PhytoHub: Showing entry for Herniarin

Herniarin

Identification

PhytoHub ID

PHUB000257

Name

Herniarin

Systematic Name

Not Available

Synonyms

7-Methoxy-2H-chromen-2-one

CAS Number

Not Available

Average Mass

176.171

Monoisotopic Mass

176.047344118

Chemical Formula

C₁₀H₈O₃

IUPAC Name

7-methoxy-2H-chromen-2-one

InChI Key

LIIALPBMIOVAHH-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3

SMILES

COC1=CC2=C(C=CC(=O)O2)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 4.99e-01 g/l
LogS (ALOGPS): -2.55
LogP (ALOGPS): 1.88
Hydrogen Acceptors: 2
Hydrogen Donors: 0
Rotatable Bond Count: 1
Polar Surface Area: 35.53
Refractivity: 48.01180000000001
Polarizability: 17.42684270138301
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -4.830651313921493
pKa (strongest acidic): Not Available
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: No

External Links

ChEBI: 5679
PubChem: 10748
Chemistry Dashboard: DTXSID5060196
KNApSAcK: C00002476
FooDB (Compounds): FDB000963
PeakForestCompound: 000228

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Coumarins and Furanocoumarins
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Coumarins and derivatives
Super-class: Phenylpropanoids and polyketides
Sub-class: Not Available
Direct Parent Name: Coumarins and derivatives
Alternative Parent Names: ["1-benzopyrans", "Alkyl aryl ethers", "Anisoles", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Lactones", "Organic oxides", "Oxacyclic compounds", "Pyranones and derivatives"]
External Descriptor Annotations: ["coumarins"]
Substituent Names: ["1-benzopyran", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Coumarin", "Ether", "Heteroaromatic compound", "Hydrocarbon derivative", "Lactone", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Pyran", "Pyranone"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	EI-B	positive	Not Available	View Spectrum	(18.0,7.0);(26.0,1.7);(27.0,7.8);(29.0,1.6);(31.0,1.0);(32.0,1.0);(37.0,1.2);(38.0,8.7);(39.0,10.3);(41.0,1.7);(42.0,1.0);(50.0,11.6);(51.0,36.4);(52.0,1.7);(53.0,2.9);(59.0,1.7);(61.0,3.7);(62.0,12.0);(63.0,22.7);(64.0,3.3);(65.0,1.2);(74.0,2.5);(75.0,2.1);(76.0,8.3);(77.0,25.6);(78.0,1.7);(79.0,2.9);(86.0,1.7);(87.0,2.1);(88.0,2.5);(89.0,10.7);(90.0,3.3);(91.0,5.4);(105.0,11.2);(118.0,1.7);(119.0,2.5);(120.0,3.3);(133.0,97.1);(134.0,7.4);(145.0,1.2);(147.0,1.7);(148.0,93.4);(149.0,9.9);(176.0,99.99);(177.0,9.5)
GC-MS	EI-B	positive	Not Available	View Spectrum	(38.0,2.6);(39.0,3.0);(44.5,1.9);(50.0,4.8);(51.0,13.7);(53.0,1.5);(62.0,4.2);(63.0,0.9);(64.0,1.7);(69.0,4.0);(74.0,3.7);(76.0,0.28);(77.0,14.8);(79.0,1.6);(88.0,1.5);(89.0,0.52);(90.0,2.6);(91.0,2.9);(105.0,7.7);(120.0,0.22);(133.0,57.4);(134.0,5.1);(148.0,53.2);(149.0,0.57);(176.0,99.99);(177.0,11.3);(178.0,1.3)
GC-MS	EI-B	positive	Not Available	View Spectrum	(18.0,7.0);(26.0,1.7);(27.0,7.8);(29.0,1.6);(31.0,1.0);(32.0,1.0);(37.0,1.2);(38.0,8.7);(39.0,10.3);(41.0,1.7);(42.0,1.0);(50.0,11.6);(51.0,36.4);(52.0,1.7);(53.0,2.9);(59.0,1.7);(61.0,3.7);(62.0,12.0);(63.0,22.7);(64.0,3.3);(65.0,1.2);(74.0,2.5);(75.0,2.1);(76.0,8.3);(77.0,25.6);(78.0,1.7);(79.0,2.9);(86.0,1.7);(87.0,2.1);(88.0,2.5);(89.0,10.7);(90.0,3.3);(91.0,5.4);(105.0,11.2);(118.0,1.7);(119.0,2.5);(120.0,3.3);(133.0,97.1);(134.0,7.4);(145.0,1.2);(147.0,1.7);(148.0,93.4);(149.0,9.9);(176.0,99.99);(177.0,9.5)
GC-MS	EI-B	positive	Not Available	View Spectrum	(38.0,2.6);(39.0,3.0);(44.5,1.9);(50.0,4.8);(51.0,13.7);(53.0,1.5);(62.0,4.2);(63.0,0.9);(64.0,1.7);(69.0,4.0);(74.0,3.7);(76.0,0.28);(77.0,14.8);(79.0,1.6);(88.0,1.5);(89.0,0.52);(90.0,2.6);(91.0,2.9);(105.0,7.7);(120.0,0.22);(133.0,57.4);(134.0,5.1);(148.0,53.2);(149.0,0.57);(176.0,99.99);(177.0,11.3);(178.0,1.3)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(41.00219012,2.488262015);(42.01001472,1.388958995);(54.01001472,1.8553996);(55.01783932,1.446961327);(104.0256639,1.685666393);(106.0413131,2.884880064);(107.0491377,1.506011223);(108.020578,1.760769798);(118.0049288,1.446095614);(118.0413131,1.895196452);(120.020578,3.731918301);(121.0284026,1.54460393);(122.0362272,4.025493036);(123.0440518,2.638571768);(124.0518764,1.352257402);(130.0413131,3.887666269);(131.0491377,2.44303133);(132.020578,2.318322071);(132.0569623,8.267418015);(133.0284026,1.954775331);(134.0362272,2.782151557);(135.0440518,1.555867771);(146.0362272,6.179274996);(147.0440518,8.35369866);(148.0154921,1.619206739);(148.0518764,10.83316226);(150.0311413,2.234735751);(158.0362272,1.36337202);(175.0389659,1.358099035);(176.0467905,11.84474379);(177.0501851,1.353428482)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(39.99436552,1.04246175);(41.00219012,2.078203726);(42.01001472,0.9245496892);(54.01001472,1.268916413);(65.03857442,1.319159955);(106.0413131,1.908787288);(107.0491377,1.083859173);(108.020578,1.060265825);(118.0049288,0.9171371301);(120.020578,2.297760859);(121.0284026,1.072276628);(122.0362272,4.005912292);(123.0440518,2.306783196);(124.0518764,1.782824033);(130.0413131,3.005914631);(131.0491377,1.725497692);(132.020578,1.501755318);(132.0569623,6.474591482);(133.0284026,1.259171392);(134.0362272,1.306185261);(135.0440518,1.312862228);(146.0362272,4.369722436);(147.0440518,2.132990708);(148.0154921,1.306020838);(148.0518764,6.201395519);(150.0311413,1.641906522);(158.0362272,1.609580371);(159.0440518,1.296596275);(175.0389659,1.417239642);(176.0467905,8.961543765);(177.0501851,1.023982349)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(118.036728,3769.0);(119.042526,276.0);(121.060349,49066.0);(122.063316,3010.0);(133.061279,6870.0);(134.032059,21615.0);(135.035385,1169.0);(149.055359,1338.0);(162.026855,8657.0);(163.029709,493.0);(177.051834,9887.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(95.671204,216.0);(96.29126,116.0);(96.410431,156.0);(96.692047,124.0);(96.981918,144.0);(97.96637,168.0);(98.597771,160.0);(99.999947,160.0);(100.073601,136.0);(100.360512,152.0);(100.577965,144.0);(101.035576,164.0);(101.751038,200.0);(102.046371,120.0);(102.74926,88.0);(103.053688,464.0);(104.056671,148.0);(104.070877,60.0);(104.148048,148.0);(105.03862,228.0);(105.078453,160.0);(105.302895,176.0);(105.50927,164.0);(105.953369,224.0);(106.042221,1492.0);(106.146027,52.0);(106.550369,88.0);(106.694229,124.0);(106.846413,80.0);(107.049545,156.0);(107.794861,112.0);(107.894073,104.0);(108.005737,256.0);(108.047112,196.0);(108.247879,228.0);(109.179634,108.0);(110.115379,132.0);(113.002045,204.0);(115.056747,156.0);(116.022858,152.0);(116.04731,148.0);(116.41423,172.0);(116.474365,48.0);(116.730118,152.0);(116.979691,204.0);(117.033455,284.0);(117.055046,140.0);(117.928764,152.0);(117.98497,244.0);(118.042274,856.0);(118.497887,40.0);(118.541222,200.0);(119.045876,212.0);(119.090096,156.0);(119.268257,52.0);(120.047676,196.0);(121.006897,168.0);(121.06617,7344.0);(121.120773,48.0);(121.210594,56.0);(121.388824,52.0);(121.431435,76.0);(121.900757,192.0);(122.069145,676.0);(122.115059,52.0);(122.181046,48.0);(122.621437,108.0);(122.855164,132.0);(122.916946,60.0);(123.04496,160.0);(123.066986,164.0);(123.612999,172.0);(124.022713,76.0);(126.91864,124.0);(128.499802,84.0);(128.949173,176.0);(129.050903,212.0);(129.857056,56.0);(131.011765,56.0);(131.048218,172.0);(131.700653,108.0);(133.026199,772.0);(133.063309,436.0);(133.084869,172.0);(133.1091,160.0);(133.136658,68.0);(133.387085,132.0);(133.732101,136.0);(133.81958,184.0);(133.914001,48.0);(134.036896,4524.0);(134.070389,336.0);(134.142105,84.0);(134.176682,72.0);(134.400406,60.0);(134.987122,88.0);(135.038422,532.0);(135.105072,156.0);(135.591324,88.0);(136.018082,132.0);(136.043625,136.0);(136.913223,48.0);(138.028656,188.0);(138.953827,184.0);(140.341492,60.0);(141.522858,60.0);(144.022263,180.0);(144.500366,68.0);(145.0224,108.0);(145.367737,64.0);(146.102951,164.0);(146.442368,48.0);(146.975128,168.0);(147.139252,20.0);(147.67569,92.0);(148.01207,176.0);(148.053787,140.0);(148.948196,64.0);(149.06192,380.0);(149.239822,44.0);(152.012222,224.0);(154.174362,60.0);(161.012421,148.0);(161.955795,132.0);(162.032379,1412.0);(162.069794,52.0);(163.037552,288.0);(164.424545,140.0);(166.919678,160.0);(176.048401,140.0);(177.055099,928.0);(177.867661,84.0);(177.965881,64.0);(178.058411,156.0);(178.16507,92.0);(178.651566,48.0);(191.235687,84.0);(202.989944,156.0);(205.250534,108.0);(217.533112,96.0);(255.019836,172.0);(258.608002,64.0);(258.732819,44.0);(291.594238,72.0);(385.397217,96.0);(470.061951,84.0);(479.533295,36.0);(504.295166,100.0);(796.267334,196.0);(915.758301,216.0);(949.808716,192.0);(979.70929,136.0);(1029.348999,216.0);(1066.294922,236.0);(1094.212891,132.0);(1099.466309,200.0);(1113.776855,20.0);(1122.398315,200.0);(1125.561157,164.0);(1138.390869,92.0);(1141.307007,176.0);(1144.994629,152.0);(1154.043457,104.0);(1161.451904,96.0);(1164.071533,84.0);(1169.115479,168.0);(1190.972534,212.0);(1191.941162,220.0);(1207.769653,172.0);(1225.673706,188.0);(1234.217041,252.0);(1235.07019,168.0);(1239.060181,64.0);(1241.464355,188.0);(1251.237915,124.0);(1252.470215,48.0);(1265.746948,132.0);(1269.842896,192.0);(1270.062744,236.0);(1270.275635,204.0);(1281.828491,172.0);(1287.0354,180.0);(1303.718262,172.0);(1307.263428,188.0);(1308.991089,180.0);(1328.592163,116.0);(1332.563232,72.0);(1333.224487,128.0);(1343.009155,176.0);(1343.403076,152.0);(1346.665771,168.0);(1364.736572,216.0);(1368.26062,96.0);(1378.914185,64.0);(1381.32959,208.0);(1381.388794,68.0);(1394.193115,180.0);(1417.290894,236.0);(1423.333374,180.0);(1424.933228,180.0);(1433.887451,204.0);(1435.003052,68.0);(1441.819092,192.0);(1442.416138,160.0);(1444.480469,240.0);(1456.783081,144.0);(1459.336548,84.0);(1461.078125,164.0);(1463.368896,244.0);(1463.924805,196.0);(1469.321045,132.0);(1470.900635,148.0);(1474.719604,140.0);(1482.341797,228.0);(1490.605957,28.0);(1491.005493,112.0)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(95.671204,2.941176);(96.29126,1.579521);(96.410431,2.124183);(96.692047,1.688453);(96.981918,1.960784);(97.96637,2.287582);(98.597771,2.178649);(99.999947,2.178649);(100.073601,1.851852);(100.360512,2.069717);(100.577965,1.960784);(101.035576,2.233115);(101.751038,2.723312);(102.046371,1.633987);(102.74926,1.198257);(103.053688,6.318083);(104.056671,2.015251);(104.070877,0.816993);(104.148048,2.015251);(105.03862,3.104575);(105.078453,2.178649);(105.302895,2.396514);(105.50927,2.233115);(105.953369,3.050109);(106.042221,20.315904);(106.146027,0.708061);(106.550369,1.198257);(106.694229,1.688453);(106.846413,1.089325);(107.049545,2.124183);(107.794861,1.525054);(107.894073,1.416122);(108.005737,3.485839);(108.047112,2.668845);(108.247879,3.104575);(109.179634,1.470588);(110.115379,1.797386);(113.002045,2.777778);(115.056747,2.124183);(116.022858,2.069717);(116.04731,2.015251);(116.41423,2.342048);(116.474365,0.653595);(116.730118,2.069717);(116.979691,2.777778);(117.033455,3.867102);(117.055046,1.906318);(117.928764,2.069717);(117.98497,3.32244);(118.042274,11.655773);(118.497887,0.544662);(118.541222,2.723312);(119.045876,2.88671);(119.090096,2.124183);(119.268257,0.708061);(120.047676,2.668845);(121.006897,2.287582);(121.06617,100.0);(121.120773,0.653595);(121.210594,0.762527);(121.388824,0.708061);(121.431435,1.034858);(121.900757,2.614379);(122.069145,9.204793);(122.115059,0.708061);(122.181046,0.653595);(122.621437,1.470588);(122.855164,1.797386);(122.916946,0.816993);(123.04496,2.178649);(123.066986,2.233115);(123.612999,2.342048);(124.022713,1.034858);(126.91864,1.688453);(128.499802,1.143791);(128.949173,2.396514);(129.050903,2.88671);(129.857056,0.762527);(131.011765,0.762527);(131.048218,2.342048);(131.700653,1.470588);(133.026199,10.511983);(133.063309,5.936819);(133.084869,2.342048);(133.1091,2.178649);(133.136658,0.925926);(133.387085,1.797386);(133.732101,1.851852);(133.81958,2.505447);(133.914001,0.653595);(134.036896,61.601307);(134.070389,4.575163);(134.142105,1.143791);(134.176682,0.980392);(134.400406,0.816993);(134.987122,1.198257);(135.038422,7.244009);(135.105072,2.124183);(135.591324,1.198257);(136.018082,1.797386);(136.043625,1.851852);(136.913223,0.653595);(138.028656,2.559913);(138.953827,2.505447);(140.341492,0.816993);(141.522858,0.816993);(144.022263,2.45098);(144.500366,0.925926);(145.0224,1.470588);(145.367737,0.87146);(146.102951,2.233115);(146.442368,0.653595);(146.975128,2.287582);(147.139252,0.272331);(147.67569,1.252723);(148.01207,2.396514);(148.053787,1.906318);(148.948196,0.87146);(149.06192,5.174292);(149.239822,0.599129);(152.012222,3.050109);(154.174362,0.816993);(161.012421,2.015251);(161.955795,1.797386);(162.032379,19.22658);(162.069794,0.708061);(163.037552,3.921569);(164.424545,1.906318);(166.919678,2.178649);(176.048401,1.906318);(177.055099,12.636166);(177.867661,1.143791);(177.965881,0.87146);(178.058411,2.124183);(178.16507,1.252723);(178.651566,0.653595);(191.235687,1.143791);(202.989944,2.124183);(205.250534,1.470588);(217.533112,1.30719);(255.019836,2.342048);(258.608002,0.87146);(258.732819,0.599129);(291.594238,0.980392);(385.397217,1.30719);(470.061951,1.143791);(479.533295,0.490196);(504.295166,1.361656);(796.267334,2.668845);(915.758301,2.941176);(949.808716,2.614379);(979.70929,1.851852);(1029.348999,2.941176);(1066.294922,3.213508);(1094.212891,1.797386);(1099.466309,2.723312);(1113.776855,0.272331);(1122.398315,2.723312);(1125.561157,2.233115);(1138.390869,1.252723);(1141.307007,2.396514);(1144.994629,2.069717);(1154.043457,1.416122);(1161.451904,1.30719);(1164.071533,1.143791);(1169.115479,2.287582);(1190.972534,2.88671);(1191.941162,2.995643);(1207.769653,2.342048);(1225.673706,2.559913);(1234.217041,3.431373);(1235.07019,2.287582);(1239.060181,0.87146);(1241.464355,2.559913);(1251.237915,1.688453);(1252.470215,0.653595);(1265.746948,1.797386);(1269.842896,2.614379);(1270.062744,3.213508);(1270.275635,2.777778);(1281.828491,2.342048);(1287.0354,2.45098);(1303.718262,2.342048);(1307.263428,2.559913);(1308.991089,2.45098);(1328.592163,1.579521);(1332.563232,0.980392);(1333.224487,1.742919);(1343.009155,2.396514);(1343.403076,2.069717);(1346.665771,2.287582);(1364.736572,2.941176);(1368.26062,1.30719);(1378.914185,0.87146);(1381.32959,2.832244);(1381.388794,0.925926);(1394.193115,2.45098);(1417.290894,3.213508);(1423.333374,2.45098);(1424.933228,2.45098);(1433.887451,2.777778);(1435.003052,0.925926);(1441.819092,2.614379);(1442.416138,2.178649);(1444.480469,3.267974);(1456.783081,1.960784);(1459.336548,1.143791);(1461.078125,2.233115);(1463.368896,3.32244);(1463.924805,2.668845);(1469.321045,1.797386);(1470.900635,2.015251);(1474.719604,1.906318);(1482.341797,3.104575);(1490.605957,0.381264);(1491.005493,1.525054)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(70.484955,1.887428);(77.039383,1.322885);(77.983208,2.030671);(78.045784,15.908325);(79.466263,0.766768);(79.589264,1.752612);(86.005302,5.342096);(87.499115,4.971352);(87.586388,1.727334);(89.037949,6.20155);(90.049576,6.277385);(91.055328,4.566903);(92.029129,1.440849);(94.508499,1.0364);(95.009605,9.942703);(95.050484,8.324907);(96.501617,1.752612);(97.009315,1.887428);(97.500938,2.055949);(102.951111,1.381867);(103.048012,2.620492);(104.014725,7.061004);(104.516548,1.541962);(105.04258,6.791372);(106.043816,16.481294);(108.493965,4.137176);(109.376282,2.300303);(117.333099,0.733064);(117.500778,1.710482);(118.003227,0.977418);(118.043327,11.459387);(118.955177,0.65723);(119.043076,1.272329);(120.588829,1.070104);(121.06488,100.0);(121.54689,1.289181);(121.572952,1.407145);(122.068413,7.55814);(129.040512,1.828446);(131.908951,0.682508);(133.065384,15.529154);(133.438492,1.154365);(133.83876,0.918436);(134.03656,27.789012);(135.043274,1.238625);(138.037079,1.407145);(144.414261,1.659926);(145.090927,1.103809);(148.054993,1.238625);(149.061844,7.237951);(162.031586,7.322211);(176.960968,0.766768);(177.055084,93.646781);(177.093811,1.592518);(177.176193,1.221773);(178.056717,3.867543);(178.147537,1.053252);(1388.718384,1.676778)
LC-MS/MS	ESI-QFT	negative	low	View Spectrum	(57.0331,0.2193542571);(59.0124,1.257530912);(61.9869,15.02426419);(63.9609,0.3996454274);(71.0124,0.2298712421);(72.9916,0.3665920462);(73.028,0.3004852837);(75.0073,0.3861235896);(78.9576,0.2779488875);(78.9844,0.405655133);(79.9559,2.211571688);(80.9637,3.369942457);(81.9517,0.434201235);(81.9631,0.1983202873);(82.9595,1.078742169);(83.0487,0.3004852837);(85.0644,0.1502426419);(87.0074,0.2073348458);(89.023,1.47237789);(89.9242,0.1953154344);(92.9824,0.1562523475);(94.9794,6.897639688);(95.9747,0.8248321038);(96.9586,0.2208566835);(99.9243,0.1787887438);(99.9356,0.4011478538);(101.0593,0.1697741853);(111.0801,4.173740591);(111.928,0.1742814646);(112.0835,0.7872714434);(113.0594,0.1682717589);(114.9228,0.5498880692);(115.0387,0.193813008);(115.9193,0.9284995267);(116.9271,0.5468832164);(117.0179,0.9059631305);(119.0488,0.4657521898);(121.0281,0.1562523475);(121.9903,0.3710993254);(127.1114,0.5649123334);(129.0543,0.2839585931);(129.0907,0.7376913716);(131.0699,0.157754774);(131.0812,1.326642528);(131.9255,1.920100963);(132.0203,2.615724395);(133.0234,0.1637644796);(136.8615,0.4942982917);(138.8587,0.2283688156);(141.8667,0.3155095479);(141.9463,0.1607596268);(141.9563,0.1832960231);(142.8898,0.2163494043);(142.9428,0.2734416082);(143.8886,0.1893057288);(143.8976,2.148469779);(144.8964,2.385853153);(145.0281,0.3635871933);(145.8978,1.248516354);(146.0236,0.3215192536);(146.8972,1.813428687);(147.0438,3.610330684);(148.0153,0.3590799141);(148.0471,0.2989828573);(150.0216,0.1893057288);(154.946,0.5363662315);(155.9456,1.98019802);(156.9429,1.280067309);(156.9502,0.2073348458);(157.8839,0.2479003591);(158.8847,0.7076428432);(158.8918,0.193813008);(159.8773,0.2133445515);(159.8837,0.5874487297);(159.8925,0.3831187368);(160.8849,0.1802911702);(160.8914,0.2373833741);(161.8843,0.3004852837);(172.957,0.2073348458);(173.0242,0.1547499211);(173.0807,1.547499211);(173.1172,0.7617301943);(173.9084,1.284574588);(173.9362,3.240733785);(173.9554,0.3951381481);(174.0184,0.527351673);(174.084,0.3891284424);(174.8272,0.6220045373);(174.8386,0.2298712421);(174.8597,1.808921408);(174.8793,0.1968178608);(174.9071,1.39274929);(174.9337,1.328144954);(174.9533,0.7406962244);(175.0388,2.02226596);(175.0592,0.2854610195);(175.0964,0.5619074806);(175.8787,0.2073348458);(175.8876,0.1968178608);(175.9084,0.7872714434);(175.9319,0.1607596268);(176.0102,0.4206793972);(176.034,0.4176745444);(176.0428,0.2058324194);(176.8576,0.9570456287);(176.9079,1.167385327);(176.9964,0.5183371144);(177.0183,0.2629246233);(177.0545,0.2103396986);(177.0909,0.2509052119);(194.916,0.1562523475)
LC-MS/MS	ESI-QFT	negative	low	View Spectrum	(57.0331,0.3961425396);(59.0124,1.464472646);(61.9869,17.92500179);(63.961,0.6237900624);(71.0124,0.279630028);(72.9916,0.4051050405);(73.028,0.5449200545);(75.0073,0.3728400373);(78.9576,0.310102531);(78.9844,0.5234100523);(79.9559,3.108195311);(80.9637,3.468487847);(81.9517,0.7582275758);(82.9595,1.089840109);(83.0488,0.6542625654);(85.0644,0.1953825195);(87.0073,0.2294400229);(89.023,1.665232667);(89.9242,0.1846275185);(92.9824,0.2025525203);(94.9794,8.105685811);(95.9747,0.9984225998);(96.9586,0.2276475228);(97.9298,0.1935900194);(99.9244,0.2366100237);(99.9357,0.5485050549);(104.0254,0.2473650247);(111.0801,3.556320356);(112.0835,0.6936975694);(114.9227,0.7026600703);(115.0387,0.1828350183);(115.9193,1.561267656);(116.9271,0.6614325661);(117.0179,0.7223775722);(119.0489,0.3925575393);(121.0281,0.1810425181);(121.9903,0.5216175522);(127.1114,0.5951100595);(129.0907,0.6686025669);(131.0812,1.278052628);(131.9255,3.319710332);(132.0202,4.336057934);(132.9334,0.1917975192);(133.0234,0.2724600272);(136.8615,0.5287875529);(138.8588,0.2634975263);(141.8668,0.2814225281);(142.8898,0.2581200258);(143.8887,0.2186850219);(143.8976,2.859037786);(144.8964,2.993475299);(145.0282,0.3226500323);(145.8977,1.624005162);(146.0235,0.4212375421);(146.8972,2.457517746);(147.0438,2.129490213);(148.0152,0.329820033);(154.946,0.6058650606);(155.9456,2.064960206);(156.943,1.358715136);(156.9503,0.2186850219);(157.8838,0.3567075357);(158.8848,0.9482325948);(159.8773,0.2222700222);(159.8836,0.7761525776);(159.8925,0.3083100308);(160.8848,0.220477522);(160.8915,0.2168925217);(161.8843,0.3244425324);(173.0807,0.469635047);(173.1171,0.2939700294);(173.9084,0.5538825554);(173.9363,1.89825769);(173.9556,0.4068975407);(174.0185,0.3190650319);(174.8272,0.2652900265);(174.8597,1.711837671);(174.8793,0.2312325231);(174.9072,0.589732559);(174.9328,0.7922850792);(174.9533,0.5126550513);(175.0388,1.742310174);(175.0964,0.1828350183);(175.8786,0.240195024);(175.9084,0.3513300351);(176.034,0.310102531);(176.0429,0.1792500179);(176.8576,0.89983509);(176.9078,0.5090700509);(176.9964,0.2330250233);(194.916,0.2007600201)
LC-MS/MS	ESI-QFT	negative	low	View Spectrum	(57.0331,0.5257840368);(59.0124,1.791789521);(61.9869,20.61898183);(63.961,1.059815666);(71.0124,0.2226850038);(72.9917,0.3092847275);(73.028,0.8226973752);(75.0073,0.2680467639);(76.9686,0.3896987567);(78.9576,0.3732035712);(78.9845,0.3917606549);(79.9559,6.486731685);(80.9637,2.948514402);(81.9517,1.274253077);(82.9595,0.8742448298);(83.0488,0.8103259861);(89.023,1.447452525);(93.0331,0.2164993093);(93.9716,0.2103136147);(94.9793,8.925957236);(95.9746,1.061877564);(96.9586,0.2164993093);(97.9298,0.3278418112);(99.9243,0.6103218623);(99.9356,0.7381595497);(101.0037,0.2494896802);(104.0253,0.6000123714);(109.0645,0.2762943566);(111.0801,0.9484731644);(112.0834,0.2185612074);(114.9227,1.129920205);(115.9193,2.272211798);(116.9197,0.2453658838);(116.927,0.6907358915);(116.9384,0.404132044);(119.0488,0.2453658838);(121.9903,0.4185653312);(127.1115,0.2164993093);(131.0489,0.2597991711);(131.0813,0.6845501969);(131.9255,4.956803233);(132.0203,3.882554279);(132.9334,0.3154704221);(133.0233,0.2268088002);(133.0285,0.3567083857);(136.8616,0.4969174622);(138.8588,0.2556753747);(142.8899,0.5319697313);(143.8886,0.4515557022);(143.8976,3.414503392);(144.8964,3.579455246);(145.0282,0.2783562548);(145.8977,1.991793645);(146.0235,0.2989752366);(146.8972,2.810367224);(147.0439,0.5237221386);(154.9461,0.7175405678);(155.9456,2.319635456);(156.9431,1.616528176);(156.9504,0.2206231056);(157.8839,0.5773314914);(158.8848,1.309305347);(159.8838,1.035072888);(159.8926,0.2907276439);(160.8851,0.2494896802);(161.8844,0.4061939421);(173.9363,0.3154704221);(173.9562,0.4061939421);(174.8598,1.224767521);(174.8797,0.4680508876);(174.9536,0.2824800511);(175.039,0.8350687643);(175.8786,0.4804222767);(176.8577,0.6123837605);(177.8793,0.2412420875);(194.9161,0.2371182911)
LC-MS/MS	LC-ESI-QTOF	negative	low	View Spectrum	(25.279,0.0820370182);(25.3335,0.0882874577);(25.4034,0.0875061528);(26.3855,0.0898500676);(26.5537,0.109382691);(26.6746,0.084380933);(26.898,0.0820370182);(26.9894,0.1195396551);(27.0344,0.0789117985);(27.0616,0.0945378972);(28.1149,0.0898500676);(28.5851,0.1031322515);(28.806,0.0937565923);(29.034,0.1265713996);(29.1545,0.0875061528);(30.8535,0.085162238);(30.8688,0.0820370182);(31.6999,0.0796931034);(31.8097,0.1125079107);(31.926,0.0914126775);(31.9534,0.0890687627);(32.2871,0.1140705206);(32.6488,0.0898500676);(33.5595,0.0804744084);(34.5173,0.096881812);(34.9664,0.0992257268);(35.1079,0.0804744084);(35.3055,0.096881812);(36.0198,0.1054761663);(36.7043,0.0835996281);(36.9655,0.0921939824);(37.2031,0.0820370182);(37.3299,0.0804744084);(38.1524,0.0796931034);(38.4204,0.0804744084);(38.655,0.0820370182);(38.9612,0.0804744084);(39.4425,0.1007883367);(39.952,0.085162238);(40.4941,0.085162238);(40.6404,0.0945378972);(40.6633,0.0804744084);(40.9576,0.084380933);(41.0414,0.1523544624);(41.7605,0.0859435429);(42.0014,0.1218835699);(42.0445,0.108601386);(42.1328,0.0796931034);(42.4282,0.0898500676);(42.8487,0.1039135564);(43.2091,0.1218835699);(43.245,0.1078200811);(43.3258,0.1250087897);(43.5591,0.0961005071);(43.6958,0.0812557133);(43.7188,0.0890687627);(43.9572,0.0781304936);(44.1483,0.1109453008);(44.1624,0.0789117985);(44.3803,0.0812557133);(44.6099,0.084380933);(44.7509,0.0875061528);(44.848,0.0812557133);(44.8887,0.0914126775);(44.9959,0.3336172075);(44.999,2.168121196);(45.0018,0.6461391817);(45.0048,0.1164144354);(45.0206,0.1039135564);(45.027,0.1007883367);(45.0323,0.0812557133);(45.0391,0.1546983772);(45.0479,0.0890687627);(45.06,0.109382691);(45.0941,0.085162238);(45.3084,0.0804744084);(46.1757,0.0835996281);(46.4274,0.0812557133);(46.5297,0.0789117985);(46.5524,0.0890687627);(46.7244,0.0875061528);(46.7725,0.085162238);(47.0858,0.109382691);(47.1183,0.085162238);(47.8167,0.0875061528);(47.8674,0.0781304936);(48.3254,0.1062574712);(48.7819,0.1023509466);(49.1994,0.085162238);(49.2881,0.0992257268);(49.9744,0.0898500676);(50.1435,0.0789117985);(51.0172,0.1062574712);(51.3003,0.1046948614);(51.6805,0.085162238);(51.9245,0.0812557133);(51.9307,0.0937565923);(52.2176,0.0835996281);(52.3651,0.0789117985);(52.9274,0.0859435429);(52.952,0.0789117985);(53.2294,0.0953192021);(53.6634,0.0789117985);(53.8645,0.084380933);(54.0497,0.0804744084);(54.2547,0.0890687627);(54.4877,0.0796931034);(54.6189,0.0796931034);(55.2227,0.0796931034);(55.6494,0.0929752873);(57.1613,0.0867248478);(57.9136,0.0898500676);(58.0067,0.0789117985);(58.5258,0.0914126775);(58.5445,0.0882874577);(58.7969,0.0890687627);(59.1834,0.0835996281);(59.2848,0.085162238);(59.4673,0.0945378972);(59.4895,0.0828183232);(59.9113,0.0835996281);(60.0619,0.0859435429);(60.4945,0.0804744084);(60.5285,0.0859435429);(60.6509,0.1039135564);(60.7588,0.084380933);(60.8332,0.0789117985);(61.1468,0.0875061528);(61.3026,0.0820370182);(62.1766,0.0789117985);(62.3298,0.0961005071);(63.1026,0.1062574712);(63.4135,0.0781304936);(64.0233,0.0945378972);(64.1168,0.0820370182);(64.9234,0.1000070317);(65.2691,0.0976631169);(65.4019,0.084380933);(65.6544,0.0828183232);(65.8992,0.1445414131);(66.1003,0.1023509466);(66.2503,0.0882874577);(66.28,0.0781304936);(66.7623,0.1054761663);(67.4103,0.0929752873);(67.6021,0.0921939824);(68.2279,0.1062574712);(68.4185,0.0906313725);(68.4827,0.1179770453);(68.7663,0.0820370182);(68.889,0.1367283637);(69.0209,0.0804744084);(69.1469,0.1000070317);(69.6567,0.1023509466);(69.7122,0.0875061528);(69.895,0.1140705206);(71.2845,0.0961005071);(71.5192,0.0796931034);(71.8566,0.0945378972);(72.1836,0.0929752873);(72.255,0.1007883367);(72.3447,0.1117266058);(72.3574,0.0812557133);(72.3974,0.0890687627);(73.5062,0.084380933);(73.6501,0.0789117985);(73.8108,0.1031322515);(74.2533,0.085162238);(74.6905,0.0867248478);(74.7469,0.1007883367);(74.8909,0.0992257268);(75.1233,0.0796931034);(75.4498,0.1125079107);(76.5088,0.108601386);(76.8776,0.0804744084);(77.1997,0.0875061528);(77.5625,0.0789117985);(78.0632,0.0820370182);(78.3884,0.0914126775);(78.4266,0.0914126775);(78.4671,0.0820370182);(78.7545,0.0820370182);(78.955,0.2914267409);(78.9671,0.0812557133);(78.9882,0.084380933);(79.0164,0.0898500676);(79.2079,0.0796931034);(79.8301,0.0976631169);(80.369,0.0835996281);(80.4453,0.108601386);(80.5619,0.084380933);(80.5818,0.1031322515);(80.7375,0.0789117985);(80.926,0.0875061528);(81.2343,0.0906313725);(81.2713,0.0906313725);(81.3724,0.0929752873);(81.4335,0.0796931034);(82.1898,0.0945378972);(82.5112,0.0835996281);(82.6261,0.132821839);(82.6795,0.0796931034);(83.1051,0.1312592292);(83.1257,0.0867248478);(83.1868,0.0984444219);(83.2064,0.0914126775);(83.3938,0.1062574712);(83.7006,0.0859435429);(83.887,0.0984444219);(83.923,0.0945378972);(84.0185,0.0796931034);(84.1308,0.0835996281);(84.4651,0.0906313725);(84.9395,0.1062574712);(85.2715,0.1140705206);(85.3961,0.0859435429);(85.9126,0.1343844489);(85.9813,0.0953192021);(86.0181,0.0828183232);(86.098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3.2626,0.084380933);(153.5677,0.1054761663);(154.0746,0.0984444219);(154.1017,0.0929752873);(154.309,0.1078200811);(154.3518,0.084380933);(154.4023,0.0906313725);(154.7925,0.0906313725);(155.0014,0.0820370182);(155.2005,0.0906313725);(155.5611,0.0914126775);(155.8179,0.0867248478);(156.0859,0.0859435429);(156.1879,0.0929752873);(156.2787,0.0789117985);(156.3901,0.1586049019);(156.6129,0.1437601081);(156.7586,0.0789117985);(156.82,0.1242274847);(156.8838,0.0835996281);(156.9284,0.1390722785);(156.9502,0.1117266058);(157.0058,0.0992257268);(157.0562,0.0804744084);(157.2508,0.0859435429);(157.5387,0.0859435429);(157.5939,0.0906313725);(157.6925,0.0875061528);(157.7046,0.0835996281);(157.7836,0.0804744084);(157.9303,0.0898500676);(158.1096,0.1101639959);(158.3904,0.085162238);(158.8111,0.0835996281);(158.8608,0.0961005071);(158.9194,0.0828183232);(159.3397,0.0804744084);(159.9189,0.0835996281);(159.9407,0.0781304936);(160.0118,0.0859435429);(160.3122,0.1226648749);(160.5644,0.084380933);(160.7514,0.1187583502);(160.8868,0.0804744084);(161.1561,0.084380933);(161.2208,0.0882874577);(161.5718,0.0890687627);(161.804,0.0835996281);(162.0538,0.0820370182);(162.0719,0.0875061528);(162.2846,0.1125079107);(162.4767,0.1281340094);(162.6044,0.0867248478);(162.6424,0.1711057809);(162.6997,0.1171957403);(162.7463,0.1062574712);(162.8545,0.0859435429);(162.9466,0.109382691);(163.1688,0.1468853279);(163.2363,0.0804744084);(163.3484,0.0921939824);(163.6107,0.1171957403);(163.7678,0.0882874577);(163.8025,0.0804744084);(163.8374,0.0937565923);(164.5755,0.0961005071);(164.6385,0.0835996281);(165.0618,0.1265713996);(165.1061,0.0976631169);(165.3275,0.0859435429);(165.3831,0.1250087897);(165.559,0.0914126775);(165.6181,0.0812557133);(165.7599,0.0921939824);(166.0498,0.1117266058);(166.2203,0.0984444219);(166.3003,0.0882874577);(166.83,0.1265713996);(167.1935,0.108601386);(167.2062,0.0804744084);(167.2404,0.0898500676);(167.7341,0.0882874577);(167.7818,0.084380933);(167.8766,0.0906313725);(167.893,0.1242274847);(168.1771,0.1109453008);(168.2413,0.0937565923);(169.1686,0.0976631169);(169.525,0.0781304936);(169.8426,0.0804744084);(170.0223,0.0961005071);(170.0387,0.0835996281);(170.1667,0.0812557133);(170.5467,0.0867248478);(170.5832,0.0890687627);(170.7379,0.0875061528);(170.769,0.0984444219);(171.0081,0.1554796822);(171.0589,0.0992257268);(171.3073,0.0804744084);(171.4398,0.1257900946);(171.7178,0.0875061528);(171.8981,0.0945378972);(171.9648,0.0921939824);(172.1292,0.0898500676);(172.3999,0.096881812);(172.5018,0.0898500676);(172.573,0.1171957403);(172.7144,0.1320405341);(172.9651,0.0804744084);(173.1981,0.108601386);(173.2595,0.1382909736);(173.5551,0.0828183232);(173.6567,0.0828183232);(173.7607,0.0812557133);(174.3824,0.0789117985);(174.4814,0.0789117985);(174.5502,0.0835996281);(174.6005,0.0875061528);(174.8199,0.4515942527);(174.8321,1.036791649);(174.8563,0.2500175794);(174.8832,0.1859505746);(174.9021,0.1882944895);(174.9236,0.0984444219);(174.9466,0.2773632521);(174.9556,1.539952028);(174.9735,0.2875202163);(174.987,0.2890828261);(174.9991,0.472689486);(175.0257,0.1890757944);(175.0338,0.1109453008);(175.0542,0.1398535835);(175.0724,0.2586119337);(175.0829,0.1851692697)
LC-MS/MS	LC-ESI-QTOF	negative	low	View 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.0426,0.0448486947);(164.058,0.065305994);(164.103,0.0491762003);(164.1378,0.0409145986);(164.2098,0.0814357877);(164.2871,0.0775016917);(164.3204,0.0507498387);(164.3499,0.0586180308);(164.3873,0.0818291973);(164.4259,0.0472091523);(164.4477,0.0605850788);(164.5082,0.0605850788);(164.547,0.0444552851);(164.6393,0.0436684659);(164.6858,0.0775016917);(164.7178,0.0456355139);(164.7967,0.040521189);(164.8215,0.0472091523);(165.1152,0.040521189);(165.2841,0.0660928132);(165.3427,0.0527168867);(165.4037,0.0873369317);(165.4782,0.0397343698);(165.54,0.0444552851);(165.605,0.0483893811);(165.6404,0.0574378019);(165.6891,0.0424882371);(165.7274,0.0424882371);(165.7985,0.065305994);(165.8291,0.040521189);(165.9659,0.0420948275);(165.9759,0.0645191748);(165.9934,0.0409145986);(166.0714,0.0413080083);(166.1992,0.0515366579);(166.2573,0.0436684659);(166.2917,0.0397343698);(166.3432,0.0440618755);(166.7106,0.0468157427);(166.9656,0.0483893811);(167.1689,0.0723873668);(167.2291,0.0468157427);(167.3977,0.0409145986);(167.7689,0.0491762003);(167.9872,0.0743544148);(168.014,0.0472091523);(168.079,0.061371898);(168.3079,0.0409145986);(168.3188,0.0409145986);(168.4192,0.0586180308);(168.4849,0.0413080083);(168.5543,0.0464223331);(168.7569,0.0487827907);(168.777,0.0409145986);(168.8936,0.0452421043);(168.9601,0.05940485);(169.1394,0.0778951013);(169.199,0.0456355139);(169.333,0.0629455364);(169.4951,0.0409145986);(169.6122,0.0468157427);(169.653,0.0491762003);(169.7096,0.0468157427);(169.8099,0.0637323556);(169.8394,0.0464223331);(169.8895,0.0582246212);(169.9396,0.0507498387);(169.985,0.0460289235);(170.0079,0.0472091523);(170.0834,0.0428816467);(170.1689,0.0424882371);(170.2011,0.0448486947);(170.2331,0.0452421043);(170.2799,0.0456355139);(170.2955,0.0420948275);(170.3181,0.061371898);(170.3697,0.0696334996);(170.512,0.0491762003);(170.5702,0.0570443923);(170.5973,0.0397343698);(170.7796,0.0401277794);(170.8743,0.0649125844);(170.9236,0.0617653076);(171.0058,0.0830094261);(171.1324,0.065305994);(171.184,0.0590114404);(171.358,0.0562575731);(171.407,0.0900907989);(171.8791,0.0464223331);(171.888,0.0637323556);(171.9529,0.0413080083);(172.0384,0.0535037059);(172.1227,0.0401277794);(172.2272,0.0424882371);(172.2954,0.0495696099);(172.3438,0.126677892);(172.4506,0.0424882371);(172.4745,0.0409145986);(172.5161,0.0472091523);(172.5462,0.0472091523);(172.611,0.0877303413);(172.6926,0.0562575731);(172.7382,0.0523234771);(172.7571,0.0586180308);(172.8227,0.0424882371);(172.9455,0.0479959715);(172.9799,0.0495696099);(173.2594,0.0483893811);(173.3185,0.0656994036);(173.3361,0.0511432483);(173.4163,0.0590114404);(173.7563,0.0460289235);(173.8146,0.0515366579);(173.944,0.0609784884);(173.9725,0.0578312115);(174.0592,0.0468157427);(174.1069,0.0597982596);(174.1918,0.0554707539);(174.2042,0.0479959715);(174.4688,0.0562575731);(174.5365,0.0621587172);(174.6354,0.0397343698);(174.6565,0.0688466804);(174.7368,0.0590114404);(174.8202,0.1463483721);(174.8589,0.0865501125);(174.9075,0.0562575731);(174.9529,0.0747478244);(174.9662,0.0896973893);(174.987,0.0763214629);(175.0064,0.0645191748);(175.0617,0.0704203188)
LC-MS/MS	LC-ESI-QTOF	negative	low	View 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LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(25.0109,1.37);(25.1168,4.07);(25.9658,1.95);(26.6076,2.44);(27.5887,2.13);(28.1058,3.13);(29.1331,1.8);(29.7877,2.7);(30.3776,2.87);(30.8876,2.15);(31.445,3.44);(32.3777,3.24);(32.8786,1.8);(33.4239,1.53);(33.9965,3.14);(34.6726,2.84);(35.4143,3.01);(35.9804,1.92);(36.9642,3.15);(37.9158,2.49);(38.4568,3.9);(39.1804,2.95);(39.7491,2.67);(40.289,2.33);(40.8034,3.48);(41.3556,2.69);(42.0029,3.91);(42.9843,18.3);(43.4869,1.72);(44.0063,2.77);(44.9989,100.0);(45.8789,5.21);(46.4464,2.9);(46.9649,2.81);(47.6247,1.82);(48.1463,2.42);(48.9218,3.35);(49.8551,3.06);(50.4699,2.99);(51.2009,2.72);(51.7255,2.79);(52.7222,3.19);(53.3802,5.4);(53.9408,2.83);(54.7839,2.6);(55.7525,3.34);(56.4272,2.04);(56.9612,2.96);(57.9741,3.05);(58.6446,4.46);(59.2816,1.89);(59.8129,2.1);(60.5671,2.38);(61.1673,4.39);(61.9051,2.33);(62.4211,3.07);(63.0087,1.33);(63.5614,2.85);(64.1999,2.72);(64.8897,2.06);(65.3953,3.0);(66.2028,2.16);(66.7095,3.11);(67.2951,1.3);(67.8081,2.23);(68.4203,1.77);(69.1409,1.79);(69.8766,2.8);(70.6027,2.2);(71.3615,3.08);(71.9508,2.11);(72.5752,4.19);(73.5955,3.29);(74.3352,3.06);(75.3028,4.57);(76.0467,2.48);(76.9699,4.28);(77.9687,4.8);(78.9605,4.04);(79.7723,2.62);(80.59,2.25);(81.2064,2.39);(81.7995,2.14);(82.3473,1.45);(82.8575,3.11);(83.6659,2.51);(84.4025,2.3);(85.1047,2.37);(85.7704,2.85);(86.343,2.33);(86.9703,11.31);(87.5577,2.94);(88.3707,3.56);(89.1656,2.68);(89.7786,3.26);(90.4912,2.26);(91.1244,2.73);(91.662,3.41);(92.2886,2.55);(93.2162,3.14);(93.8426,1.25);(94.3809,3.01);(94.9408,1.8);(95.6074,2.46);(96.1928,4.29);(96.7411,3.21);(97.2789,1.41);(97.7864,4.27);(98.5045,2.47);(99.2688,2.45);(99.97,4.29);(100.5428,2.49);(101.3492,6.09);(102.0535,3.35);(102.8742,5.55);(103.4775,3.35);(104.0379,2.36);(104.5724,3.44);(105.0987,1.33);(105.6332,3.17);(106.3321,2.68);(106.977,1.6);(107.5858,3.74);(108.1366,1.96);(108.7502,2.57);(109.6566,2.53);(110.5087,3.28);(111.1308,2.11);(111.9436,3.65);(112.5701,1.54);(113.0804,2.16);(113.8643,4.3);(114.3794,2.59);(114.9363,2.09);(115.8198,1.64);(116.347,2.39);(117.0061,2.76);(117.5375,2.56);(118.0974,1.5);(118.6186,2.85);(119.1517,5.4);(119.98,3.41);(120.8508,2.73);(121.4851,3.69);(122.1243,3.1);(122.7673,3.06);(123.3312,3.26);(123.8639,1.75);(124.3775,2.74);(125.0547,1.95);(125.7091,2.74);(126.3506,1.93);(127.0848,2.51);(127.9692,2.82);(128.4883,2.05);(129.1478,3.99);(129.6651,1.43);(130.1911,2.98);(130.9652,2.8);(131.5228,3.51);(132.116,2.78);(133.0792,2.38);(133.6869,2.29);(134.3127,1.42);(134.9072,2.59);(135.8413,2.75);(136.5426,3.73);(137.2284,3.32);(137.7789,1.26);(138.2998,3.22);(138.9348,4.75);(139.9805,2.61);(140.7243,2.99);(141.351,2.18);(142.0602,2.7);(142.7226,3.75);(143.6207,2.4);(144.1286,1.94);(144.7202,3.58);(145.4921,2.18);(146.1865,2.18);(146.7683,3.1);(147.3422,2.86);(147.8472,1.52);(148.4987,3.01);(149.1218,1.66);(149.6312,3.03);(150.3428,2.64);(151.0348,5.27);(151.8394,3.75);(152.5346,3.16);(153.5264,2.14);(154.0867,3.92);(154.7634,3.67);(155.357,2.72);(155.8712,3.13);(156.492,1.81);(157.2234,2.94);(158.0243,3.69);(158.6106,2.9);(159.4936,3.41);(160.1469,2.86);(161.1001,3.56);(161.6629,2.64);(162.2884,2.29);(162.9363,3.5);(163.5304,3.27);(164.0592,3.01);(164.624,1.73);(165.1935,2.98);(165.882,5.09);(166.4453,3.64);(167.2312,3.26);(167.8076,1.43);(168.3171,2.2);(168.8222,2.13);(169.4101,2.77);(169.9612,3.22);(170.7625,2.54);(171.6926,5.15);(172.5365,2.67);(173.1396,3.03);(173.8406,2.51);(174.8121,4.22)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(25.0503,1.02);(25.14,1.47);(25.9921,1.32);(26.9991,1.67);(27.5606,1.68);(28.0637,1.14);(28.8391,1.79);(29.4936,1.23);(30.1038,1.08);(30.7717,1.96);(31.7354,1.4);(32.5251,1.5);(33.0845,1.63);(33.5959,1.79);(34.2406,1.31);(35.1113,1.43);(35.6433,1.63);(36.2996,1.42);(36.8066,1.73);(37.7926,1.77);(38.4193,1.59);(39.1049,2.21);(39.7776,2.39);(40.2937,1.2);(41.0984,1.49);(42.2075,1.42);(43.0007,3.51);(44.0368,1.97);(44.9996,49.76);(45.5985,1.66);(46.4697,2.21);(47.1251,1.7);(47.7569,1.31);(48.5645,1.54);(49.1871,1.08);(49.8815,1.58);(50.5913,1.54);(51.2126,2.23);(52.1439,1.29);(52.6846,1.86);(53.5569,1.25);(54.1299,2.29);(54.9833,1.61);(55.8805,1.08);(56.3891,1.92);(56.9363,1.75);(57.6075,1.04);(58.1877,1.82);(59.4297,1.79);(60.0371,1.47);(60.8184,1.88);(61.329,1.66);(62.3032,1.58);(63.1796,1.67);(63.8091,1.98);(64.5879,1.59);(65.2991,1.74);(65.8916,1.93);(66.7264,1.36);(67.4578,2.07);(68.1267,1.91);(69.012,1.86);(70.008,1.89);(71.0436,2.64);(71.8791,1.89);(72.8022,1.08);(73.3627,1.54);(73.9214,1.05);(74.5511,1.65);(75.0827,5.29);(75.7853,1.46);(76.8171,1.99);(77.5187,1.47);(78.2172,1.74);(79.1381,1.45);(79.9892,2.23);(80.7095,1.25);(81.4962,1.66);(82.6806,2.25);(83.6769,1.55);(84.2216,4.64);(84.978,3.11);(85.5008,1.27);(86.078,1.43);(86.9776,100.0);(87.5649,1.69);(88.283,1.95);(88.9733,2.1);(89.4978,1.72);(90.3827,1.28);(91.0644,2.13);(91.7181,1.53);(92.3602,1.55);(92.9549,1.61);(93.9944,1.58);(94.5092,1.01);(95.2892,1.61);(95.8163,1.98);(96.4549,1.2);(97.1412,2.12);(97.7912,1.84);(98.3435,1.61);(99.0511,1.71);(100.0814,1.4);(100.9325,1.98);(101.7193,1.82);(102.2963,1.31);(102.9747,11.46);(103.7421,2.1);(104.373,1.04);(104.9047,1.66);(105.5741,1.18);(106.1621,1.45);(107.0997,2.38);(107.7536,1.43);(108.3831,2.0);(108.9266,1.22);(109.5143,1.7);(110.2896,1.83);(111.4406,2.02);(112.47,2.93);(112.9766,1.35);(113.5228,2.16);(114.2037,1.81);(114.999,2.86);(115.6921,1.38);(116.233,2.07);(116.8301,1.75);(117.7287,1.85);(118.3434,1.59);(118.9696,2.0);(119.9613,1.41);(120.8718,1.73);(121.3773,1.17);(122.172,1.79);(122.6869,2.34);(123.2038,1.67);(123.7832,1.41);(124.3808,1.48);(124.8831,1.73);(125.4435,2.03);(126.3826,2.11);(127.323,1.46);(127.8787,1.97);(128.4062,1.42);(128.9767,3.06);(129.8596,1.5);(130.4592,1.76);(130.972,21.99);(131.5085,1.16);(132.0219,8.9);(132.939,2.25);(133.8835,2.19);(134.5412,1.11);(135.0475,2.19);(135.79,2.09);(136.3731,1.34);(137.1022,1.69);(137.9625,2.46);(138.9338,5.2);(139.5116,1.25);(140.047,1.51);(140.9927,2.02);(141.6412,2.2);(142.2856,1.49);(142.8883,2.16);(143.6403,1.31);(144.2235,1.03);(144.8537,1.37);(145.4295,2.05);(145.9443,1.59);(146.5745,1.55);(147.1484,2.21);(147.6655,1.3);(148.3227,1.97);(149.3721,1.65);(150.09,1.17);(150.6711,2.86);(151.6513,2.14);(152.4937,1.49);(153.1713,1.47);(153.7451,1.66);(154.4685,1.91);(155.4653,2.09);(155.991,3.17);(156.93,4.42);(157.7977,1.81);(158.9633,2.37);(159.9801,2.25);(160.9105,1.69);(161.5921,1.4);(162.565,2.18);(163.4479,1.76);(164.3873,2.08);(165.4037,2.22);(165.9759,1.64);(167.1689,1.84);(167.9872,1.89);(168.5543,1.18);(169.1394,1.98);(169.8099,1.62);(170.3697,1.77);(170.8743,1.65);(171.407,2.29);(172.3438,3.22);(173.3185,1.67);(173.944,1.55);(174.8202,3.72)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(25.279,1.05);(25.3335,1.13);(26.3855,1.15);(26.9894,1.53);(28.1149,1.15);(29.034,1.62);(30.8535,1.09);(31.6999,1.02);(32.2871,1.46);(33.5595,1.03);(34.9664,1.27);(36.0198,1.35);(36.9655,1.18);(38.1524,1.02);(38.655,1.05);(39.4425,1.29);(39.952,1.09);(40.4941,1.09);(41.0414,1.95);(42.0014,1.56);(43.3258,1.6);(44.1483,1.42);(44.999,27.75);(46.5524,1.14);(47.0858,1.4);(47.8167,1.12);(48.3254,1.36);(49.2881,1.27);(49.9744,1.15);(51.0172,1.36);(51.9307,1.2);(53.2294,1.22);(54.2547,1.14);(55.6494,1.19);(57.1613,1.11);(57.9136,1.15);(58.5258,1.17);(59.4673,1.21);(60.0619,1.1);(60.6509,1.33);(61.3026,1.05);(62.3298,1.23);(63.1026,1.36);(64.0233,1.21);(64.9234,1.28);(65.8992,1.85);(66.7623,1.35);(67.4103,1.19);(68.2279,1.36);(68.889,1.75);(69.895,1.46);(71.2845,1.23);(72.3447,1.43);(73.8108,1.32);(74.7469,1.29);(75.4498,1.44);(76.5088,1.39);(77.1997,1.12);(78.4266,1.17);(78.955,3.73);(79.8301,1.25);(80.4453,1.39);(81.3724,1.19);(82.6261,1.7);(83.3938,1.36);(83.923,1.21);(84.4651,1.16);(85.2715,1.46);(85.9126,1.72);(86.9745,19.41);(87.5866,1.2);(88.3178,1.4);(88.8471,1.1);(89.7312,1.98);(90.3085,1.37);(90.8241,1.02);(91.3341,1.6);(92.6324,1.86);(93.1764,1.52);(94.2486,1.43);(95.0649,1.12);(95.702,4.18);(96.6869,1.76);(97.5187,1.37);(98.5062,1.16);(99.2406,1.85);(99.7883,1.61);(100.3973,1.27);(101.1198,1.15);(101.815,1.09);(102.3787,1.52);(102.9799,4.12);(103.6052,1.47);(104.5464,1.11);(105.322,1.45);(106.432,1.5);(107.8506,1.49);(108.8399,1.64);(109.7357,1.02);(110.345,1.54);(110.9343,1.25);(111.4643,2.02);(112.3315,1.19);(112.9907,2.02);(113.6834,1.2);(114.5875,1.47);(115.6401,1.36);(116.2809,2.24);(117.5043,2.25);(118.0947,1.37);(118.6707,1.56);(120.1837,1.39);(120.8568,1.01);(121.4144,1.62);(122.1374,1.18);(122.6583,1.11);(123.1635,1.52);(124.018,1.25);(124.7661,1.4);(125.2764,1.56);(125.921,1.3);(126.6661,1.44);(127.4718,1.34);(128.5491,1.37);(129.093,1.48);(129.914,1.35);(130.9658,100.0);(131.4684,2.46);(132.0191,2.6);(133.0351,1.3);(133.613,2.26);(134.1916,1.46);(135.1078,1.47);(136.3961,1.43);(137.4998,1.25);(138.1762,2.1);(138.7867,1.57);(139.8701,2.15);(140.5266,1.43);(141.4322,1.21);(142.4277,1.05);(143.0425,1.13);(144.1929,1.62);(145.3277,1.42);(145.8628,1.43);(146.3725,1.02);(147.0446,5.0);(147.6297,1.1);(148.5043,1.69);(149.5617,1.51);(150.2403,1.37);(150.7963,1.37);(151.9175,1.59);(152.9486,1.31);(153.5677,1.35);(154.309,1.38);(155.0014,1.05);(155.5611,1.17);(156.3901,2.03);(156.9284,1.78);(157.5939,1.16);(158.1096,1.41);(158.8608,1.23);(160.3122,1.57);(160.8868,1.03);(161.5718,1.14);(162.0719,1.12);(162.6424,2.19);(163.1688,1.88);(163.8374,1.2);(165.0618,1.62);(166.0498,1.43);(166.83,1.62);(167.893,1.59);(169.1686,1.25);(170.0223,1.23);(171.0081,1.99);(171.8981,1.21);(172.7144,1.69);(173.2595,1.77);(173.7607,1.04);(174.3824,1.01);(174.9556,19.71)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.0217,1.33);(51.0224,9.96);(52.0298,3.37);(53.9364,1.31);(54.9462,1.51);(57.9341,9.26);(65.0376,10.34);(68.962,1.39);(70.9393,1.28);(77.0373,65.19);(78.0451,100.0);(79.0508,1.53);(89.0367,12.54);(90.0435,7.56);(91.0525,33.07);(98.895,3.89);(103.0518,1.42);(105.0323,1.24);(106.0389,12.76);(107.0445,1.56);(118.0349,1.73);(121.0627,22.95);(134.0335,13.04)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(98.9748,2.35);(118.04,1.12);(121.0625,10.24);(133.0622,9.94);(149.0533,2.37);(177.0521,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(57.9336,5.06);(77.0362,7.41);(78.0439,1.86);(79.0528,5.91);(90.0458,3.11);(91.0525,9.02);(98.974,3.44);(103.0528,6.27);(105.0666,2.17);(106.0379,1.2);(118.0393,13.22);(121.0626,100.0);(133.0622,30.11);(134.032,7.78);(149.055,5.55);(162.0282,5.55);(177.0517,44.08)
LC-MS/MS	LC-ESI-QFT	Negative	medium	View Spectrum	(51.775365,0.00017007);(52.303704,0.00027845);(52.801257,0.00022193);(56.07728,0.00017924);(57.033117,0.01455052);(57.974223,0.00035314);(58.028414,0.00094419);(59.012366,0.08368231);(59.141698,0.00022472);(60.015746,0.00054116);(60.974007,0.00022957);(60.99163,0.0002684);(61.807768,0.00024196);(61.888766,0.00017803);(61.978007,0.00138815);(61.984094,0.00185661);(61.986877,1.0);(62.367825,0.00021575);(62.983977,0.00354425);(62.991124,0.00063704);(63.960948,0.0266057);(63.991127,0.00561977);(64.654634,0.00025056);(64.968884,0.00047598);(65.341861,0.00028088);(65.997054,0.00138352);(67.017543,0.00107428);(67.171067,0.0002052);(68.576318,0.00021701);(68.996697,0.00097005);(69.033121,0.00632836);(69.502597,0.00019683);(70.028636,0.00020284);(71.012362,0.01528423);(71.048787,0.00495884);(72.007607,0.00183652);(72.991636,0.02441036);(73.028031,0.01998443);(73.767489,0.00019043);(74.023262,0.00733353);(74.186897,0.00021223);(74.279252,0.00021609);(75.007285,0.02569376);(75.082436,0.00016597);(76.774403,0.00023528);(76.9686,0.00258997);(77.079887,0.0001715);(78.31303,0.00018884);(78.724653,0.00022633);(78.957574,0.01851361);(78.965297,0.00018347);(78.981945,0.00027298);(78.984449,0.02698259);(79.90174,0.00026546);(79.955876,0.14719647);(80.955241,0.00475257);(80.9637,0.224294);(80.977208,0.00028108);(81.033214,0.00051348);(81.951671,0.02892522);(81.960202,0.0034579);(81.963082,0.01319715);(81.967811,0.00065904);(82.915165,0.0001702);(82.959518,0.07178114);(82.967944,0.00932283);(82.996679,0.0002418);(83.01235,0.0014749);(83.048745,0.01997553);(83.21437,0.00019132);(83.35511,0.00025809);(83.710646,0.0002824);(84.044152,0.00019567);(84.05212,0.00046732);(85.027971,0.00770425);(85.064384,0.01002111);(85.138448,0.00023332);(85.157492,0.00019656);(86.023236,0.00076877);(86.067602,0.00066754);(87.007353,0.0137789);(87.043656,0.00391107);(88.038948,0.00388878);(89.022967,0.09801947);(89.02614,0.0010119);(89.09578,0.00027339);(89.924243,0.01300576);(90.026269,0.00306475);(90.932101,0.00991877);(90.966682,0.00250817);(91.020498,0.00021174);(91.027122,0.00086789);(91.91979,0.00023752);(91.970333,0.00022451);(92.194962,0.00019001);(92.443172,0.00022281);(92.926653,0.00524014);(92.962512,0.00261137);(92.979545,0.00017593);(92.982363,0.01043848);(93.00001,0.0008464);(93.033113,0.0087849);(93.971576,0.00177977);(93.981827,0.00152838);(93.985678,0.00231468);(93.995411,0.00288486);(94.028713,0.00021621);(94.036529,0.00059288);(94.923594,0.0010162);(94.941675,0.00024547);(94.961863,0.00022555);(94.979406,0.45909468);(95.012359,0.00108321);(95.048727,0.00163046);(95.915296,0.0054694);(95.93309,0.00041929);(95.950812,0.00156123);(95.974662,0.05491148);(96.940923,0.00051519);(96.958614,0.01472851);(97.028004,0.00141596);(97.064406,0.00777878);(97.929837,0.00777331);(98.023255,0.00274371);(98.936756,0.00055171);(98.954453,0.00341873);(99.007348,0.00853979);(99.043707,0.00478907);(99.080096,0.0013698);(99.924336,0.01188522);(99.935631,0.02672445);(100.007462,0.00091423);(100.924486,0.00047943);(100.932154,0.00348156);(101.00372,0.00600114);(101.023014,0.00373667);(101.059334,0.01128824);(101.070774,0.00023673);(101.979539,0.00028732);(102.054625,0.00347037);(102.615437,0.00024663);(102.921963,0.00204167);(102.932206,0.00063271);(102.945592,0.00026079);(103.918565,0.00021242);(104.02522,0.00808154);(104.033834,0.00312166);(104.590021,0.00023709);(105.033012,0.00087677);(106.927033,0.00523728);(107.048984,0.00021999);(108.020275,0.00326895);(108.958671,0.00025675);(109.064513,0.00413547);(109.966449,0.00065726);(110.034646,0.00031094);(110.894435,0.00122129);(110.974081,0.00081217);(111.007397,0.00132585);(111.043716,0.00619721);(111.080117,0.27776145);(111.928002,0.0116052);(112.039044,0.00160139);(112.047501,0.00022179);(112.083465,0.05236405);(112.890782,0.00043318);(112.910409,0.00027531);(112.935837,0.00590637);(112.953144,0.00216591);(112.969986,0.00020522);(113.022995,0.00350454);(113.059442,0.0111656);(113.063772,0.00021096);(113.924209,0.00022121);(114.018285,0.00097442);(114.022905,0.00135418);(114.054741,0.00125627);(114.211316,0.00017748);(114.922766,0.03660573);(114.932565,0.00468218);(114.959261,0.00022775);(115.002304,0.003007);(115.019435,0.00853431);(115.038675,0.01292853);(115.075107,0.0001945);(115.919283,0.06175871);(115.930301,0.0002933);(116.033932,0.00199385);(116.070206,0.00146776);(116.919799,0.00579889);(116.927124,0.03635556);(116.93834,0.00336824);(117.017923,0.06025531);(117.033229,0.00587995);(117.044555,0.00028908);(117.054357,0.00067224);(117.917921,0.00030803);(117.92721,0.00313471);(117.946486,0.00028834);(118.02137,0.00063391);(118.049558,0.00642164);(119.033607,0.00183898);(119.048837,0.03098701);(119.05299,0.00033966);(120.019629,0.00025613);(120.052259,0.00168289);(120.542313,0.00027278);(121.028132,0.010412);(121.990323,0.02467332);(121.995227,0.00025323);(123.043622,0.00026269);(125.961337,0.00023021);(126.928344,0.00024893);(126.951562,0.00164488);(127.075055,0.00194834);(127.111438,0.03755027);(127.603072,0.00026385);(127.888219,0.00058843);(127.923006,0.0002846);(128.033899,0.0005906);(128.070912,0.00020128);(128.114656,0.00525056);(128.886048,0.00054707);(128.947357,0.0022769);(129.018027,0.00057438);(129.054341,0.01886506);(129.090713,0.04908597);(129.951769,0.00020692);(130.040728,0.00022772);(130.049648,0.00149865);(130.057929,0.00098678);(130.064918,0.00072094);(130.085769,0.00046263);(130.094129,0.00576411);(130.942904,0.00189623);(130.954111,0.00411017);(130.978845,0.00036092);(131.033873,0.00062158);(131.048931,0.00504735);(131.069923,0.01054);(131.081218,0.08834255);(131.086601,0.00131218);(131.925535,0.12782114);(132.020257,0.17410462);(132.043952,0.00037517);(132.0846,0.00497698);(132.866311,0.00096205);(132.933346,0.00863164);(132.980375,0.00077544);(133.015252,0.00020802);(133.023412,0.01094418);(133.028322,0.00759276);(133.038937,0.00023016);(133.064598,0.00462838);(134.035799,0.00231142);(134.863746,0.00029176);(134.904532,0.00397253);(136.861479,0.032936);(138.858746,0.01520645);(139.871446,0.00435044);(139.895762,0.0018621);(141.866724,0.02098341);(141.888803,0.00699376);(141.94626,0.01067615);(141.956265,0.01219688);(142.88979,0.01436752);(142.923398,0.00287049);(142.942794,0.01823958);(143.033603,0.00211593);(143.863777,0.0059355);(143.888634,0.01261965);(143.897611,0.14299437);(143.942956,0.00120675);(143.952107,0.00618234);(144.870735,0.0006072);(144.890581,0.00522218);(144.89641,0.15884102);(144.939715,0.00109977);(145.028143,0.02424192);(145.890675,0.00254348);(145.897769,0.08307365);(146.023625,0.02136077);(146.036112,0.00900865);(146.044724,0.00277113);(146.897179,0.12067226);(146.986059,0.00033627);(147.007178,0.00124576);(147.018592,0.00070463);(147.043793,0.24032592);(148.015306,0.02386185);(148.039529,0.00356797);(148.047123,0.01991935);(148.937793,0.00029469);(149.008332,0.00023872);(149.023231,0.00231815);(149.059444,0.00237178);(150.021642,0.01255848);(154.946016,0.03565777);(155.033492,0.00118695);(155.069983,0.00229119);(155.106358,0.00159196);(155.945596,0.13178338);(156.065922,0.00022705);(156.92585,0.00801057);(156.942933,0.08517358);(156.950222,0.01377814);(157.013082,0.00338618);(157.049371,0.00351442);(157.883895,0.01649792);(157.942491,0.00320826);(157.949554,0.00108044);(158.884733,0.04714083);(158.891836,0.01293786);(158.938041,0.00047438);(159.697688,0.00030107);(159.827887,0.00019716);(159.877332,0.01419532);(159.883658,0.03909508);(159.892548,0.02547766);(159.911501,0.00352049);(159.929194,0.00025733);(159.957073,0.00210568);(160.015358,0.00050095);(160.84066,0.00058523);(160.884932,0.01202179);(160.891438,0.0158244);(161.010345,0.00042833);(161.855989,0.00054939);(161.874881,0.00412787);(161.884301,0.02001689);(161.892108,0.0051731);(162.030941,0.00816389);(162.491344,0.00382692);(162.892168,0.00298853);(163.039139,0.00028676);(167.263676,0.0002963);(172.93932,0.0002106);(172.956997,0.01382605);(172.990611,0.00484345);(172.999516,0.00026222);(173.006859,0.00846292);(173.014889,0.00091738);(173.024212,0.01026033);(173.034563,0.00075175);(173.044146,0.00796557);(173.080721,0.10300795);(173.108822,0.00219273);(173.117151,0.05068156);(173.828638,0.00927643);(173.841699,0.00134619);(173.878488,0.00527969);(173.885472,0.00137075);(173.908434,0.08551049);(173.936196,0.21572919);(173.955357,0.02626514);(173.968882,0.00695964);(173.977041,0.00107955);(173.985638,0.00351145);(173.993643,0.00054989);(174.00125,0.00519647);(174.010096,0.00313382);(174.018441,0.03507356);(174.030922,0.00597804);(174.039314,0.00148988);(174.047515,0.00059252);(174.055131,0.00758474);(174.065416,0.00129541);(174.083985,0.02590897);(174.091659,0.00061805);(174.12044,0.00900056);(174.82724,0.04142707);(174.838572,0.0153428);(174.85972,0.12036871);(174.879258,0.01309784);(174.887551,0.00713478);(174.907139,0.09267225);(174.93372,0.08844015);(174.953258,0.04927579);(174.961188,0.00575848);(174.96887,0.00059282);(174.986268,0.00032947);(174.995988,0.00022571);(175.005453,0.00311237);(175.014513,0.00298924);(175.024284,0.00732615);(175.03881,0.13461013);(175.050168,0.00714783);(175.059248,0.01895411);(175.075208,0.00868456);(175.087349,0.00156215);(175.096369,0.03736003);(175.826188,0.00125677);(175.838884,0.00086721);(175.847976,0.00067903);(175.878668,0.01377373);(175.887638,0.01310236);(175.908447,0.05241223);(175.931905,0.01067933);(175.940322,0.00190436);(176.001691,0.00253202);(176.010159,0.02798506);(176.034035,0.02776665);(176.042802,0.01371179);(176.054471,0.00166002);(176.062961,0.00029813);(176.070683,0.00393021);(176.099546,0.00125874);(176.816509,0.00188417);(176.824903,0.00549397);(176.835832,0.0095959);(176.857635,0.06369948);(176.879684,0.00399632);(176.887046,0.00679028);(176.899852,0.00276068);(176.907863,0.07771233);(176.928998,0.00460706);(176.949602,0.00034131);(176.985094,0.0005578);(176.996442,0.03453884);(177.018334,0.01746871);(177.03136,0.00532759);(177.03973,0.00063599);(177.054529,0.01403224);(177.064155,0.00023002);(177.090912,0.01666642);(177.879399,0.0016695)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(51.452813,0.00020912);(52.172353,0.00021228);(52.445054,0.0003068);(53.674241,0.00021165);(53.716741,0.00020922);(54.112397,0.00019927);(54.125456,0.00019309);(54.747155,0.00020514);(55.017539,0.00029622);(56.687785,0.00019278);(56.979035,0.00023748);(57.03311,0.02207225);(57.234838,0.00033151);(57.982031,0.00034048);(58.028306,0.00143333);(58.963012,0.00031127);(59.004616,0.00035416);(59.012376,0.0816744);(59.582226,0.00039597);(60.015781,0.00022439);(60.732594,0.00020992);(60.973887,0.00067128);(60.991626,0.00019206);(61.85278,0.00035439);(61.977806,0.00530652);(61.986888,1.0);(61.995814,0.00299781);(62.983979,0.00198216);(62.991154,0.00092699);(63.315329,0.00021233);(63.960978,0.0348102);(63.991173,0.00504639);(64.464997,0.00031883);(64.96877,0.00137396);(65.108256,0.00038668);(65.528851,0.00020246);(65.956838,0.00058309);(65.997185,0.00099385);(67.017463,0.00118583);(67.27814,0.00020902);(68.996667,0.00125656);(69.033093,0.00529775);(69.14845,0.00022361);(70.535616,0.00022302);(70.947638,0.00020848);(71.01236,0.01563434);(71.048748,0.00662424);(71.324261,0.00028703);(72.007617,0.00179006);(72.991627,0.02264019);(73.028013,0.03037348);(73.245619,0.00024304);(73.557296,0.00019018);(74.023218,0.00721451);(74.789581,0.00025778);(74.97959,0.00023407);(75.00728,0.02081074);(75.321517,0.00019886);(75.635921,0.0003362);(76.968562,0.00621342);(77.964272,0.00029965);(77.968115,0.00083774);(78.07352,0.0003202);(78.957583,0.01732159);(78.984431,0.02914954);(79.050821,0.00030879);(79.955878,0.1734333);(80.95011,0.00024604);(80.955289,0.00488024);(80.963701,0.19352883);(80.976849,0.00023949);(80.980144,0.00066472);(81.032982,0.00050657);(81.951696,0.04225745);(81.96012,0.00444137);(81.963057,0.00968091);(81.967899,0.00027408);(82.506925,0.00034912);(82.959521,0.06081607);(82.967925,0.00777254);(83.012285,0.00097006);(83.023592,0.00044216);(83.048757,0.03647514);(84.043918,0.00032397);(84.052067,0.0022824);(84.183702,0.00029896);(85.027999,0.00660643);(85.064391,0.01085343);(85.074102,0.00025967);(85.275582,0.0003584);(86.023353,0.00060611);(87.007315,0.01281942);(87.043638,0.00309818);(88.038908,0.00263397);(89.022965,0.09289815);(89.040179,0.00041863);(89.74731,0.00020423);(89.924238,0.01027588);(90.02623,0.00209545);(90.932168,0.00632451);(90.966765,0.00055608);(91.027246,0.00044378);(91.919633,0.00028594);(92.025557,0.00030811);(92.483194,0.00034599);(92.92675,0.00224897);(92.962491,0.00120795);(92.982398,0.0113164);(92.999973,0.00028838);(93.033104,0.00785845);(93.971522,0.00468497);(93.981782,0.00133753);(93.985645,0.00244499);(93.995306,0.00479071);(94.028338,0.00028425);(94.036541,0.00060938);(94.962035,0.00114279);(94.979407,0.4521895);(95.012279,0.00043725);(95.048751,0.00205855);(95.915323,0.00374704);(95.950784,0.00221019);(95.967344,0.00041468);(95.974654,0.05570541);(95.978206,0.00046452);(95.991156,0.00089619);(96.941467,0.0002122);(96.958624,0.01267805);(96.975967,0.00029713);(97.027964,0.00199911);(97.064412,0.00352782);(97.929847,0.01077728);(98.02331,0.00141981);(98.954433,0.00230425);(99.007349,0.00906869);(99.043653,0.00349558);(99.080104,0.00123001);(99.92436,0.01320952);(99.935656,0.03061309);(100.932076,0.00208609);(101.003689,0.00972874);(101.02295,0.00125257);(101.059356,0.0074625);(101.071003,0.00021675);(101.736056,0.00031741);(101.92285,0.00040531);(102.054517,0.00040729);(102.38256,0.00031632);(102.92186,0.00216884);(102.932017,0.00029886);(102.945605,0.00023742);(104.025378,0.0137959);(104.03383,0.00113196);(105.03318,0.00328395);(106.926993,0.00247196);(107.048946,0.00194932);(107.126264,0.00024198);(108.020184,0.00337918);(108.898075,0.0002602);(108.958679,0.00088742);(109.064449,0.00963913);(109.866857,0.00031408);(110.894439,0.00066791);(111.043709,0.00318767);(111.080091,0.19843531);(111.928059,0.00986372);(111.945486,0.0002229);(112.03901,0.00027035);(112.083473,0.03866352);(112.891024,0.000443);(112.935775,0.00260581);(112.952966,0.00059073);(113.022944,0.00154044);(113.059432,0.00703605);(113.924478,0.00025814);(114.022902,0.00080399);(114.922744,0.03922562);(114.932629,0.0034684);(115.001909,0.0002735);(115.019461,0.00840954);(115.038684,0.01022197);(115.919296,0.0871408);(115.924068,0.00142197);(116.034189,0.00065356);(116.070333,0.00180769);(116.919706,0.00818794);(116.927096,0.03686125);(116.93826,0.00509677);(117.017917,0.04031375);(117.033259,0.00572173);(117.660987,0.00031744);(117.917488,0.00027901);(117.927162,0.00196162);(117.946438,0.00036985);(118.049585,0.00336401);(118.940522,0.00057506);(119.033553,0.00050144);(119.048851,0.02185252);(119.127218,0.00031481);(120.020539,0.00093914);(120.051843,0.00032359);(120.166665,0.0013996);(120.958617,0.00031817);(121.028063,0.01014306);(121.990302,0.0291361);(122.166233,0.00034028);(122.446556,0.00032206);(123.043761,0.0002591);(123.18048,0.00036665);(125.961462,0.00029606);(126.951536,0.00069074);(127.074998,0.00080604);(127.1114,0.0332491);(127.697955,0.00035276);(127.888013,0.00059193);(128.033942,0.00030167);(128.114762,0.00386703);(128.947364,0.00063765);(129.017955,0.00026983);(129.054302,0.00872644);(129.090703,0.03734748);(130.040895,0.00026101);(130.049594,0.00068419);(130.057541,0.00028924);(130.093846,0.00280952);(130.942587,0.00075611);(130.9541,0.00263055);(131.048704,0.00805087);(131.06993,0.002235);(131.081201,0.07130581);(131.925503,0.18519126);(132.020227,0.24190355);(132.044328,0.00071716);(132.066365,0.00023415);(132.084549,0.00149222);(132.866644,0.00097895);(132.933401,0.01074771);(133.015165,0.00075444);(133.023391,0.01519398);(133.028231,0.0097217);(133.064653,0.00202411);(134.035828,0.0034481);(134.904585,0.00359849);(135.043694,0.00039432);(136.861475,0.02952801);(138.858772,0.01465348);(139.871393,0.00370363);(139.895599,0.00057272);(141.866762,0.01571524);(141.872944,0.00026773);(141.888934,0.00400915);(141.946175,0.00549409);(141.956337,0.00552478);(142.889796,0.01443961);(142.895813,0.00061865);(142.923443,0.00076903);(142.942773,0.00799258);(143.863987,0.00307816);(143.888707,0.01224694);(143.897609,0.15948547);(143.952045,0.00143768);(143.96012,0.00024515);(144.890475,0.00369076);(144.896383,0.16700232);(145.028192,0.0179594);(145.89147,0.0019424);(145.897748,0.09061469);(146.023495,0.02349375);(146.036212,0.0028317);(146.044179,0.00030827);(146.897165,0.13705797);(147.018731,0.00323465);(147.043772,0.11884393);(147.080186,0.00029864);(148.015216,0.0184496);(148.039561,0.00146702);(148.047129,0.00845122);(149.023105,0.00085787);(149.059529,0.00115748);(150.021645,0.00577904);(154.94601,0.03376347);(155.033862,0.00032475);(155.070139,0.0007552);(155.10638,0.00043245);(155.945578,0.11517274);(156.925673,0.00853169);(156.943047,0.07577022);(156.95026,0.01218341);(156.990548,0.00021844);(157.012995,0.00035047);(157.048774,0.00025219);(157.883841,0.01985825);(157.921474,0.0003049);(157.942454,0.00190864);(157.9499,0.00028388);(158.668375,0.00022619);(158.845312,0.00044308);(158.884802,0.05286081);(158.891796,0.00946717);(159.877261,0.01238942);(159.883629,0.04334808);(159.892502,0.01723428);(159.911767,0.00257636);(160.015063,0.00067508);(160.026305,0.00041115);(160.840983,0.00046804);(160.884841,0.01228208);(160.891502,0.01208759);(161.010152,0.00100472);(161.023385,0.00027139);(161.856024,0.00047415);(161.874671,0.00274395);(161.884348,0.01811851);(161.89176,0.0027721);(162.031048,0.00706368);(162.491297,0.00221513);(162.89238,0.00065237);(172.95695,0.00989512);(172.990308,0.00224729);(173.006814,0.00491663);(173.015372,0.00079065);(173.024114,0.00580635);(173.044634,0.00095761);(173.080682,0.02616403);(173.117069,0.01640888);(173.82878,0.00326491);(173.841442,0.00028193);(173.865435,0.00027325);(173.879027,0.00535528);(173.908445,0.03085373);(173.936283,0.10590882);(173.955579,0.02267043);(173.969073,0.00336909);(173.977141,0.00027817);(173.985504,0.00107946);(174.010377,0.00186019);(174.018516,0.01780488);(174.030148,0.000628);(174.0408,0.00030615);(174.05512,0.00216589);(174.084024,0.00289778);(174.120485,0.00136152);(174.827179,0.0147995);(174.838197,0.00557061);(174.859749,0.09553336);(174.879258,0.01293743);(174.887556,0.00172037);(174.907234,0.03287497);(174.932817,0.04421391);(174.953339,0.02864211);(174.961234,0.00260628);(175.005288,0.00025849);(175.01407,0.00112905);(175.024706,0.00130419);(175.038813,0.09716646);(175.050294,0.00520942);(175.059713,0.00525742);(175.075248,0.00391533);(175.096388,0.01019935);(175.615795,0.00033566);(175.826163,0.00027716);(175.87861,0.01344648);(175.887373,0.00336114);(175.908405,0.01963179);(175.932732,0.00362925);(176.010186,0.0094766);(176.034047,0.01732863);(176.042857,0.01001416);(176.070487,0.00108316);(176.816482,0.00036905);(176.824761,0.00180932);(176.835617,0.00264061);(176.857629,0.05023641);(176.87982,0.00405104);(176.887269,0.00066927);(176.907808,0.02838662);(176.928162,0.00240997);(176.996436,0.01303118);(177.018151,0.00846379);(177.029717,0.00054747);(177.054502,0.00666798);(177.090907,0.00642665);(177.121064,0.00022229);(177.879312,0.00253041)
LC-MS/MS	LC-ESI-QFT	Negative	high	View Spectrum	(50.39451,0.00021459);(50.445663,0.00020556);(50.463737,0.00020193);(50.595845,0.00026393);(50.757999,0.00022256);(51.409746,0.00033944);(51.440538,0.00034023);(52.690427,0.00030177);(54.428836,0.00022803);(54.499585,0.00035521);(54.660814,0.00023254);(55.017524,0.00110616);(55.840874,0.00031564);(56.334228,0.00036419);(56.999125,0.00033047);(57.033114,0.02547695);(57.034587,0.00074036);(58.028402,0.00333402);(58.036559,0.00053827);(58.43637,0.00025635);(59.012365,0.08694912);(59.194747,0.00022888);(59.447979,0.00020891);(59.502256,0.00032926);(59.664437,0.00020772);(59.761604,0.00033761);(60.230002,0.00021042);(60.270525,0.00022882);(60.973906,0.00232705);(61.02742,0.00020499);(61.03519,0.00022844);(61.977707,0.00663841);(61.984037,0.00068176);(61.98687,1.0);(61.995327,0.00245286);(61.996558,0.00189208);(62.962629,0.00025926);(62.983937,0.00329309);(63.960961,0.05141862);(63.991132,0.00592451);(64.968822,0.00096);(65.00184,0.00074043);(65.956834,0.00236733);(65.997124,0.00410887);(67.017516,0.00182693);(67.142449,0.00022187);(68.112235,0.00021844);(68.252382,0.00020304);(68.996749,0.00173589);(69.033125,0.00486552);(69.994043,0.00035394);(70.081408,0.00023005);(70.364831,0.00030587);(70.745311,0.00022831);(71.012367,0.01084729);(71.048724,0.00633815);(72.007701,0.00193269);(72.991663,0.01502772);(73.028043,0.03989321);(74.023247,0.00722012);(75.007293,0.01300759);(76.017858,0.00040898);(76.968562,0.01888526);(77.964064,0.00166915);(77.9682,0.00456246);(78.402459,0.0003398);(78.917443,0.00046018);(78.957623,0.01814792);(78.965417,0.00309218);(78.984475,0.01895678);(79.955901,0.31459564);(80.635662,0.00022565);(80.915479,0.00024992);(80.955292,0.00842817);(80.96372,0.14300419);(80.980164,0.00033584);(81.033122,0.00560701);(81.951682,0.06180019);(81.960164,0.00679387);(81.963096,0.00567276);(82.703129,0.00037454);(82.959509,0.04238272);(82.967973,0.00331788);(83.01242,0.00034373);(83.023591,0.00022825);(83.048768,0.0393236);(84.020176,0.00025123);(84.052119,0.0048881);(84.617884,0.00042191);(84.948401,0.00089279);(85.028071,0.00316312);(85.064393,0.00567562);(85.246477,0.00022974);(87.007296,0.00577387);(87.043782,0.00090046);(87.761806,0.0002453);(88.038901,0.00239665);(88.968921,0.00038109);(89.022967,0.07016047);(89.038101,0.00124619);(89.924273,0.00594219);(90.479767,0.00033709);(90.932034,0.00233982);(90.966836,0.00032365);(91.017518,0.00228909);(91.939839,0.00022548);(92.293883,0.00035857);(92.70851,0.00019256);(92.92695,0.00044108);(92.962502,0.00031229);(92.982291,0.0030084);(92.98734,0.00040753);(92.999857,0.00097204);(93.033121,0.01052901);(93.971552,0.0101574);(93.974511,0.00021806);(93.981935,0.00025081);(93.985793,0.00021323);(93.99533,0.00525548);(94.028246,0.00032164);(94.962046,0.00076662);(94.979343,0.43288857);(95.0124,0.00137343);(95.048831,0.00271683);(95.57801,0.00020878);(95.915353,0.00338885);(95.932675,0.00038551);(95.950798,0.00253452);(95.967385,0.0024141);(95.971068,0.00035179);(95.974606,0.05149527);(95.978323,0.0037632);(95.991138,0.00051065);(96.958649,0.0105473);(96.976005,0.00226605);(97.027961,0.00163827);(97.064342,0.00086053);(97.929809,0.01588987);(98.023154,0.00062407);(98.763189,0.00023075);(98.927844,0.00028719);(98.954511,0.00168341);(99.007356,0.00458956);(99.080167,0.00109664);(99.519589,0.00038468);(99.924315,0.02962946);(99.935603,0.03584651);(99.938927,0.00038401);(100.007354,0.0028232);(100.924493,0.00272959);(100.932172,0.00202307);(101.00371,0.01210984);(101.059296,0.00098395);(101.301314,0.00035467);(101.92241,0.00030628);(102.054581,0.0002325);(102.891006,0.0002169);(102.921808,0.00184066);(104.025305,0.02907539);(105.020424,0.00027698);(105.029251,0.00071613);(105.033119,0.0079353);(105.919281,0.00022012);(107.048727,0.00323839);(108.020368,0.00257721);(108.958871,0.00112171);(108.995434,0.00028075);(109.064471,0.0133751);(110.067798,0.00091757);(110.894513,0.00047654);(111.006949,0.00029814);(111.043655,0.00022628);(111.080143,0.04595994);(111.928084,0.00596445);(112.083394,0.01059942);(112.891007,0.00053369);(112.935893,0.0030723);(113.059583,0.00064828);(113.924449,0.00080516);(114.054567,0.00025278);(114.922714,0.05477266);(114.932498,0.00159774);(114.959141,0.00035658);(115.019417,0.00499807);(115.038721,0.00211962);(115.91925,0.11015998);(116.919692,0.01187439);(116.927041,0.03346384);(116.938359,0.01957448);(117.018002,0.00889338);(117.033313,0.00935769);(117.917699,0.00058102);(117.927193,0.00220858);(118.028671,0.00031868);(118.940573,0.00241459);(119.015734,0.00324426);(119.048845,0.01187069);(119.157656,0.00035731);(119.162279,0.00434688);(119.166339,0.00036185);(120.020215,0.00061015);(120.337038,0.00030607);(120.718023,0.0002542);(121.02815,0.0049027);(121.720142,0.00036341);(121.990306,0.0203071);(122.564465,0.0003206);(123.043829,0.00261249);(124.552556,0.00021323);(125.961584,0.00161882);(126.9284,0.00024578);(127.07478,0.0002916);(127.1115,0.01050076);(128.114752,0.00089206);(129.054638,0.00030131);(129.09083,0.0069036);(130.041173,0.00062525);(130.094296,0.00033077);(130.954197,0.00026622);(131.048892,0.01257164);(131.081283,0.03320718);(131.925484,0.24040845);(132.020314,0.18826806);(132.044135,0.0010625);(132.084605,0.00048837);(132.933422,0.01526499);(132.995086,0.00065826);(133.015682,0.00034006);(133.023292,0.01096129);(133.02846,0.01728726);(133.064713,0.00026508);(133.929745,0.00087667);(134.036462,0.00024899);(134.904638,0.0018837);(135.043907,0.00078142);(136.861555,0.02407881);(138.85877,0.01242699);(139.871364,0.00210942);(141.8667,0.00701401);(141.889009,0.00609947);(141.956304,0.00029949);(142.889865,0.02577015);(142.896261,0.00123607);(142.923451,0.00024919);(143.863825,0.00063642);(143.888615,0.02186191);(143.897586,0.16564433);(144.043946,0.00028809);(144.724588,0.00034807);(144.890194,0.00984238);(144.896392,0.17363314);(145.028203,0.0135004);(145.889787,0.0089665);(145.897743,0.09656057);(146.023538,0.01452944);(146.030739,0.00092358);(146.897152,0.13632298);(147.018763,0.00037531);(147.043903,0.02543516);(148.015366,0.00340924);(148.040071,0.00024415);(148.047207,0.00032882);(148.966783,0.00035731);(149.023084,0.0003578);(154.946123,0.03484849);(154.964123,0.00073882);(155.287074,0.00044183);(155.945611,0.11251092);(156.925929,0.00597416);(156.943053,0.07835911);(156.950431,0.01069613);(156.960697,0.00037785);(157.883915,0.02796953);(157.942579,0.00130742);(157.949807,0.00025359);(158.844872,0.00032128);(158.884831,0.06347582);(158.891663,0.00753638);(159.031751,0.00067549);(159.877198,0.00735817);(159.883759,0.05017768);(159.892581,0.0141057);(159.911348,0.00030926);(160.014502,0.0004586);(160.026642,0.00084503);(160.84128,0.00088139);(160.885063,0.01212068);(160.891413,0.00882242);(161.010589,0.00285575);(161.877012,0.00145981);(161.884356,0.01974685);(161.891644,0.00071035);(162.030888,0.00130893);(162.490919,0.00032076);(162.892302,0.00035344);(165.898077,0.00038433);(171.365353,0.0003396);(172.956807,0.00587591);(173.006648,0.00066217);(173.117025,0.00026107);(173.155643,0.00021644);(173.878896,0.00589598);(173.90804,0.00163538);(173.936275,0.01526563);(173.956224,0.01973848);(174.010414,0.00023847);(174.018621,0.0048428);(174.827312,0.0019053);(174.859838,0.05942882);(174.879718,0.0226781);(174.907009,0.00173402);(174.932911,0.00641671);(174.95357,0.01368758);(174.960607,0.00063426);(175.039005,0.04047119);(175.049659,0.00039312);(175.07589,0.00076737);(175.878619,0.02331625);(175.90787,0.00071649);(176.03421,0.00448224);(176.042481,0.00265682);(176.070229,0.00024311);(176.816511,0.00025463);(176.857714,0.02970355);(176.880041,0.00985599);(176.905986,0.00636248);(176.928446,0.00232546);(177.879297,0.0117436);(178.331075,0.00033343)
LC-MS/MS	LC-ESI-QFT	Positive	medium	View Spectrum	(50.334717,0.00012448);(51.10801,0.00013531);(51.23402,0.00010986);(51.76021,0.0001044);(52.261415,0.00011808);(53.349223,0.00012097);(53.813564,0.0001104);(54.192601,0.00006669);(54.763556,0.00013851);(55.62199,0.00012109);(56.754632,0.00011573);(56.965459,0.00027531);(57.684329,0.00012484);(59.560198,0.00008344);(59.753159,0.00010682);(59.769713,0.00012883);(59.775525,0.00010962);(59.820662,0.00007845);(59.917912,0.00006368);(60.906841,0.00014075);(62.438552,0.0001093);(62.699416,0.00006402);(64.316995,0.00013916);(64.669394,0.00011585);(65.910044,0.00007744);(66.675054,0.00013137);(66.760769,0.00012467);(67.428777,0.0001166);(67.739993,0.0001075);(69.560325,0.00008894);(70.065604,0.00119879);(70.214644,0.00006536);(70.350021,0.00011403);(70.594382,0.00007954);(70.71189,0.00012633);(70.832179,0.00011367);(72.635264,0.00011615);(73.841613,0.00011752);(75.184672,0.00009318);(75.437557,0.00013585);(76.271136,0.00012781);(76.786192,0.00008908);(76.998823,0.00093661);(78.19067,0.00009322);(79.05465,0.00468915);(79.449315,0.00013002);(80.436194,0.0001456);(80.962936,0.00014544);(82.210907,0.00014677);(84.343877,0.00006544);(84.696927,0.00009392);(84.799397,0.00010027);(85.494346,0.00008909);(86.004025,0.00024286);(87.253889,0.00009134);(87.374431,0.00012237);(87.620082,0.00013505);(88.202522,0.00012504);(89.060326,0.00025858);(89.64864,0.00012433);(90.483521,0.00010701);(91.05472,0.00011995);(91.105461,0.00013175);(91.443282,0.00012304);(93.070259,0.00010474);(95.873831,0.00010403);(97.079107,0.00013531);(97.995006,0.003696);(98.592025,0.00011381);(98.975594,0.0395374);(99.488416,0.00163902);(99.979088,0.00054894);(100.486142,0.00012343);(101.003416,0.0661461);(101.058001,0.00011599);(103.054467,0.00556161);(105.069989,0.00477067);(107.000102,0.02168331);(107.989668,0.00015243);(107.997944,0.00141802);(108.493633,0.01338556);(108.995341,0.0001285);(109.064892,0.00008673);(109.491529,0.00039015);(110.007264,0.00013111);(112.780479,0.00009022);(113.070992,0.00197185);(113.78782,0.00010547);(113.79695,0.0001448);(114.007818,0.00032328);(115.086503,0.00012169);(116.00529,0.16858561);(116.070384,0.00008148);(116.506809,0.00596388);(116.98592,0.01961857);(117.003185,0.01626162);(117.007231,0.00114667);(117.498784,0.00623522);(118.001612,0.00419994);(118.041328,0.01209428);(118.086627,0.00017193);(121.064796,0.08303562);(122.068054,0.00556473);(123.012983,0.00863641);(124.010883,0.00038691);(125.010375,0.03960101);(125.503781,0.00014932);(125.511987,0.00082207);(126.00834,0.00288052);(127.006628,0.00018723);(128.720204,0.00007802);(129.365631,0.00010633);(129.489759,0.00014828);(131.001204,0.00023303);(132.018128,0.00058318);(132.10158,0.000136);(133.064529,0.12660177);(134.067874,0.01077607);(134.99618,0.00419484);(135.306873,0.00012803);(136.086375,0.00014609);(136.366192,0.00013386);(137.001361,0.00159508);(137.314963,0.00010017);(137.441679,0.00015058);(138.494819,0.00510179);(141.823871,0.00013551);(143.10845,0.00008032);(144.817527,0.00013609);(146.006518,0.01073193);(146.507284,0.00008787);(147.004362,0.00069926);(148.051546,0.00052773);(149.011811,0.00008267);(149.059391,0.01774994);(149.096581,0.00007845);(150.062855,0.00048161);(151.540832,0.00009407);(153.006831,0.00014871);(154.72102,0.00014286);(155.967468,0.00008374);(157.055824,0.00008233);(159.07608,0.00358292);(162.030802,0.00347853);(163.483408,0.00011186);(165.727418,0.00007984);(167.79929,0.00011399);(173.897901,0.00013951);(176.070244,0.00014632);(176.143264,0.00012214);(176.988951,0.00118684);(177.039892,0.00194544);(177.0543,1.0);(177.520796,0.00015779);(178.057569,0.10467242);(178.069758,0.00014364);(178.122227,0.00194134);(178.13316,0.0002362);(178.143213,0.00121965);(179.059738,0.00302464);(180.95408,0.00010124)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.122249,0.00046713);(52.259207,0.0003061);(52.45866,0.00027975);(52.590042,0.00045949);(53.681105,0.00044601);(54.762143,0.00030794);(54.811881,0.0004816);(56.571201,0.00029844);(56.96543,0.00089554);(58.145174,0.00045945);(59.301062,0.00044345);(59.825649,0.00037464);(60.138727,0.00023315);(60.292169,0.0002303);(60.974008,0.00028447);(61.44539,0.00047748);(62.388222,0.00046548);(62.470481,0.00027002);(62.582796,0.00049942);(62.817359,0.00047973);(64.690327,0.00036793);(64.851759,0.00051915);(65.52737,0.00049274);(66.932255,0.00023815);(67.044671,0.00050432);(67.522012,0.00045795);(67.608229,0.00022468);(69.55317,0.00026663);(70.065638,0.00134931);(71.333152,0.00024592);(73.222645,0.0004071);(74.579061,0.00053586);(75.056336,0.00022687);(75.430947,0.00046142);(75.912668,0.00042202);(76.835073,0.00048526);(76.998827,0.00171946);(78.047207,0.00054329);(79.054636,0.02428187);(79.448823,0.00055968);(80.05008,0.00030934);(80.988958,0.00033749);(82.419863,0.00023796);(86.004026,0.00417355);(86.662744,0.00049043);(89.074842,0.00036992);(90.046808,0.00094402);(91.054525,0.00419788);(91.307162,0.00034412);(91.553372,0.00044558);(92.289586,0.00030324);(93.07015,0.00068978);(95.008999,0.00358062);(95.04945,0.00149392);(95.248524,0.00035431);(96.206904,0.00055898);(97.994963,0.00129308);(98.975587,0.05600359);(99.488457,0.00690824);(99.978857,0.00061642);(100.076109,0.00031016);(100.722326,0.00107497);(101.003384,0.03865971);(101.663457,0.00031308);(102.278751,0.00053728);(103.054454,0.02833236);(104.05767,0.00051909);(105.070019,0.01355652);(107.000114,0.01957903);(107.989827,0.00035061);(107.998242,0.00086529);(108.493633,0.06762403);(109.430884,0.00035926);(109.491384,0.00212118);(113.071037,0.00244891);(115.501455,0.00040269);(116.005281,0.19312699);(116.50673,0.00128449);(116.986,0.03066279);(117.003154,0.01733666);(117.498815,0.03601291);(117.741042,0.00051415);(118.001596,0.00106549);(118.041397,0.05892771);(118.496427,0.00081363);(119.044555,0.00254554);(121.064787,0.37625045);(122.068058,0.03025339);(123.012985,0.00738504);(124.4041,0.00045115);(125.010399,0.04669623);(125.512314,0.00043621);(126.008236,0.00088526);(126.503851,0.00053737);(127.007067,0.00034498);(128.069486,0.00034065);(128.855432,0.00029503);(132.228022,0.00045246);(132.331454,0.0003818);(132.740475,0.00041798);(133.064601,0.30411434);(133.732424,0.0004835);(134.067864,0.02572389);(134.889861,0.00031974);(134.996243,0.00696113);(135.2613,0.0003055);(137.11215,0.00029445);(139.382076,0.00029716);(140.366127,0.00023944);(142.141274,0.00031859);(149.059394,0.0390838);(149.975363,0.00034686);(150.062709,0.00062716);(155.015772,0.00044705);(157.156361,0.00051);(159.076541,0.0004378);(162.030837,0.01384935);(162.532568,0.00046506);(164.290996,0.00032196);(171.2241,0.00053667);(171.452696,0.00048941);(177.054316,1.0);(178.057676,0.10713823);(179.059732,0.00105043);(179.339969,0.00045534)
LC-MS/MS	LC-ESI-QFT	Positive	high	View Spectrum	(50.965333,0.0003452);(51.033211,0.000368);(51.635659,0.00035334);(51.837451,0.00040226);(52.528023,0.00056554);(52.668304,0.00051845);(53.039246,0.02510418);(53.172418,0.00053794);(53.348527,0.00029112);(53.386686,0.00053494);(54.001235,0.00053324);(55.015333,0.00039941);(55.018518,0.00319198);(55.290966,0.0004364);(55.375736,0.00043846);(55.908603,0.00049212);(55.943676,0.00046731);(56.102989,0.0004115);(56.228925,0.00044161);(56.263133,0.00034616);(56.623108,0.00059265);(56.791135,0.00068538);(56.965437,0.0233544);(57.11866,0.0005816);(58.720497,0.00051622);(59.317592,0.00047405);(59.378191,0.00035288);(59.865206,0.00040815);(60.146685,0.00031835);(60.223345,0.00057579);(60.373485,0.0005482);(60.600788,0.00059022);(61.277449,0.00141271);(61.279965,0.00062405);(61.28058,0.00066192);(61.281001,0.0007996);(63.006228,0.00053513);(63.279142,0.0003186);(64.254829,0.00039334);(64.946462,0.0004126);(65.03913,0.00262768);(65.662989,0.00032001);(66.047014,0.00705427);(66.803552,0.00061845);(67.600178,0.00031785);(67.820716,0.00064386);(69.373107,0.00060582);(70.06568,0.01214975);(70.441917,0.00066406);(70.715832,0.00036522);(70.766197,0.00036639);(70.975917,0.000357);(71.952452,0.00088755);(72.641961,0.00034442);(74.735595,0.00038353);(75.444671,0.00062246);(76.771027,0.00036651);(76.998814,0.01631551);(77.039162,0.0039724);(78.04696,0.01069753);(78.174859,0.00061129);(78.358414,0.00027958);(79.021563,0.00109495);(79.0547,0.06179599);(80.058155,0.00065866);(80.496364,0.00062262);(81.194732,0.00037653);(82.299501,0.00051998);(83.369907,0.00064591);(83.620809,0.00043063);(84.22093,0.00049774);(86.003941,0.09444175);(87.001954,0.00055743);(88.00021,0.00048522);(88.79576,0.00043712);(89.038905,0.00071696);(89.614347,0.00047488);(90.046749,0.02674605);(90.483471,0.00060029);(90.65612,0.00042648);(90.792363,0.00050891);(91.054567,0.09039435);(91.511943,0.00054847);(91.604088,0.00058757);(92.057984,0.00134978);(93.011819,0.00081248);(93.034276,0.00040442);(93.070108,0.00515112);(94.041623,0.00039349);(94.074081,0.00044363);(94.892014,0.00033985);(95.009099,0.05985655);(95.049388,0.05622832);(96.006933,0.00063114);(96.052675,0.00044428);(97.235411,0.00065691);(98.868746,0.00040296);(98.975595,0.05044096);(99.488462,0.01871565);(99.595156,0.00029506);(101.003369,0.00166691);(101.087331,0.00060109);(101.230902,0.00033347);(101.485185,0.00040991);(103.054398,0.06689606);(104.057644,0.00208677);(104.438736,0.00039994);(104.663738,0.00062905);(105.044886,0.010767);(105.07004,0.02706496);(105.148956,0.00040227);(106.041421,0.01233107);(107.000102,0.00387027);(107.049438,0.00060216);(107.989563,0.00057669);(108.493593,0.13334149);(108.995398,0.00062812);(109.064897,0.00058474);(109.49152,0.01203163);(109.495672,0.00037702);(110.490201,0.00046262);(111.732915,0.00045724);(111.926804,0.00040236);(112.837947,0.00036995);(115.50134,0.00180062);(116.005281,0.04739322);(116.506412,0.00052145);(116.985872,0.02269221);(117.002947,0.00079255);(117.498793,0.07275058);(118.000808,0.00104875);(118.04127,0.14418121);(118.496702,0.00302415);(119.044585,0.00878155);(121.064723,1.0);(122.068066,0.08669276);(122.452291,0.00037588);(122.824084,0.00037301);(125.010499,0.00674859);(126.40745,0.00069266);(133.064557,0.23579317);(134.035931,0.04787004);(134.067968,0.0184314);(134.996249,0.00535528);(135.038962,0.00062124);(135.593783,0.00051057);(135.953506,0.0006321);(138.01564,0.00049448);(139.029181,0.00066359);(140.316292,0.00032146);(145.977239,0.00046435);(147.05918,0.00057541);(149.059461,0.02870562);(151.641087,0.00032538);(153.774612,0.00054078);(159.227598,0.00043996);(162.030764,0.05152558);(162.927074,0.00033878);(165.829315,0.00061632);(167.109691,0.00058028);(177.054174,0.228785);(177.252589,0.00056539);(178.057511,0.02292725);(180.756579,0.0007193);(180.868824,0.00058555);(180.927483,0.00065248)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(51.017,0.014);(51.3,0.013);(51.68,0.011);(51.931,0.012);(52.218,0.011);(52.927,0.011);(53.229,0.012);(53.864,0.011);(54.255,0.011);(55.649,0.012);(57.161,0.011);(57.914,0.011);(58.526,0.012);(58.544,0.011);(58.797,0.011);(59.183,0.011);(59.285,0.011);(59.467,0.012);(59.49,0.011);(59.911,0.011);(60.062,0.011);(60.528,0.011);(60.651,0.013);(60.759,0.011);(61.147,0.011);(62.33,0.012);(63.103,0.014);(64.023,0.012);(64.923,0.013);(65.269,0.012);(65.402,0.011);(65.654,0.011);(65.899,0.018);(66.1,0.013);(66.25,0.011);(66.762,0.013);(67.41,0.012);(67.602,0.012);(68.228,0.014);(68.418,0.012);(68.483,0.015);(68.889,0.018);(69.147,0.013);(69.657,0.013);(69.712,0.011);(69.895,0.015);(71.284,0.012);(71.857,0.012);(72.184,0.012);(72.255,0.013);(72.345,0.014);(72.397,0.011);(73.506,0.011);(73.811,0.013);(74.253,0.011);(74.69,0.011);(74.747,0.013);(74.891,0.013);(75.45,0.014);(76.509,0.014);(77.2,0.011);(78.063,0.011);(78.388,0.012);(78.427,0.012);(78.467,0.011);(78.955,0.037);(78.988,0.011);(79.016,0.011);(79.83,0.012);(80.369,0.011);(80.445,0.014);(80.562,0.011);(80.582,0.013);(80.926,0.011);(81.234,0.012);(81.271,0.012);(81.372,0.012);(82.19,0.012);(82.511,0.011);(82.626,0.017);(83.105,0.017);(83.126,0.011);(83.187,0.013);(83.206,0.012);(83.394,0.014);(83.701,0.011);(83.887,0.013);(83.923,0.012);(84.131,0.011);(84.465,0.012);(84.94,0.014);(85.272,0.015);(85.396,0.011);(85.913,0.017);(85.981,0.012);(86.018,0.011);(86.098,0.013);(86.968,0.015);(86.974,0.194);(86.979,0.123);(86.99,0.013);(86.996,0.025);(87.008,0.021);(87.019,0.02);(87.036,0.017);(87.053,0.02);(87.067,0.012);(87.085,0.011);(87.254,0.016);(87.476,0.012);(87.587,0.012);(87.858,0.011);(87.889,0.012);(88.242,0.014);(88.318,0.014);(88.652,0.011);(88.738,0.012);(88.847,0.011);(89.702,0.011);(89.731,0.02);(90.145,0.016);(90.308,0.014);(90.59,0.011);(91.03,0.011);(91.334,0.016);(91.346,0.012);(91.381,0.011);(91.777,0.012);(91.791,0.016);(92.583,0.011);(92.632,0.019);(92.716,0.011);(93.009,0.015);(93.176,0.015);(93.224,0.014);(93.314,0.011);(93.894,0.013);(93.945,0.011);(94.095,0.011);(94.249,0.014);(94.272,0.011);(94.535,0.011);(95.065,0.011);(95.248,0.016);(95.438,0.012);(95.498,0.011);(95.702,0.042);(95.755,0.015);(96.416,0.012);(96.471,0.012);(96.687,0.018);(96.733,0.016);(96.824,0.011);(96.997,0.013);(97.172,0.013);(97.381,0.012);(97.519,0.014);(98.506,0.012);(99.241,0.018);(99.788,0.016);(100.397,0.013);(101.12,0.012);(102.379,0.015);(102.98,0.041);(103.605,0.015);(104.057,0.013);(105.322,0.014);(105.564,0.013);(106.432,0.015);(106.52,0.012);(106.596,0.014);(107.766,0.014);(107.851,0.015);(108.617,0.013);(108.84,0.016);(109.16,0.012);(110.345,0.015);(110.796,0.013);(110.934,0.012);(111.009,0.012);(111.464,0.02);(111.958,0.013);(112.106,0.012);(112.332,0.012);(112.991,0.02);(113.058,0.017);(113.683,0.012);(114.113,0.013);(114.588,0.015);(114.693,0.013);(115.64,0.014);(116.281,0.022);(116.732,0.011);(117.011,0.012);(117.33,0.012);(117.488,0.016);(117.504,0.022);(117.949,0.018);(118.095,0.014);(118.671,0.016);(118.962,0.015);(120.184,0.014);(121.414,0.016);(122.137,0.012);(122.606,0.012);(123.164,0.015);(123.209,0.014);(123.26,0.012);(123.329,0.014);(123.404,0.014);(123.58,0.012);(123.613,0.013);(123.639,0.012);(124.018,0.012);(124.324,0.012);(124.612,0.012);(124.766,0.014);(125.276,0.016);(125.857,0.012);(125.921,0.013);(126.197,0.014);(126.666,0.014);(126.95,0.014);(127.074,0.014);(127.227,0.013);(127.472,0.013);(127.954,0.012);(128.549,0.014);(128.994,0.013);(129.093,0.015);(129.423,0.012);(129.914,0.014);(129.985,0.012);(130.098,0.012);(130.78,0.015);(130.872,0.036);(130.966,1.0);(130.97,0.54);(130.991,0.035);(131.003,0.018);(131.02,0.064);(131.031,0.081);(131.04,0.016);(131.053,0.079);(131.065,0.026);(131.074,0.02);(131.099,0.027);(131.118,0.012);(131.128,0.02);(131.135,0.017);(131.16,0.024);(131.18,0.015);(131.192,0.015);(131.205,0.013);(131.223,0.018);(131.236,0.015);(131.257,0.024);(131.266,0.016);(131.317,0.012);(131.333,0.015);(131.354,0.013);(131.363,0.016);(131.398,0.012);(131.415,0.017);(131.427,0.013);(131.468,0.025);(131.492,0.015);(131.498,0.02);(131.534,0.014);(131.552,0.019);(131.578,0.014);(131.634,0.012);(131.668,0.012);(131.695,0.014);(131.765,0.014);(131.895,0.012);(132.019,0.026);(132.039,0.016);(132.133,0.012);(132.396,0.013);(132.442,0.014);(132.895,0.013);(133.035,0.013);(133.152,0.013);(133.281,0.017);(133.613,0.023);(133.646,0.013);(133.929,0.012);(134.192,0.015);(134.271,0.014);(134.327,0.012);(134.354,0.012);(134.699,0.012);(135.108,0.015);(135.15,0.014);(135.227,0.012);(135.328,0.011);(135.899,0.012);(136.02,0.012);(136.087,0.012);(136.165,0.014);(136.2,0.013);(136.396,0.014);(136.657,0.012);(136.782,0.011);(137.5,0.013);(138.084,0.02);(138.176,0.021);(138.211,0.015);(138.492,0.013);(138.787,0.016);(139.87,0.022);(139.898,0.012);(140.471,0.012);(140.527,0.014);(140.706,0.011);(141.246,0.012);(141.432,0.012);(141.458,0.012);(144.193,0.016);(144.395,0.013);(144.592,0.013);(145.144,0.014);(145.328,0.014);(145.682,0.012);(145.863,0.014);(145.995,0.013);(146.856,0.014);(146.906,0.013);(146.955,0.014);(146.966,0.024);(146.98,0.015);(147.045,0.05);(147.057,0.013);(147.104,0.012);(148.504,0.017);(149.562,0.015);(149.597,0.012);(150.063,0.014);(150.167,0.013);(150.24,0.014);(150.53,0.013);(150.644,0.013);(150.796,0.014);(150.827,0.013);(151.471,0.012);(151.501,0.015);(151.526,0.015);(151.615,0.012);(151.707,0.015);(151.918,0.016);(152.525,0.013);(152.847,0.012);(152.949,0.013);(153.017,0.012);(153.568,0.014);(154.075,0.013);(154.102,0.012);(154.309,0.014);(154.402,0.012);(154.792,0.012);(155.2,0.012);(155.561,0.012);(156.188,0.012);(156.39,0.02);(156.613,0.018);(156.82,0.016);(156.928,0.018);(156.95,0.014);(157.006,0.013);(157.594,0.012);(158.11,0.014);(158.861,0.012);(160.312,0.016);(160.751,0.015);(162.285,0.014);(162.477,0.016);(162.642,0.022);(162.7,0.015);(162.746,0.014);(162.947,0.014);(163.169,0.019);(163.348,0.012);(163.611,0.015);(163.837,0.012);(164.576,0.012);(165.062,0.016);(165.106,0.012);(165.383,0.016);(165.559,0.012);(165.76,0.012);(166.05,0.014);(166.22,0.013);(166.83,0.016);(167.194,0.014);(167.877,0.012);(167.893,0.016);(168.177,0.014);(168.241,0.012);(169.169,0.012);(170.022,0.012);(170.769,0.013);(171.008,0.02);(171.059,0.013);(171.44,0.016);(171.898,0.012);(171.965,0.012);(172.129,0.012);(172.4,0.012);(172.502,0.012);(172.573,0.015);(172.714,0.017);(173.198,0.014);(173.26,0.018);(174.82,0.058);(174.832,0.133);(174.856,0.032);(174.883,0.024);(174.902,0.024);(174.924,0.013);(174.947,0.036);(174.956,0.197);(174.974,0.037);(174.987,0.037);(174.999,0.06);(175.026,0.024);(175.034,0.014);(175.054,0.018);(175.072,0.033);(175.083,0.024)
LC-MS/MS	LC-ESI-QTOF	Negative	medium	View Spectrum	(50.03,0.016);(50.591,0.015);(51.213,0.022);(51.649,0.015);(52.685,0.019);(52.958,0.018);(53.915,0.015);(54.13,0.023);(54.14,0.02);(54.204,0.017);(54.352,0.016);(54.84,0.016);(54.983,0.016);(56.389,0.019);(56.936,0.018);(58.072,0.017);(58.188,0.018);(58.227,0.016);(58.987,0.015);(59.016,0.017);(59.43,0.018);(60.037,0.015);(60.668,0.015);(60.818,0.019);(61.092,0.017);(61.329,0.017);(62.303,0.016);(62.588,0.016);(63.18,0.017);(63.809,0.02);(64.037,0.016);(64.588,0.016);(65.299,0.017);(65.705,0.016);(65.892,0.019);(66.153,0.014);(66.332,0.015);(66.348,0.014);(66.726,0.014);(67.458,0.021);(67.734,0.015);(68.127,0.019);(68.424,0.015);(69.012,0.019);(69.047,0.016);(69.177,0.015);(70.008,0.019);(71.044,0.026);(71.829,0.016);(71.879,0.019);(72.17,0.015);(73.363,0.015);(74.551,0.017);(74.958,0.015);(75.083,0.053);(75.547,0.015);(75.785,0.015);(75.831,0.014);(76.175,0.014);(76.322,0.014);(76.817,0.02);(76.825,0.02);(76.912,0.015);(77.519,0.015);(77.689,0.014);(78.059,0.014);(78.217,0.017);(78.31,0.015);(79.138,0.014);(79.223,0.014);(79.696,0.014);(79.824,0.014);(79.894,0.019);(79.989,0.022);(80.467,0.019);(81.208,0.015);(81.357,0.015);(81.496,0.017);(82.475,0.015);(82.681,0.023);(83.436,0.015);(83.677,0.015);(83.968,0.02);(84.045,0.017);(84.101,0.015);(84.192,0.015);(84.222,0.046);(84.305,0.014);(84.956,0.026);(84.978,0.031);(85.046,0.014);(85.209,0.015);(86.078,0.014);(86.974,0.458);(86.978,1.0);(87.006,0.036);(87.011,0.099);(87.022,0.023);(87.028,0.055);(87.036,0.048);(87.047,0.015);(87.062,0.039);(87.069,0.016);(87.085,0.024);(87.112,0.037);(87.152,0.015);(87.2,0.016);(87.214,0.026);(87.254,0.017);(87.45,0.02);(87.477,0.014);(87.565,0.017);(87.587,0.016);(87.674,0.015);(87.751,0.014);(87.824,0.015);(88.283,0.02);(88.306,0.014);(88.475,0.016);(88.517,0.016);(88.603,0.016);(88.619,0.016);(88.778,0.015);(88.924,0.015);(88.973,0.021);(89.035,0.018);(89.137,0.019);(89.498,0.017);(90.683,0.02);(90.759,0.015);(90.914,0.021);(91.038,0.015);(91.044,0.017);(91.064,0.021);(91.098,0.016);(91.366,0.017);(91.718,0.015);(91.848,0.015);(92.36,0.015);(92.955,0.016);(93.994,0.016);(94.478,0.015);(95.289,0.016);(95.759,0.018);(95.816,0.02);(96.728,0.016);(96.779,0.015);(96.891,0.015);(97.018,0.015);(97.141,0.021);(97.308,0.017);(97.791,0.018);(98.344,0.016);(98.647,0.014);(98.673,0.017);(99.051,0.017);(99.286,0.015);(100.705,0.02);(100.793,0.016);(100.932,0.02);(101.719,0.018);(101.833,0.018);(102.197,0.014);(102.654,0.019);(102.947,0.036);(102.961,0.015);(102.968,0.029);(102.975,0.115);(102.998,0.016);(103.048,0.014);(103.174,0.014);(103.742,0.021);(104.07,0.014);(104.1,0.015);(104.465,0.014);(104.489,0.014);(104.905,0.017);(105.09,0.014);(105.82,0.014);(105.836,0.014);(106.162,0.014);(106.768,0.015);(106.909,0.016);(106.978,0.014);(107.055,0.016);(107.072,0.016);(107.1,0.024);(107.163,0.016);(107.404,0.017);(108.383,0.02);(108.589,0.015);(108.741,0.015);(109.209,0.017);(109.514,0.017);(109.937,0.015);(110.05,0.016);(110.197,0.015);(110.29,0.018);(110.483,0.015);(110.628,0.015);(111.441,0.02);(111.544,0.015);(112.172,0.016);(112.47,0.029);(112.61,0.018);(113.105,0.017);(113.113,0.017);(113.195,0.016);(113.357,0.014);(113.397,0.015);(113.523,0.022);(114.204,0.018);(114.741,0.015);(114.763,0.015);(114.781,0.018);(114.999,0.029);(115.061,0.015);(115.076,0.022);(115.278,0.015);(115.806,0.015);(115.859,0.015);(116.233,0.021);(116.286,0.015);(116.83,0.018);(117.1,0.017);(117.112,0.017);(117.193,0.015);(117.729,0.018);(117.862,0.014);(118.168,0.016);(118.343,0.016);(118.77,0.014);(118.97,0.02);(120.807,0.015);(120.872,0.017);(121.096,0.016);(122.172,0.018);(122.568,0.017);(122.687,0.023);(123.204,0.017);(123.33,0.016);(123.693,0.016);(124.381,0.015);(124.651,0.017);(124.883,0.017);(125.08,0.015);(125.124,0.016);(125.444,0.02);(125.494,0.015);(125.625,0.014);(126.006,0.014);(126.204,0.014);(126.383,0.021);(126.714,0.016);(126.987,0.014);(127.067,0.014);(127.323,0.015);(127.546,0.014);(127.624,0.016);(127.745,0.015);(127.879,0.02);(128.545,0.016);(128.945,0.026);(128.966,0.017);(128.977,0.031);(129.096,0.019);(129.126,0.015);(129.162,0.023);(129.257,0.021);(129.617,0.015);(129.86,0.015);(130.067,0.016);(130.389,0.015);(130.459,0.018);(130.52,0.017);(130.568,0.023);(130.6,0.015);(130.713,0.019);(130.869,0.032);(130.963,0.146);(130.972,0.22);(130.982,0.054);(130.992,0.071);(131.018,0.028);(131.028,0.018);(131.054,0.018);(131.097,0.019);(131.124,0.017);(131.178,0.03);(131.221,0.019);(131.279,0.016);(131.334,0.015);(131.408,0.026);(131.651,0.016);(131.884,0.02);(132.008,0.025);(132.022,0.089);(132.056,0.017);(132.066,0.015);(132.343,0.02);(132.637,0.017);(132.799,0.016);(132.939,0.022);(133.41,0.016);(133.686,0.019);(133.823,0.019);(133.884,0.022);(133.966,0.016);(134.246,0.015);(134.645,0.016);(135.048,0.022);(135.79,0.021);(137.102,0.017);(137.962,0.025);(138.521,0.025);(138.934,0.052);(139.136,0.021);(139.225,0.015);(139.304,0.015);(140.047,0.015);(140.526,0.015);(140.707,0.015);(140.993,0.02);(141.641,0.022);(142.031,0.017);(142.286,0.015);(142.888,0.022);(142.92,0.02);(143.095,0.016);(143.325,0.019);(145.331,0.017);(145.43,0.02);(145.498,0.017);(145.944,0.016);(146.407,0.015);(146.574,0.016);(146.951,0.015);(146.982,0.016);(147.041,0.02);(147.148,0.022);(147.879,0.015);(148.082,0.017);(148.227,0.016);(148.323,0.02);(148.548,0.018);(148.813,0.015);(149.372,0.017);(150.627,0.016);(150.671,0.029);(150.715,0.017);(151.651,0.021);(151.864,0.021);(152.11,0.018);(152.494,0.015);(153.171,0.015);(153.745,0.017);(154.468,0.019);(154.503,0.015);(154.857,0.016);(155.095,0.014);(155.119,0.015);(155.246,0.015);(155.465,0.021);(155.991,0.032);(156.39,0.016);(156.93,0.044);(156.94,0.039);(156.978,0.014);(157.002,0.015);(157.32,0.016);(157.429,0.016);(157.798,0.018);(158.076,0.015);(158.143,0.017);(158.657,0.015);(158.963,0.024);(159.98,0.023);(160.612,0.015);(160.91,0.017);(161.146,0.016);(162.353,0.015);(162.483,0.016);(162.565,0.022);(162.97,0.018);(163.448,0.018);(164.058,0.017);(164.21,0.021);(164.287,0.02);(164.35,0.015);(164.387,0.021);(164.448,0.015);(164.508,0.015);(164.686,0.02);(165.284,0.017);(165.404,0.022);(165.64,0.015);(165.798,0.017);(165.976,0.016);(167.169,0.018);(167.987,0.019);(168.079,0.016);(168.419,0.015);(168.96,0.015);(169.139,0.02);(169.333,0.016);(169.81,0.016);(169.89,0.015);(170.318,0.016);(170.37,0.018);(170.874,0.016);(170.924,0.016);(171.006,0.021);(171.132,0.017);(171.184,0.015);(171.407,0.023);(171.888,0.016);(172.038,0.014);(172.344,0.032);(172.611,0.022);(172.693,0.014);(172.757,0.015);(173.318,0.017);(173.416,0.015);(173.944,0.015);(173.972,0.015);(174.107,0.015);(174.536,0.016);(174.656,0.017);(174.737,0.015);(174.82,0.037);(174.859,0.022);(174.953,0.019);(174.966,0.023);(174.987,0.019);(175.006,0.016);(175.062,0.018)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(98.975,0.023);(118.04,0.011);(120.923,0.074);(121.062,0.102);(132.958,0.041);(133.062,0.099);(149.053,0.024);(176.91,0.015);(177.052,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(57.934,0.051);(77.036,0.074);(77.038,0.04);(78.044,0.019);(79.02,0.02);(79.053,0.059);(90.043,0.016);(90.046,0.031);(91.052,0.09);(98.974,0.034);(103.049,0.012);(103.053,0.063);(105.067,0.022);(106.038,0.012);(118.039,0.132);(120.922,0.038);(121.063,1.0);(121.158,0.032);(132.956,0.021);(133.062,0.301);(134.032,0.078);(149.055,0.055);(161.887,0.016);(162.028,0.056);(177.052,0.441)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(50.44,0.026);(50.47,0.03);(50.997,0.026);(51.201,0.027);(51.311,0.028);(51.567,0.027);(51.726,0.028);(52.078,0.026);(52.094,0.022);(52.722,0.032);(52.818,0.023);(53.09,0.023);(53.38,0.054);(53.842,0.029);(53.941,0.028);(54.245,0.026);(54.784,0.026);(55.128,0.023);(55.752,0.033);(55.901,0.025);(56.797,0.025);(56.961,0.03);(57.198,0.023);(57.708,0.022);(57.974,0.03);(58.216,0.024);(58.645,0.045);(58.735,0.031);(58.938,0.03);(59.062,0.023);(60.567,0.024);(61.082,0.024);(61.167,0.044);(61.666,0.036);(61.905,0.023);(62.023,0.024);(62.421,0.031);(62.752,0.023);(63.074,0.022);(63.216,0.024);(63.504,0.025);(63.561,0.029);(63.664,0.024);(64.2,0.027);(64.964,0.024);(65.203,0.029);(65.346,0.024);(65.395,0.03);(65.492,0.027);(65.644,0.023);(66.71,0.031);(66.923,0.024);(66.997,0.025);(69.877,0.028);(70.203,0.023);(71.362,0.031);(72.218,0.026);(72.251,0.026);(72.575,0.042);(72.81,0.027);(72.856,0.023);(73.596,0.033);(74.066,0.03);(74.307,0.025);(74.335,0.031);(75.303,0.046);(75.458,0.029);(75.557,0.023);(76.047,0.025);(76.924,0.024);(76.97,0.043);(77.969,0.048);(78.96,0.04);(78.995,0.024);(79.142,0.023);(79.293,0.024);(79.772,0.026);(80.131,0.025);(81.206,0.024);(81.282,0.023);(82.534,0.027);(82.597,0.023);(82.858,0.031);(82.916,0.025);(83.286,0.024);(83.294,0.028);(83.666,0.025);(84.402,0.023);(85.105,0.024);(85.506,0.028);(85.77,0.028);(85.93,0.023);(86.343,0.023);(86.585,0.024);(86.97,0.113);(86.98,0.113);(86.986,0.101);(87.0,0.033);(87.012,0.038);(87.21,0.024);(87.377,0.024);(87.427,0.038);(87.434,0.025);(87.558,0.029);(87.805,0.024);(88.371,0.036);(88.377,0.026);(88.481,0.027);(88.588,0.028);(89.166,0.027);(89.618,0.026);(89.779,0.033);(90.034,0.024);(90.491,0.023);(91.124,0.027);(91.278,0.03);(91.662,0.034);(91.73,0.025);(92.289,0.025);(93.023,0.028);(93.216,0.031);(93.709,0.024);(94.338,0.023);(94.381,0.03);(94.469,0.023);(94.514,0.026);(94.523,0.025);(95.135,0.024);(95.277,0.023);(95.607,0.025);(96.193,0.043);(96.336,0.026);(96.741,0.032);(96.77,0.026);(97.786,0.043);(97.994,0.027);(98.083,0.025);(98.504,0.025);(99.269,0.025);(99.592,0.031);(99.922,0.025);(99.97,0.043);(100.215,0.023);(100.543,0.025);(100.801,0.023);(100.923,0.028);(100.982,0.023);(101.016,0.038);(101.349,0.061);(102.037,0.027);(102.054,0.033);(102.21,0.027);(102.468,0.026);(102.552,0.029);(102.743,0.036);(102.874,0.055);(102.921,0.027);(102.97,0.026);(103.445,0.032);(103.478,0.033);(104.038,0.024);(104.572,0.034);(105.185,0.025);(105.337,0.03);(105.424,0.032);(105.544,0.03);(105.633,0.032);(105.715,0.022);(105.784,0.031);(106.303,0.023);(106.332,0.027);(106.676,0.026);(107.586,0.037);(107.628,0.023);(108.69,0.025);(108.75,0.026);(108.789,0.025);(109.657,0.025);(109.95,0.025);(110.142,0.023);(110.397,0.023);(110.509,0.033);(110.575,0.023);(111.57,0.023);(111.856,0.031);(111.944,0.037);(112.208,0.024);(112.303,0.025);(112.419,0.034);(113.696,0.025);(113.864,0.043);(113.96,0.027);(114.007,0.035);(114.379,0.026);(116.287,0.023);(116.347,0.024);(116.367,0.023);(117.006,0.028);(117.034,0.024);(117.194,0.026);(117.538,0.026);(118.178,0.028);(118.619,0.028);(118.884,0.023);(118.94,0.028);(118.994,0.026);(119.152,0.054);(119.301,0.034);(119.767,0.029);(119.98,0.034);(120.131,0.023);(120.343,0.032);(120.381,0.024);(120.41,0.023);(120.851,0.027);(121.3,0.029);(121.485,0.037);(121.588,0.027);(122.124,0.031);(122.137,0.025);(122.483,0.025);(122.588,0.026);(122.767,0.031);(122.858,0.031);(122.941,0.032);(123.331,0.033);(123.346,0.024);(123.366,0.03);(123.434,0.03);(123.604,0.025);(124.378,0.027);(125.348,0.025);(125.552,0.023);(125.709,0.027);(125.741,0.025);(127.085,0.025);(127.694,0.023);(127.807,0.025);(127.969,0.028);(127.999,0.023);(129.069,0.027);(129.148,0.04);(129.327,0.026);(129.783,0.025);(130.191,0.03);(130.371,0.023);(130.496,0.023);(130.714,0.023);(130.857,0.026);(130.899,0.024);(130.948,0.025);(130.965,0.028);(130.982,0.025);(131.523,0.035);(131.988,0.023);(132.116,0.028);(132.386,0.026);(132.424,0.024);(132.509,0.025);(133.079,0.024);(133.687,0.023);(134.517,0.024);(134.831,0.023);(134.893,0.023);(134.907,0.026);(134.932,0.024);(135.58,0.024);(135.814,0.027);(135.841,0.027);(136.098,0.026);(136.134,0.034);(136.543,0.037);(136.998,0.023);(137.033,0.027);(137.176,0.024);(137.228,0.033);(137.256,0.024);(137.52,0.024);(138.062,0.028);(138.3,0.032);(138.923,0.028);(138.935,0.048);(139.012,0.029);(139.126,0.022);(139.803,0.026);(139.98,0.026);(140.289,0.027);(140.315,0.03);(140.47,0.023);(140.713,0.025);(140.724,0.03);(141.67,0.026);(142.06,0.027);(142.111,0.024);(142.276,0.027);(142.29,0.023);(142.574,0.023);(142.723,0.037);(143.073,0.024);(143.621,0.024);(144.226,0.025);(144.296,0.026);(144.611,0.026);(144.72,0.036);(146.398,0.024);(146.768,0.031);(147.262,0.029);(147.334,0.025);(147.342,0.029);(147.628,0.027);(147.805,0.023);(148.198,0.022);(148.389,0.023);(148.499,0.03);(148.69,0.027);(149.471,0.025);(149.631,0.03);(149.897,0.024);(149.967,0.023);(149.991,0.028);(150.15,0.023);(150.343,0.026);(150.394,0.024);(150.933,0.025);(150.944,0.026);(151.035,0.053);(151.546,0.026);(151.81,0.024);(151.839,0.038);(152.27,0.03);(152.535,0.032);(152.958,0.023);(153.647,0.029);(153.911,0.027);(154.087,0.039);(154.103,0.033);(154.277,0.031);(154.331,0.034);(154.763,0.037);(154.787,0.023);(155.357,0.027);(155.486,0.023);(155.871,0.031);(156.816,0.027);(157.012,0.023);(157.223,0.029);(157.617,0.026);(158.024,0.037);(158.245,0.026);(158.611,0.029);(158.846,0.028);(158.941,0.024);(159.494,0.034);(159.608,0.024);(159.653,0.023);(159.832,0.026);(160.147,0.029);(160.386,0.027);(160.996,0.023);(161.1,0.036);(161.663,0.026);(161.725,0.024);(161.996,0.025);(162.288,0.023);(162.467,0.023);(162.936,0.035);(163.231,0.028);(163.294,0.023);(163.303,0.025);(163.439,0.023);(163.53,0.033);(164.059,0.03);(164.344,0.026);(164.393,0.028);(164.493,0.026);(164.95,0.026);(165.194,0.03);(165.436,0.023);(165.519,0.024);(165.592,0.026);(165.882,0.051);(166.093,0.023);(166.414,0.029);(166.445,0.036);(166.967,0.024);(167.231,0.033);(167.296,0.023);(167.52,0.032);(169.36,0.023);(169.41,0.028);(169.961,0.032);(170.146,0.024);(170.215,0.023);(170.578,0.025);(170.762,0.025);(171.364,0.025);(171.474,0.023);(171.583,0.024);(171.693,0.052);(171.924,0.024);(172.536,0.027);(172.611,0.024);(172.643,0.029);(172.987,0.024);(173.14,0.03);(173.659,0.023);(173.841,0.025);(174.812,0.042);(174.854,0.024)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(51.021,0.019);(51.022,0.1);(52.028,0.016);(52.03,0.034);(52.032,0.015);(53.936,0.013);(54.946,0.015);(57.934,0.093);(57.938,0.013);(65.035,0.029);(65.038,0.103);(65.041,0.016);(68.962,0.014);(70.939,0.013);(77.037,0.652);(77.115,0.016);(78.045,1.0);(78.122,0.034);(79.02,0.014);(79.051,0.015);(89.037,0.125);(90.044,0.076);(90.047,0.03);(91.052,0.331);(98.895,0.039);(103.052,0.014);(105.032,0.012);(106.039,0.128);(106.043,0.019);(107.044,0.016);(118.035,0.017);(118.04,0.016);(121.063,0.229);(134.034,0.13)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.0019249349);(44.99765427,0.0289669664);(51.0234751,0.0009717247);(55.01838972,0.0000154358);(57.03403978,0.3734371913);(67.01838972,0.0000244704);(77.03912516,0.0002551852);(81.03403978,0.000041815);(83.04968984,0.0000357579);(91.01838972,0.0002636649);(95.01330434,0.0001167402);(97.0289544,0.0000313718);(103.0547752,0.0009715909);(105.0340398,0.0003014565);(107.0496898,0.0002737021);(109.0289544,0.0000190546);(121.0289544,0.3480747007);(133.0289544,0.0006556419);(133.0653399,0.2008440077);(147.0446045,1.393428903);(151.0395191,0.2242244974);(177.0551691,97.42512119)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(27.0234751,0.0005829831);(44.99765427,0.019108587);(51.0234751,0.0186255612);(55.01838972,0.0002235417);(57.03403978,0.2742982767);(67.01838972,0.0012317737);(77.03912516,0.0249282077);(81.03403978,0.0017331832);(83.04968984,0.0061012938);(91.01838972,0.0108632007);(95.01330434,0.0000479938);(97.0289544,0.0006093143);(103.0547752,0.074009308);(105.0340398,0.0241419188);(107.0496898,0.025266606);(109.0289544,0.001866201);(121.0289544,0.5808128136);(133.0289544,0.0048378976);(133.0653399,8.109315706);(147.0446045,1.4852377);(151.0395191,0.5803008936);(177.0551691,88.75585704)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,0.3927287172);(44.99765427,0.8731985042);(51.0234751,5.3888798);(55.01838972,0.7109236278);(57.03403978,2.415238697);(67.01838972,0.1059329013);(77.03912516,11.65188785);(81.03403978,0.2945717442);(83.04968984,0.2632049124);(91.01838972,2.01077684);(95.01330434,1.104212609);(97.0289544,0.1793615638);(103.0547752,10.49891639);(105.0340398,1.512142098);(107.0496898,2.82219708);(109.0289544,0.4438788599);(121.0289544,15.59488134);(133.0289544,0.8157800704);(133.0653399,16.907069);(147.0446045,15.10222596);(151.0395191,2.394906694);(177.0551691,8.517084742)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.0003345661);(29.00273965,0.016941737);(41.00273965,0.0023443014);(49.00782503,0.0008490118);(55.01838972,0.113232229);(65.00273965,0.0001865411);(68.99765427,0.0000002572);(75.0234751,0.0005274895);(79.01838972,0.0021412522);(81.03403978,0.0003528384);(89.00273965,0.0000003794);(92.99765427,0.00001223);(95.01330434,0.0001433824);(101.0391252,0.0838200296);(103.0183897,0.0059799349);(105.0340398,0.0379802427);(107.0133043,0.0016881337);(119.0133043,0.0157827858);(131.0133043,0.0002621831);(131.0496898,9.814280508);(145.0289544,0.9633297303);(149.023869,0.966149018);(175.0395191,87.97366122)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(25.00782503,0.0004228664);(29.00273965,0.0564885228);(41.00273965,0.0349589645);(49.00782503,0.0087547317);(55.01838972,0.0828713097);(65.00273965,0.0031508395);(68.99765427,0.0048957953);(75.0234751,0.0881013618);(79.01838972,0.0075858381);(81.03403978,0.0139853935);(89.00273965,0.001408525);(92.99765427,0.0015582828);(95.01330434,0.0020630748);(101.0391252,0.6655540988);(103.0183897,0.1545533955);(105.0340398,0.2521451047);(107.0133043,0.0035764086);(119.0133043,1.176619554);(131.0133043,0.003395151);(131.0496898,21.79318326);(145.0289544,3.227647733);(149.023869,1.812673993);(175.0395191,70.6044058)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(25.00782503,0.4914254938);(29.00273965,0.1418326289);(41.00273965,3.109746142);(49.00782503,2.558836757);(55.01838972,8.986836151);(65.00273965,0.7858569743);(68.99765427,0.1248981242);(75.0234751,5.372532832);(79.01838972,0.7994423238);(81.03403978,0.342407192);(89.00273965,0.7148236884);(92.99765427,0.1844722062);(95.01330434,0.1785088689);(101.0391252,18.86835386);(103.0183897,4.491751152);(105.0340398,7.611051385);(107.0133043,0.1666377691);(119.0133043,5.926927584);(131.0133043,0.1801161372);(131.0496898,22.65871769);(145.0289544,5.841512878);(149.023869,4.249502152);(175.0395191,6.213810011)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(131.04914,8.81);(131.04914,8.81);(131.04914,8.81);(131.04914,8.81);(133.06479,9.37);(133.06479,9.37);(133.06479,9.37);(133.06479,9.37);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(149.05971,16.28);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0);(177.05462,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.02293,28.83);(63.02293,40.65);(65.03858,33.96);(75.02293,32.98);(77.03858,100.0);(79.05423,39.53);(79.05423,39.53);(89.03858,65.82);(93.03349,58.75);(93.03349,58.75);(93.03349,58.75);(93.03349,58.75);(101.03858,25.46);(103.05423,25.63);(107.04914,34.22);(107.04914,34.22);(107.04914,34.22);(107.04914,34.22);(107.04914,34.22);(119.04914,29.63);(121.02841,66.39);(121.02841,66.39);(121.02841,66.39);(121.02841,66.39);(121.02841,66.39);(121.02841,66.39);(121.02841,66.39);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(123.04406,33.59);(131.04914,84.22);(131.04914,84.22);(131.04914,84.22);(131.04914,84.22);(133.06479,46.39);(133.06479,46.39);(133.06479,46.39);(133.06479,46.39);(147.04406,32.08);(147.04406,32.08);(147.04406,32.08);(147.04406,32.08);(147.04406,32.08);(147.04406,32.08);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(149.05971,57.7);(175.03897,34.54);(175.03897,34.54);(175.03897,34.54)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(175.04007,100.0);(175.04007,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(147.04515,21.8);(175.04007,100.0);(175.04007,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(63.02402,13.95);(65.00329,13.59);(65.03967,13.87);(117.03459,80.76);(119.05024,14.75);(119.05024,14.75);(121.0295,17.18);(121.0295,17.18);(121.0295,17.18);(121.0295,17.18);(121.0295,17.18);(121.0295,17.18);(123.04515,60.23);(123.04515,60.23);(123.04515,60.23);(123.04515,60.23);(123.04515,60.23);(145.0295,90.42);(145.0295,90.42);(145.0295,90.42);(145.0295,90.42);(145.0295,90.42);(145.0295,90.42);(145.0295,90.42);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(147.04515,100.0);(175.04007,37.83);(175.04007,37.83)

Food Sources

No food source information available

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 Herniarin