.7113771977);(250.180704,0.3685190215);(274.180704,0.3160418476);(276.1963541,0.1908930637);(288.1963541,5.822470211);(290.1756186,0.8475720768);(306.2069188,60.93629472)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(40.01872406,0.8442337455);(41.99798862,2.561832517);(44.01363868,0.6048809211);(107.0133043,2.732251869);(123.0446045,5.413948633);(127.1486756,3.93529918);(136.0398534,3.730647852);(148.0398534,0.9753030063);(150.0555035,1.703346857);(152.0711536,9.029125947);(152.1439246,2.855919681);(153.1279402,3.313978759);(154.0868036,0.8118920605);(155.1435902,3.915516917);(157.1592403,0.689351844);(168.1388392,1.445428918);(170.1544893,10.7136519);(178.0504181,3.338526419);(178.1595746,0.761459724);(180.0660682,0.8508856306);(192.0660682,0.7467032655);(194.0817182,1.711447153);(196.1701393,2.701877494);(232.1701393,0.6149664762);(258.1857894,0.6959864314);(264.1963541,0.8964816289);(274.180704,0.9303287466);(276.1963541,0.785454751);(288.1963541,6.829101748);(290.1756186,4.792010921);(306.2069188,19.068159)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,3.737371126);(41.99798862,26.62809529);(43.01838972,3.536431125);(44.01363868,2.685886402);(52.01872406,1.420011122);(58.02928875,4.04561215);(97.0289544,1.108339095);(106.0292887,1.131113289);(107.0133043,3.191463139);(108.0449388,1.221193958);(109.0289544,0.9577624753);(111.1173755,2.283152588);(120.0449388,2.01410132);(123.0446045,2.842411201);(125.1330255,1.475442844);(127.1486756,3.359624934);(134.0242034,1.55217994);(136.0398534,7.327528514);(148.0398534,1.509354804);(150.0555035,2.408890359);(152.0711536,1.198049218);(152.1439246,3.571731435);(153.1279402,1.926534669);(154.1231891,2.507814937);(155.1435902,1.915515234);(162.0555035,1.075139004);(164.0347681,1.670586272);(168.1388392,0.9564754429);(170.1544893,6.746177351);(178.0504181,2.930676149);(234.1857894,1.065334613)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(41.99854,14.71);(152.14447,9.13);(170.15504,100.0);(306.20747,9.04);(306.20747,9.04);(306.20747,9.04);(306.20747,9.04);(306.20747,9.04);(306.20747,9.04);(306.20747,9.04)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(41.99854,99.61);(44.01419,11.44);(58.02984,55.29);(72.04549,5.78);(86.06114,12.46);(100.07679,5.63);(125.13357,17.75);(127.14922,23.09);(128.10809,5.56);(152.14447,27.69);(153.12849,16.6);(154.12374,6.56);(170.15504,100.0);(290.17617,9.12);(290.17617,9.12);(290.17617,9.12);(290.17617,9.12);(304.19182,26.13);(304.19182,26.13);(306.20747,5.45);(306.20747,5.45);(306.20747,5.45);(306.20747,5.45);(306.20747,5.45);(306.20747,5.45);(306.20747,5.45)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.99854,84.93);(44.01419,7.99);(58.02984,25.3);(72.04549,4.12);(93.03459,3.89);(93.03459,3.89);(100.07679,5.2);(107.01385,8.98);(114.09244,3.37);(121.0295,3.74);(123.04515,6.59);(123.04515,6.59);(135.11792,6.95);(136.0404,13.38);(138.05605,4.82);(150.05605,12.81);(152.0717,10.16);(152.0717,10.16);(152.0717,10.16);(153.12849,9.14);(155.14414,7.34);(176.03532,3.44);(178.05097,3.14);(178.05097,3.14);(192.06662,3.61);(192.06662,3.61);(192.06662,3.61);(196.17069,3.57);(220.17069,6.05);(220.17069,6.05);(232.17069,4.78);(234.11357,3.39);(234.11357,3.39);(234.18634,7.14);(234.18634,7.14);(250.18125,7.25);(250.18125,7.25);(260.1656,3.47);(260.1656,3.47);(274.18125,3.08);(274.18125,3.08);(278.21255,5.07);(278.21255,5.07);(304.19182,100.0);(304.19182,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(105.03349,10.29);(105.03349,10.29);(107.04914,8.11);(107.04914,8.11);(109.06479,19.52);(109.06479,19.52);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(155.14304,3.97);(184.16959,6.59);(276.19581,5.44);(276.19581,5.44);(276.19581,5.44);(308.22202,50.0);(308.22202,50.0);(308.22202,50.0);(308.22202,50.0);(308.22202,50.0);(308.22202,50.0);(308.22202,50.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(55.05423,10.32);(57.03349,4.46);(57.03349,4.46);(57.06988,16.13);(57.06988,16.13);(65.03858,3.54);(67.05423,4.42);(69.06988,4.55);(69.06988,4.55);(71.08553,6.69);(71.08553,6.69);(81.06988,4.45);(81.06988,4.45);(83.04914,3.91);(83.04914,3.91);(83.08553,6.58);(83.08553,6.58);(85.06479,3.57);(85.06479,3.57);(85.10118,12.78);(85.10118,12.78);(95.08553,6.38);(97.06479,11.57);(97.06479,11.57);(97.10118,4.37);(99.08044,12.68);(105.03349,47.18);(105.03349,47.18);(107.04914,6.79);(107.04914,6.79);(109.06479,27.68);(109.06479,27.68);(109.10118,18.01);(111.08044,9.25);(111.08044,9.25);(111.08044,9.25);(111.11683,3.27);(111.11683,3.27);(113.09609,7.27);(122.06004,4.06);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.13248,4.98);(154.08626,7.79);(154.08626,7.79);(154.08626,7.79);(154.08626,7.79);(154.08626,7.79);(154.08626,7.79);(154.08626,7.79);(155.14304,9.29);(276.19581,3.85);(276.19581,3.85);(276.19581,3.85);(308.22202,9.5);(308.22202,9.5);(308.22202,9.5);(308.22202,9.5);(308.22202,9.5);(308.22202,9.5);(308.22202,9.5)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.05423,4.72);(51.02293,4.88);(53.03858,4.68);(55.05423,10.53);(57.06988,9.79);(57.06988,9.79);(59.04914,5.88);(59.04914,5.88);(65.03858,11.18);(67.05423,6.93);(69.06988,7.83);(69.06988,7.83);(71.08553,5.37);(71.08553,5.37);(81.03349,5.44);(81.03349,5.44);(81.06988,11.6);(81.06988,11.6);(82.06513,6.25);(83.04914,5.49);(83.04914,5.49);(83.08553,4.57);(83.08553,4.57);(85.10118,7.76);(85.10118,7.76);(93.03349,13.66);(95.04914,7.98);(95.04914,7.98);(105.03349,23.25);(105.03349,23.25);(107.04914,17.22);(107.04914,17.22);(109.06479,29.05);(109.06479,29.05);(109.10118,6.49);(121.06479,11.89);(123.04406,11.38);(123.04406,11.38);(124.07569,5.56);(124.07569,5.56);(124.07569,5.56);(135.04406,6.97);(135.04406,6.97);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(139.07536,6.77);(139.07536,6.77);(139.07536,6.77);(139.07536,6.77);(139.07536,6.77);(139.07536,6.77);(139.07536,6.77);(152.0706,10.29);(152.0706,10.29);(152.0706,10.29);(152.0706,10.29);(152.0706,10.29);(160.13321,5.62);(160.13321,5.62);(160.13321,5.62)

Food Sources

	Name	Group
	Bell pepper (Capsicum annuum, mild varieties)	Vegetables, Fruit vegetables	Publications	Show
	Hot chili (Capsicum annuum, C. frutescens)	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 Dihydrocapsaicin

Identification

Structure for Dihydrocapsaicin

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Classyfire Taxonomy

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism