Delphinidin 3-O-glucosyl-glucoside
precursor
Showing entry for Delphinidin 3-O-glucosyl-glucoside
Identification
- PhytoHub ID
- PHUB001621
- Name
- Delphinidin 3-O-glucosyl-glucoside
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 627.527
- Monoisotopic Mass
- 627.155575958
- Chemical Formula
- C27H31O17
- IUPAC Name
- 5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
- InChI Key
- WIIMVXRNTVGXEQ-LCENJUANSA-O
- InChI Identifier
InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-7-17-20(35)22(37)24(39)27(44-17)42-15-5-10-11(30)3-9(29)4-14(10)41-25(15)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-28,34-39H,6-7H2,(H4-,29,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
- SMILES
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
- Structure
Structure for Delphinidin 3-O-glucosyl-glucoside
Calculated Properties
- Solubility (ALOGPS)
- 1.76e+00 g/l
- LogS (ALOGPS)
- -2.58
- LogP (ALOGPS)
- 0.05
- Hydrogen Acceptors
- 17
- Hydrogen Donors
- 12
- Rotatable Bond Count
- 7
- Polar Surface Area
- 292.82
- Refractivity
- 150.65170000000003
- Polarizability
- 58.88046297937008
- Formal Charge
- 1
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.6789575975639743
- pKa (strongest acidic)
- 6.366609429996295
- Number of Rings
- 5
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Anthocyanins
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Flavonoids
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Flavonoid glycosides
- Direct Parent Name
- Anthocyanidin-3-O-glycosides
- Alternative Parent Names
- ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Acetals", "Anthocyanidins", "Benzene and substituted derivatives", "Disaccharides", "Flavonoid-3-O-glycosides", "Heteroaromatic compounds", "Hydrocarbon derivatives", "O-glycosyl compounds", "Organic cations", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Pyrogallols and derivatives", "Secondary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Acetal", "Alcohol", "Anthocyanidin", "Anthocyanidin-3-o-glycoside", "Aromatic heteropolycyclic compound", "Benzenetriol", "Benzenoid", "Benzopyran", "Disaccharide", "Flavonoid-3-o-glycoside", "Glycosyl compound", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "O-glycosyl compound", "Organic cation", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Polyol", "Primary alcohol", "Pyrogallol derivative", "Secondary alcohol"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8732495976);(59.01275342,1.085815068);(72.02057802,0.9174299656);(73.02840262,1.019119641);(89.02331672,1.347173816);(101.0233167,0.9843092111);(102.0311413,1.398238038);(103.0389659,1.47540504);(119.03388,0.8874219676);(133.0495292,1.499781513);(205.0706558,1.173873999);(220.0577453,1.158301715);(221.0655699,1.269378615);(249.060484,1.122728393);(250.0683086,1.545566164);(251.0761332,1.710787356);(265.0917824,0.9278416135);(280.0788719,0.9100567189);(281.0866965,1.257009628);(295.1023457,0.9417205206);(433.0765247,1.2979717);(535.1082146,1.223436518);(536.1160392,1.042715185);(565.1187779,1.805670658);(566.1266025,1.042933413);(595.1293412,2.171860494);(596.1371658,1.186706115);(608.1371658,3.058149998);(609.1405771,0.9554725935);(609.1449904,3.073790853);(610.148403,0.9608204793) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8466318943);(73.04679982,1.651825048);(89.02331672,1.007454811);(89.04171392,1.258847672);(115.0573631,0.9085494009);(161.0628405,0.7714589878);(174.0706651,0.7830880452);(175.0784897,0.8566956913);(191.0734038,0.7511351125);(205.089053,0.8697635795);(277.1101796,1.004090225);(292.0972691,0.9909673974);(293.1050937,1.08600302);(302.0420961,0.7450889224);(321.1000078,0.9610882433);(322.1078324,1.32305639);(323.115657,1.464498664);(337.1313062,0.7945720232);(352.1183957,0.7794913489);(353.1262203,1.076672556);(367.1418695,0.8002812106);(433.0765247,1.239493402);(447.0921739,0.739178687);(637.1583017,1.080358425);(667.168865,1.002795524);(668.1766896,0.8748203304);(680.1766896,2.408839991);(681.1796157,0.9583595195);(681.1845142,2.376462556);(682.1874415,0.945834646);(683.1637791,1.73988216) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8634364487);(59.01275342,0.8766601483);(71.01275342,1.020672931);(72.02057802,1.238951668);(73.02840262,1.232178642);(89.02331672,1.043187115);(101.0233167,1.073613283);(102.0311413,1.525096904);(103.0389659,1.465672837);(133.0495292,1.326521);(161.0444433,0.8240286289);(205.0706558,0.9735743439);(234.0733945,0.8180261785);(235.0812191,0.7488872772);(251.0761332,0.8263694599);(264.0839578,0.9250718758);(265.0917824,0.9243874376);(295.1023457,0.8329293541);(505.1160485,1.4795197);(519.1316977,0.9986212542);(607.1477384,1.08075158);(608.155563,0.9211085205);(637.1583017,1.601273201);(638.1661263,0.9363770014);(667.168865,1.919378992);(668.1766896,1.048751745);(680.1766896,2.663143563);(681.1796157,1.059534463);(681.1845142,2.701114042);(682.1874415,1.075046285);(683.1637791,1.801592124) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.863815918);(59.01275342,0.8770435813);(71.01275342,1.021119352);(72.02057802,1.23949356);(73.02840262,1.232717571);(89.02331672,1.043643384);(101.0233167,1.07408286);(102.0311413,1.52576395);(103.0389659,1.466313892);(133.0495292,1.327101193);(161.0444433,0.8243890419);(205.0706558,0.9740001651);(234.0733945,0.8183839662);(235.0812191,0.749214825);(251.0761332,0.8267308967);(264.0839578,0.925476483);(265.0917824,0.9247917455);(295.1023457,0.8332936602);(505.1160485,1.480166812);(519.1316977,0.9990580304);(607.1477384,1.081224279);(608.155563,0.9215113942);(637.1583017,1.601973565);(638.1661263,0.9367865533);(667.168865,1.920218488);(668.1766896,1.049210447);(680.1766896,2.664308367);(681.1796157,1.059997881);(681.1845142,2.702295453);(682.1874415,1.075516488);(683.1637791,1.802380103) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8735540497);(59.01275342,0.8868829043);(71.01275342,1.032575023);(72.02057802,1.253399115);(73.02840262,1.246547108);(89.02331672,1.055351747);(101.0233167,1.086132715);(102.0311413,1.542881098);(103.0389659,1.482764084);(133.0495292,1.341989595);(161.0444433,0.8336376474);(205.0706558,0.9849272188);(234.0733945,0.8275652023);(235.0812191,0.7576200706);(251.0761332,0.8360057749);(264.0839578,0.9358591621);(265.0917824,0.9351667427);(295.1023457,0.8426421642);(505.1160485,1.496772417);(519.1316977,1.010266202);(607.1477384,1.093354252);(608.155563,0.93184959);(637.1583017,1.619945688);(638.1661263,0.9472961172);(667.168865,1.941760918);(668.1766896,1.060981265);(680.1766896,2.694198547);(681.1796157,1.071889721);(681.1845142,2.7326118);(682.1874415,1.087582427);(683.1637791,1.822600535) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8764635701);(59.01275342,0.8898224621);(71.01275342,1.035997475);(72.02057802,1.257553484);(73.02840262,1.250678766);(89.02331672,1.058849691);(101.0233167,1.089732683);(102.0311413,1.54799495);(103.0389659,1.48767868);(133.0495292,1.346437596);(161.0444433,0.8364007248);(205.0706558,0.9881917427);(234.0733945,0.8303081526);(235.0812191,0.760131189);(251.0761332,0.8387767013);(264.0839578,0.9389610509);(265.0917824,0.9382663364);(295.1023457,0.8454350869);(505.1160485,1.501733443);(519.1316977,1.013614711);(607.1477384,1.096978155);(608.155563,0.9349381891);(637.1583017,1.62531497);(638.1661263,0.9504359135);(667.168865,1.948196851);(668.1766896,1.064497869);(680.1766896,2.703128421);(681.1796157,1.075442481);(681.1845142,2.741668994);(682.1874415,1.0911872);(683.1637791,1.828641512) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8335164971);(71.01275342,0.9854683962);(72.02057802,1.196218374);(73.02840262,1.189678959);(73.04679982,1.651417151);(88.01549212,0.7926481744);(89.02331672,1.286161106);(89.04171392,1.354003472);(101.0233167,1.036582757);(102.0311413,1.472494033);(103.0389659,1.41511959);(131.0522772,0.8881971923);(133.0495292,1.280767309);(161.0444433,0.7956066502);(161.0628405,0.8942460392);(205.0706558,0.93999431);(251.0761332,0.7978667424);(264.0839578,0.8564516329);(367.1418695,1.120318976);(505.1160485,1.428488855);(519.1316977,0.9641773149);(607.1477384,0.7709161129);(637.1583017,1.257921021);(638.1661263,0.7973933604);(667.168865,1.691252335);(668.1766896,0.8559450666);(680.1766896,2.199121813);(681.1796157,0.8749229222);(681.1845142,2.244988417);(682.1874415,0.8935077977);(683.1637791,1.739452519) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (56.99710422,1.421518143);(59.01275342,2.353742232);(71.01275342,0.8800559126);(72.02057802,1.068262622);(73.02840262,1.062422708);(73.04679982,1.474770205);(89.04171392,1.067032796);(102.0311413,1.314985935);(131.0522772,0.8536884312);(133.0495292,1.143767621);(161.0628405,0.7985913268);(205.0706558,0.8394460477);(234.0733945,0.8572607695);(235.0812191,0.9279016376);(250.0683086,0.7708435137);(251.0761332,0.855956272);(337.1313062,1.14275377);(343.0448348,0.9175890329);(352.1183957,0.769394485);(353.1262203,0.9090486662);(359.0397489,0.8277736022);(505.1160485,1.275687853);(519.1316977,0.8610422719);(565.1187779,0.7874978059);(637.1583017,0.8958640788);(667.168865,1.493187168);(668.1766896,0.8322220248);(680.1766896,1.885636818);(681.1796157,0.7502025881);(681.1845142,1.818718687);(683.1637791,1.553388703) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8095381096);(59.01275342,0.7825261377);(71.01275342,0.957246777);(72.02057802,1.161961345);(73.02840262,1.155609204);(73.04679982,1.604124244);(88.01549212,0.7699484967);(89.02331672,1.249328318);(89.04171392,1.315227829);(101.0233167,1.006897336);(102.0311413,1.430325085);(103.0389659,1.374593718);(131.0522772,0.8285778589);(133.0495292,1.244088987);(161.0444433,0.7728222484);(161.0628405,0.8686368251);(205.0706558,1.467656586);(221.0655699,1.352298232);(337.1313062,0.7716266609);(367.1418695,0.7771709804);(505.1160485,1.985376823);(519.1316977,0.9365654249);(637.1583017,1.199141717);(638.1661263,0.7545215843);(667.168865,1.651512731);(668.1766896,0.843319736);(680.1766896,2.136143864);(681.1796157,0.8498670792);(681.1845142,2.180696951);(682.1874415,0.8679197252);(683.1637791,1.689638475) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.7557805069);(71.01275342,0.8939499202);(72.02057802,1.08512797);(73.02840262,1.079195857);(73.04679982,1.498053348);(88.01549212,0.7843235922);(89.02331672,1.057999837);(89.04171392,1.228259881);(101.0233167,1.102805849);(102.0311413,1.188704916);(103.0389659,0.9911225125);(129.036628,0.886187347);(131.0522772,1.574043267);(161.0628405,1.600804526);(277.1101796,0.910617457);(292.0972691,0.8987162593);(293.1050937,0.9849048259);(321.1000078,0.8716186154);(322.1078324,1.199890423);(323.115657,1.328165552);(353.1262203,0.9764429529);(433.0765247,1.124106481);(637.1583017,1.12682211);(638.1661263,0.7815512744);(667.168865,1.534189119);(668.1766896,0.7764551628);(680.1766896,1.994893775);(681.1796157,0.793670583);(681.1845142,2.03650084);(682.1874415,0.8105295183);(683.1637791,1.577913048) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8643220143);(58.00492882,0.874752475);(59.01275342,1.273448642);(71.01275342,1.407095989);(72.02057802,1.693878491);(73.02840262,1.845040851);(73.04679982,1.408771922);(87.00766752,0.8588553776);(88.01549212,0.988833539);(89.02331672,1.143223396);(89.04171392,1.019281403);(129.036628,0.9541994375);(131.0522772,1.823565188);(161.0628405,0.9741323706);(174.0706651,0.8877951333);(205.089053,1.082610841);(277.1101796,0.8563462083);(292.0972691,0.8451543017);(293.1050937,0.9262061766);(321.1000078,0.8196716312);(322.1078324,1.128378999);(323.115657,1.249009149);(353.1262203,0.9182486168);(433.0765247,1.05711165);(565.1187779,1.005327751);(637.1583017,0.8786386097);(667.168865,1.461952845);(668.1766896,0.8591372851);(680.1766896,1.801251609);(681.1845142,1.73732817);(683.1637791,1.483872119) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.231452722);(59.01275342,0.780202425);(73.04679982,1.599360794);(89.02331672,0.9754566491);(89.04171392,1.311322258);(129.036628,1.183690733);(131.0522772,2.011906742);(174.0706651,1.147898138);(191.0734038,0.72727802);(205.089053,1.22907428);(277.1101796,0.9721989278);(292.0972691,0.959492899);(293.1050937,1.051510059);(321.1000078,0.9305627483);(322.1078324,1.281034285);(323.115657,1.417984156);(337.1313062,0.7693353142);(352.1183957,0.754733623);(353.1262203,1.042475943);(367.1418695,0.7748631699);(433.0765247,1.200125373);(535.1082146,0.916957082);(637.1583017,1.032226538);(638.1661263,0.8775657713);(667.168865,1.856034479);(668.1766896,0.8470102804);(680.1766896,2.129800581);(681.1796157,0.8473433975);(681.1845142,2.174221368);(682.1874415,0.8653424361);(683.1637791,1.68462109) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8339935985);(73.04679982,1.627167043);(89.02331672,0.992415793);(89.04171392,1.240055928);(115.0573631,0.8949868171);(161.0628405,0.7599428532);(174.0706651,0.7713983151);(175.0784897,0.8439071658);(191.0734038,0.7399223673);(205.089053,0.8567799801);(277.1101796,0.9891014335);(292.0972691,0.9761744996);(293.1050937,1.069791456);(321.1000078,0.9467413736);(322.1078324,1.303306156);(323.115657,1.442637017);(336.1234816,0.7154585055);(337.1313062,0.7827108634);(352.1183957,0.7678553094);(353.1262203,1.060600274);(367.1418695,0.7883348255);(505.1160485,1.084147164);(709.1978255,0.9456525088);(739.2083888,0.8775214046);(740.2162134,0.7655320705);(752.2162134,2.107621709);(753.2188258,1.018544577);(753.224038,2.07928895);(754.2266515,1.005164222);(755.2033029,3.044624217);(756.2058978,1.437970623) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8303644154);(73.04679982,1.620086308);(89.02331672,0.9880972243);(89.04171392,1.234659736);(115.0573631,0.8910922175);(161.0628405,0.7566359071);(174.0706651,0.7680415198);(175.0784897,0.840234843);(191.0734038,0.7367025419);(205.089053,0.8530516404);(277.1101796,0.9847972874);(292.0972691,0.971926606);(293.1050937,1.065136182);(321.1000078,0.9426215603);(322.1078324,1.297634726);(323.115657,1.436359278);(336.1234816,0.7123451364);(337.1313062,0.7793048407);(352.1183957,0.7645139317);(353.1262203,1.055984996);(367.1418695,0.7849043298);(505.1160485,1.07942942);(709.1978255,0.9415374339);(739.2083888,0.8737028071);(740.2162134,0.8698916671);(752.2162134,2.098450242);(753.2188258,1.014112307);(753.224038,2.070240774);(754.2266515,1.000790177);(755.2033029,3.031375316);(756.2058978,1.431713191) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8354989568);(73.04679982,1.630104079);(89.02331672,0.9942071033);(89.04171392,1.242294229);(115.0573631,0.8966022681);(161.0628405,0.7613145498);(174.0706651,0.7727906889);(175.0784897,0.845430418);(191.0734038,0.741257927);(205.089053,0.8583264678);(277.1101796,0.9908867614);(292.0972691,0.9779364944);(293.1050937,1.071722429);(321.1000078,0.9484502415);(322.1078324,1.305658623);(323.115657,1.445240977);(336.1234816,0.716749908);(337.1313062,0.7841236563);(352.1183957,0.769241288);(353.1262203,1.062514657);(367.1418695,0.7897577697);(505.1160485,1.08610405);(709.1978255,0.9473594114);(739.2083888,0.8791053306);(740.2162134,0.7669138557);(752.2162134,2.111425966);(753.2188258,1.020383049);(753.224038,2.083042066);(754.2266515,1.006978543);(755.2033029,3.050119763);(756.2058978,1.44056616) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8406113074);(73.04679982,1.640078554);(89.02331672,1.000290576);(89.04171392,1.249895727);(115.0573631,0.9020885049);(161.0628405,0.7659729721);(174.0706651,0.7775193327);(175.0784897,0.8506035385);(191.0734038,0.7457936244);(205.089053,0.8635784981);(277.1101796,0.9969499174);(292.0972691,0.9839204088);(293.1050937,1.078280212);(321.1000078,0.954253732);(322.1078324,1.313647843);(323.115657,1.454084289);(336.1234816,0.7211356428);(337.1313062,0.7889216456);(352.1183957,0.7739482133);(353.1262203,1.069016099);(367.1418695,0.7945902337);(505.1160485,1.092749833);(709.1978255,0.9531562271);(739.2083888,0.8844845051);(740.2162134,0.7716065396);(752.2162134,2.124345611);(753.2188258,1.026626691);(753.224038,2.095788032);(754.2266515,1.013140163);(755.2033029,3.0687832);(756.2058978,1.449380868) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8979645889);(73.04679982,1.751977937);(89.02331672,1.068538465);(89.04171392,1.335173692);(115.0573631,0.9636362565);(131.0522772,0.7050575978);(161.0628405,0.8182338245);(174.0706651,0.8305679709);(175.0784897,0.9086385705);(191.0734038,0.796677679);(205.089053,0.9224987865);(277.1101796,1.064969879);(293.1050937,0.7665550422);(306.1129183,0.7185911548);(322.1078324,0.7552189158);(323.115657,1.018742417);(336.1234816,0.8148035199);(337.1313062,0.7083738741);(439.1813933,1.291634606);(505.1160485,1.167306037);(607.1477384,0.9506868715);(608.155563,0.801713898);(637.1583017,0.9426349348);(709.1978255,0.7519095061);(739.2083888,0.7922287582);(752.2162134,1.918594213);(753.2188258,0.9271937759);(753.224038,1.896763465);(754.2266515,0.9169282468);(755.2033029,3.278160334);(756.2058978,1.548269318) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7910508283);(73.04679982,1.543383354);(89.02331672,0.9413157805);(89.04171392,1.176204795);(115.0573631,0.8489034739);(159.0471913,0.9336062418);(160.0550159,1.095592927);(161.0628405,1.556558494);(174.0706651,0.731678609);(175.0784897,0.8004539408);(205.089053,0.8126639271);(277.1101796,0.9381720791);(292.0972691,0.9259107598);(293.1050937,1.01470733);(305.1050937,0.8261381686);(306.1129183,1.173552905);(307.1207429,0.9973372283);(321.1000078,0.7746904023);(322.1078324,0.8919336325);(323.115657,1.031197054);(343.0448348,0.9602795299);(409.17083,1.049212932);(425.1657441,0.8434506832);(505.1160485,1.028323855);(637.1583017,1.103329813);(752.2162134,1.617424077);(753.2188258,0.7816481082);(753.224038,1.588702408);(754.2266515,0.7680062067);(755.2033029,2.887854911);(756.2058978,1.363928758) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8576627478);(73.04679982,1.673346845);(89.02331672,1.020581042);(89.04171392,1.275249327);(115.0573631,0.9203869839);(161.0628405,0.7815104058);(174.0706651,0.7932909793);(175.0784897,0.867857667);(191.0734038,0.7609217287);(205.089053,0.8810958181);(277.1101796,1.516377726);(293.1050937,1.263808602);(302.0420961,0.7547967621);(373.0553981,0.6916332737);(393.1395316,0.7124647526);(394.1473562,0.9965996662);(395.1551808,1.514383561);(409.17083,0.7138114101);(424.1579195,0.700097984);(425.1657441,0.9670048858);(439.1813933,0.7244178629);(505.1160485,1.595243368);(607.1477384,0.7155181318);(709.1978255,0.6968191753);(739.2083888,0.7647290399);(752.2162134,1.832485162);(753.2188258,0.8855800901);(753.224038,1.811634206);(754.2266515,0.8757752916);(755.2033029,3.131032153);(756.2058978,1.478780938) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,1.666903895);(89.02331672,1.016651461);(89.04171392,1.270339187);(115.0573631,0.9168431836);(131.0522772,1.215734694);(173.0628405,0.6524277987);(174.0706651,0.8358513727);(175.0784897,0.7266709137);(277.1285768,1.329154838);(302.0420961,0.75189054);(349.1497034,0.8996982533);(364.1367929,0.8877538492);(365.1446175,0.9728859442);(393.1395316,0.8604488504);(394.1473562,1.184507316);(395.1551808,1.311130653);(409.17083,0.7110629954);(424.1579195,0.6974023707);(425.1657441,0.9632815909);(433.0765247,1.250808239);(439.1813933,0.7216286098);(447.0921739,0.7459263525);(607.1477384,0.7127631457);(709.1978255,0.710050814);(739.2083888,0.7537590371);(752.2162134,1.825429476);(753.2188258,0.8821703081);(753.224038,1.804658803);(754.2266515,0.8724032614);(755.2033029,3.118976623);(756.2058978,1.473087133) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8302019981);(73.04679982,1.518071103);(89.02331672,0.9258777361);(89.04171392,1.156914454);(115.0573631,0.834981037);(131.0522772,0.6919205893);(143.0522772,0.7085432195);(144.0601018,0.8529530121);(145.0679264,0.9232416842);(159.0471913,1.208126557);(160.0550159,1.259663178);(161.0628405,1.673754379);(247.1180135,1.116312809);(277.1285768,0.7108030298);(302.0420961,0.6847565145);(349.1497034,0.8193669255);(364.1367929,0.808489001);(365.1446175,0.8860199095);(393.1395316,0.7836219827);(394.1473562,1.078746251);(395.1551808,1.194063774);(425.1657441,0.8772730997);(433.0765247,1.139127366);(505.0976513,0.6829428581);(637.1583017,1.047172657);(752.2162134,1.590897522);(753.2188258,0.7688286926);(753.224038,1.562646902);(754.2266515,0.7554105249);(755.2033029,2.840492662);(756.2058978,1.341559651) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7654809111);(73.04679982,1.569182713);(89.02331672,0.9570509146);(89.04171392,1.195866358);(115.0573631,1.387318014);(131.0522772,0.8666323549);(161.0628405,0.9108271331);(233.1023643,0.672251188);(247.1180135,0.7240607455);(277.1285768,0.7347349043);(302.0420961,0.7078114345);(349.1497034,0.8469540145);(364.1367929,0.8357098435);(365.1446175,0.9158511234);(393.1395316,0.8100055829);(394.1473562,1.115066327);(395.1551808,1.234266451);(409.17083,0.6693773788);(425.1657441,0.9068098192);(433.0765247,1.177480401);(439.1813933,0.6793235908);(447.0921739,0.7021968937);(637.1583017,0.8988397954);(667.168865,0.8254502645);(739.2083888,0.7171254382);(752.2162134,1.718414832);(753.2188258,0.8304536339);(753.224038,1.698861827);(754.2266515,0.8212591741);(755.2033029,2.936128599);(756.2058978,1.386728335) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8504862998);(59.01275342,0.8635738105);(71.01275342,1.005436843);(72.02057802,1.220457227);(73.02840262,1.213785304);(89.02331672,1.027614948);(101.0233167,1.057586929);(102.0311413,1.502331032);(103.0389659,1.443794016);(133.0495292,1.306719368);(161.0444433,0.8117279477);(205.0706558,0.9590413202);(234.0733945,0.8058150988);(251.0761332,0.8140338359);(264.0839578,0.9112628723);(265.0917824,0.910588651);(295.1023457,0.8204958075);(577.1555723,1.303905886);(591.1712215,0.8802060973);(679.1872622,0.9462422016);(680.1950868,0.8064668481);(709.1978255,1.401616683);(710.2056501,0.8196223625);(739.2083888,1.679601197);(740.2162134,0.9177350634);(752.2162134,2.330125948);(753.2188258,1.126073591);(753.224038,2.264234055);(754.2266515,1.094569882);(755.2033029,3.152611413);(756.2058978,1.488972784) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8558883999);(59.01275342,0.8690329391);(71.01275342,1.011792767);(72.02057802,1.228172413);(73.02840262,1.221458314);(89.02331672,1.034111071);(101.0233167,1.064272522);(102.0311413,1.511828099);(103.0389659,1.452921039);(133.0495292,1.314979865);(161.0444433,0.8168593299);(205.0706558,0.9651039518);(234.0733945,0.8109091026);(251.0761332,0.8191797949);(264.0839578,0.9170234699);(265.0917824,0.9163449865);(295.1023457,0.8256826161);(577.1555723,1.312148598);(591.1712215,0.8857703679);(679.1872622,0.9522239229);(680.1950868,0.8115649719);(709.1978255,1.410477078);(710.2056501,0.8248036497);(739.2083888,1.690218887);(740.2162134,0.9235365754);(752.2162134,2.344855965);(753.2188258,1.133192126);(753.224038,2.278547533);(754.2266515,1.101489265);(755.2033029,3.172540817);(756.2058978,1.498385407) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8585046535);(59.01275342,0.8716766997);(71.01275342,1.014870829);(72.02057802,1.231908743);(73.02840262,1.225174218);(89.02331672,1.03725703);(101.0233167,1.067510238);(102.0311413,1.516427362);(103.0389659,1.457341096);(133.0495292,1.31898028);(161.0444433,0.8193443687);(205.0706558,0.9680399784);(234.0733945,0.8133760397);(251.0761332,0.821671893);(264.0839578,0.9198132267);(265.0917824,0.9191326792);(295.1023457,0.828194497);(577.1555723,1.316140399);(591.1712215,0.8884650469);(679.1872622,0.9551207661);(680.1950868,0.8140339043);(709.1978255,1.414768013);(710.2056501,0.8273128566);(739.2083888,1.695360849);(740.2162134,0.9263461462);(752.2162134,2.351989455);(753.2188258,1.136639509);(753.224038,2.285479301);(754.2266515,1.104840201);(755.2033029,3.182192279);(756.2058978,1.502943775) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.234377622);(59.01275342,0.8216799069);(89.02331672,0.9777630403);(89.04171392,1.314422777);(131.0522772,1.027357105);(145.0679264,0.7109926308);(159.0471913,0.7529926997);(160.0550159,0.803549943);(161.0628405,0.9886375168);(173.0628405,0.6954465276);(174.0706651,0.9879000001);(175.0784897,0.8375263412);(277.1101796,0.8173588764);(336.1234816,0.777544212);(337.1313062,0.7769728878);(367.1418695,0.6947381711);(505.1160485,1.386730778);(519.1316977,0.9359921525);(607.1477384,1.049367826);(608.155563,0.7780697249);(709.1978255,0.924259808);(710.2056501,0.7940225826);(739.2083888,1.652680577);(740.2109824,0.7799385124);(740.2162134,0.7542073406);(752.2162134,1.896187169);(753.2188258,0.9163651848);(753.224038,1.84143011);(754.2266515,0.8901791468);(755.2033029,2.999671158);(756.2058978,1.416739373) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9157138407);(59.01275342,0.7649894904);(71.01275342,1.490760678);(72.02057802,1.794595015);(73.02840262,1.954745356);(89.02331672,0.9103039317);(89.04171392,1.079886978);(129.036628,0.9360901762);(131.0522772,1.793625229);(161.0628405,1.032053424);(174.0706651,0.768653264);(175.0784897,0.7140140977);(205.089053,1.025952075);(277.1101796,0.760966582);(336.1234816,0.7238988631);(337.1313062,0.7233669565);(505.1160485,1.291055632);(519.1316977,0.8714149557);(577.1371751,0.6780927889);(593.1320892,0.652332384);(637.1583017,0.7394173537);(709.1978255,0.7814035588);(739.2083888,1.375925149);(740.2109824,0.6493311706);(740.2162134,0.8085803834);(752.2162134,1.695021473);(753.2188258,0.8191483896);(753.224038,1.634864799);(754.2266515,0.7903219048);(755.2033029,2.792713916);(756.2058978,1.318993834) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.804479125);(59.01275342,0.8170682661);(71.01275342,0.9512916304);(72.02057802,1.154732645);(73.02840262,1.148420021);(89.02331672,0.97227539);(89.04171392,1.30704564);(101.0233167,1.173544457);(102.0311413,1.264953452);(103.0389659,1.054697282);(129.036628,0.8316852943);(131.0522772,1.481339759);(161.0628405,1.695097268);(277.1101796,0.8127714872);(323.115657,0.6904230621);(336.1234816,0.7731802807);(337.1313062,0.7726121631);(367.1418695,0.6908389849);(505.1160485,1.378947815);(519.1316977,0.9307389394);(709.1978255,1.070344951);(710.2056501,0.751339157);(739.2083888,1.450295916);(740.2109824,0.6844284704);(740.2162134,0.733995332);(752.2162134,1.885544905);(753.2188258,0.9112221272);(753.224038,1.831095168);(754.2266515,0.8851830571);(755.2033029,2.982835641);(756.2058978,1.408787988) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9526682991);(59.01275342,0.7574739058);(71.01275342,0.9266009404);(72.02057802,1.124761661);(73.02840262,1.118612881);(88.01549212,0.7452989326);(89.02331672,1.209331618);(89.04171392,1.273121386);(101.0233167,0.9746619588);(102.0311413,1.384533853);(103.0389659,1.330586702);(131.0522772,0.8575672956);(133.0495292,1.204260022);(161.0444433,0.7480806823);(161.0628405,0.9012997921);(205.0706558,1.420670203);(221.0655699,1.073357701);(323.115657,0.6931385883);(336.1234816,0.706077591);(337.1313062,0.7881778099);(577.1555723,1.719368898);(591.1712215,0.8111894875);(709.1978255,1.031418602);(739.2083888,1.420129633);(740.2162134,0.7251661409);(752.2162134,1.836605754);(753.2188258,0.8875714376);(753.224038,1.783569255);(754.2266515,0.8622082093);(755.2033029,2.905416406);(756.2058978,1.372223021) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9147330505);(59.01275342,2.379237644);(71.01275342,0.8897036939);(72.02057802,1.079973655);(73.02840262,1.07406972);(89.04171392,1.078730348);(101.0233167,0.9358509227);(102.0311413,1.32940172);(133.0495292,1.156306392);(161.0444433,0.7182921119);(161.0628405,0.807346037);(205.0706558,0.8486486356);(233.0655699,0.9832329682);(234.0733945,1.183624339);(235.0812191,1.176501426);(249.060484,0.7406886992);(250.0683086,0.7792940332);(251.0761332,0.8653398564);(337.1313062,1.093784413);(415.0843586,0.7327123649);(577.1555723,1.153816762);(591.1712215,0.7788879247);(709.1978255,0.8047720335);(739.2083888,1.34099333);(740.2162134,0.747395991);(752.2162134,1.693205993);(753.2188258,0.8182710274);(753.224038,1.633113751);(754.2266515,0.7894754177);(755.2033029,2.789722734);(756.2058978,1.317581105) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8092128093);(71.01275342,0.9568638619);(72.02057802,1.161496541);(73.02840262,1.155146941);(88.01549212,0.7696405042);(89.02331672,1.248828565);(89.04171392,1.314701716);(101.0233167,1.00649456);(102.0311413,1.42975293);(103.0389659,1.374043857);(131.0522772,1.387033667);(133.0495292,1.24359133);(161.0444433,0.7725131063);(205.0706558,0.9127097217);(234.0733945,0.766885909);(251.0761332,0.7747075963);(263.0761332,0.7160043741);(264.0839578,0.8347918926);(367.1418695,1.087800224);(577.1555723,1.240913768);(591.1712215,0.8376830542);(709.1978255,1.085051443);(710.2056501,0.7276186525);(739.2083888,1.458791087);(740.2162134,0.7382947411);(752.2162134,1.896589565);(753.2188258,0.9165596499);(753.224038,1.841820886);(754.2266515,0.8903680548);(755.2033029,3.000307729);(756.2058978,1.417040024) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.23488597);(59.01275342,0.822016765);(89.02331672,0.9781638865);(89.04171392,1.314961641);(131.0522772,1.027778283);(145.0679264,0.7112841112);(159.0471913,0.7533013985);(160.0550159,0.8038793684);(161.0628405,0.9890428212);(173.0628405,0.6957316346);(174.0706651,0.9883050021);(175.0784897,0.8378696956);(277.1101796,0.817693963);(336.1234816,0.777862976);(337.1313062,0.7772914176);(367.1418695,0.6950229877);(505.1160485,1.387299286);(519.1316977,0.9363758742);(607.1477384,1.049798028);(608.155563,0.7783887044);(709.1978255,0.9246387199);(710.2056501,0.7943481021);(739.2083888,1.653358114);(740.2109824,0.780258258);(740.2162134,0.7545165374);(752.2162134,1.896964535);(753.2188258,0.9167408602);(753.224038,1.842185028);(754.2266515,0.8905440869);(755.2033029,3.000900911);(756.2058978,1.417320183) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9160633593);(59.01275342,0.765281479);(71.01275342,1.491329686);(72.02057802,1.795279994);(73.02840262,1.955491463);(89.02331672,0.9106513854);(89.04171392,1.08029916);(129.036628,0.9364437832);(131.0522772,1.794302618);(161.0628405,1.032447348);(174.0706651,0.7689466511);(175.0784897,0.7142936773);(205.089053,1.026343671);(277.1101796,0.7612570352);(336.1234816,0.7241751678);(337.1313062,0.7236430582);(505.1160485,1.291548414);(519.1316977,0.8717475659);(577.1371751,0.6783516099);(593.1320892,0.6525813726);(637.1583017,0.7396995817);(709.1978255,0.7817018126);(739.2083888,1.376450325);(740.2109824,0.6495790137);(740.2162134,0.8088890103);(752.2162134,1.695668446);(753.2188258,0.8194610501);(753.224038,1.63548881);(754.2266515,0.7906235626);(755.2033029,2.793779866);(756.2058978,1.319497281) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8034453879);(59.01275342,0.8160230694);(71.01275342,0.9500747347);(72.02057802,1.153255507);(73.02840262,1.146950958);(89.02331672,0.9710316518);(89.04171392,1.305373662);(101.0233167,1.172043255);(102.0311413,1.263335319);(103.0389659,1.053348109);(129.036628,0.8306313912);(131.0522772,1.47946152);(161.0628405,1.692944755);(277.1101796,0.811731787);(323.115657,0.6895398704);(336.1234816,0.7721912257);(337.1313062,0.7716238348);(367.1418695,0.6899552612);(505.1160485,1.37718386);(519.1316977,0.9295483348);(709.1978255,1.068975761);(710.2056501,0.7503780412);(739.2083888,1.448440692);(740.2109824,0.6835529471);(740.2162134,0.7330564025);(752.2162134,1.883132909);(753.2188258,0.9100564886);(753.224038,1.828752824);(754.2266515,0.8840507277);(755.2033029,2.979019987);(756.2058978,1.406985862) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.7838194304);(59.01275342,0.7577746886);(71.01275342,0.9269688813);(72.02057802,1.125208289);(73.02840262,1.119057068);(88.01549212,0.7455948809);(89.02331672,1.209811828);(89.04171392,1.273626925);(101.0233167,0.9750489841);(102.0311413,1.385083633);(103.0389659,1.33111506);(131.0522772,0.8579078242);(133.0495292,1.204738218);(161.0444433,0.7483777352);(161.0628405,0.9016576862);(205.0706558,1.421234332);(221.0655699,1.073783917);(323.115657,0.6934138243);(336.1234816,0.706357965);(337.1313062,0.7884907848);(577.1555723,1.720051637);(591.1712215,0.8115116);(709.1978255,1.031828164);(739.2083888,1.420693548);(740.2162134,0.7254540947);(752.2162134,1.837335046);(753.2188258,0.8879238804);(753.224038,1.784277487);(754.2266515,0.8625505807);(755.2033029,2.906570109);(756.2058978,1.372767912) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9135471561);(59.01275342,2.376189865);(71.01275342,0.8885502485);(72.02057802,1.078573537);(73.02840262,1.072677256);(89.04171392,1.077331841);(101.0233167,0.9346376503);(102.0311413,1.327678233);(133.0495292,1.154807313);(161.0444433,0.717360891);(161.0628405,0.8062993633);(205.0706558,0.8475484156);(233.0655699,0.981958268);(234.0733945,1.182089844);(235.0812191,1.174976165);(249.060484,0.7397284425);(250.0683086,0.7782837271);(251.0761332,0.8642179972);(337.1313062,1.09236639);(415.0843586,0.731762449);(577.1555723,1.152320911);(591.1712215,0.7778781451);(709.1978255,0.8037286968);(739.2083888,1.339254816);(740.2162134,0.7464270387);(752.2162134,1.691010857);(753.2188258,0.81721019);(753.224038,1.630996521);(754.2266515,0.788451912);(755.2033029,2.786106033);(756.2058978,1.315872943) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8081668869);(71.01275342,0.955632684);(72.02057802,1.160002066);(73.02840262,1.153660636);(88.01549212,0.7686502228);(89.02331672,1.247221722);(89.04171392,1.313010115);(101.0233167,1.005199523);(102.0311413,1.427913295);(103.0389659,1.372275902);(131.0522772,1.385263196);(133.0495292,1.241991225);(161.0444433,0.7715191288);(205.0706558,0.9115353561);(234.0733945,0.765899172);(251.0761332,0.7737107952);(263.0761332,0.7150831053);(264.0839578,0.8337177823);(367.1418695,1.086400573);(577.1555723,1.239317109);(591.1712215,0.8366052239);(709.1978255,1.083655329);(710.2056501,0.7266824399);(739.2083888,1.456914089);(740.2162134,0.7373447918);(752.2162134,1.894149261);(753.2188258,0.9153803306);(753.224038,1.839451052);(754.2266515,0.8892224358);(755.2033029,2.996447292);(756.2058978,1.415216747) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8408303653);(59.01275342,0.8538151629);(71.01275342,0.9940751001);(72.02057802,1.206665688);(73.02840262,1.20006916);(89.02331672,1.016002585);(101.0233167,1.045635874);(102.0311413,1.485354233);(103.0389659,1.427478703);(133.0495292,1.29195304);(161.0444433,0.8025551742);(205.0706558,0.9482038606);(234.0733945,0.7967091423);(251.0761332,0.8048350052);(264.0839578,0.9009653238);(265.0917824,0.9002987214);(295.1023457,0.8112239544);(577.1555723,1.289171352);(591.1712215,0.8702594998);(679.1872622,0.935549376);(680.1950868,0.7973535266);(709.1978255,1.385777986);(710.2056501,0.8103603797);(739.2083888,1.660621191);(740.2162134,0.9073643772);(752.2162134,2.303794813);(753.2188258,1.113348616);(753.224038,2.238647519);(754.2266515,1.082200909);(755.2033029,3.116985942);(756.2058978,1.472146938) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8466600043);(59.01275342,0.859706933);(71.01275342,1.000934737);(72.02057802,1.21499231);(73.02840262,1.208350263);(89.02331672,1.023013533);(101.0233167,1.052851307);(102.0311413,1.495603952);(103.0389659,1.437329051);(133.0495292,1.30086819);(161.0444433,0.8080932236);(205.0706558,0.954746962);(234.0733945,0.8022068511);(251.0761332,0.8103887866);(264.0839578,0.9071824546);(265.0917824,0.9065112523);(295.1023457,0.816821823);(577.1555723,1.298067306);(591.1712215,0.8762647445);(679.1872622,0.9420051548);(680.1950868,0.8028556819);(709.1978255,1.395340578);(710.2056501,0.8159522892);(739.2083888,1.672080344);(740.2162134,0.9136256648);(752.2162134,2.3196922);(753.2188258,1.121031302);(753.224038,2.254095355);(754.2266515,1.08966866);(755.2033029,3.138494771);(756.2058978,1.48230552) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.251834545);(59.01275342,0.8332470925);(89.02331672,0.9915274836);(89.04171392,1.332926543);(131.0522772,1.041819708);(145.0679264,0.721001618);(159.0471913,0.7635929422);(160.0550159,0.8148619043);(161.0628405,1.002555045);(173.0628405,0.7052366648);(174.0706651,1.001807146);(175.0784897,0.8493166046);(277.1101796,0.8288652327);(336.1234816,0.788490078);(337.1313062,0.787910711);(367.1418695,0.7045183364);(505.1160485,1.406252458);(519.1316977,0.9491685668);(607.1477384,1.064140285);(608.155563,0.7890229888);(709.1978255,0.9372710604);(710.2056501,0.8052004225);(739.2083888,1.675946161);(740.2109824,0.7909180841);(740.2162134,0.7648246822);(752.2162134,1.922880713);(753.2188258,0.9292653008);(753.224038,1.867352813);(754.2266515,0.9027106293);(755.2033029,3.04189898);(756.2058978,1.436683499) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9259438643);(59.01275342,0.7735356761);(71.01275342,1.507414917);(72.02057802,1.814643581);(73.02840262,1.976583064);(89.02331672,0.9204735178);(89.04171392,1.091951085);(129.036628,0.946438745);(131.0522772,1.81344946);(161.0628405,1.043583151);(174.0706651,0.7772403801);(175.0784897,0.7221992191);(205.089053,1.037413641);(277.1101796,0.7694678253);(336.1234816,0.7319859992);(337.1313062,0.7314481503);(505.1160485,1.305478838);(519.1316977,0.8811500882);(577.1371751,0.6856681961);(593.1320892,0.6596200053);(637.1583017,0.7476778568);(709.1978255,0.7901331166);(739.2083888,1.391296486);(740.2109824,0.6565852634);(740.2162134,0.8176135509);(752.2162134,1.71395764);(753.2188258,0.8282996189);(753.224038,1.653128917);(754.2266515,0.7991510951);(755.2033029,2.823913105);(756.2058978,1.333729156) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8130005075);(59.01275342,0.8256836735);(71.01275342,0.9613223283);(72.02057802,1.166908484);(73.02840262,1.160529299);(89.02331672,0.9825273468);(89.04171392,1.320827512);(101.0233167,1.185918654);(102.0311413,1.278291492);(103.0389659,1.065818319);(129.036628,0.8403715335);(131.0522772,1.496820258);(161.0628405,1.71283864);(277.1101796,0.8213415881);(323.115657,0.6977030853);(336.1234816,0.7813329203);(337.1313062,0.7807588123);(367.1418695,0.6981233937);(505.1160485,1.393487845);(519.1316977,0.9405529237);(709.1978255,1.081630982);(710.2056501,0.7592614974);(739.2083888,1.465588261);(740.2109824,0.6916452849);(740.2162134,0.741734794);(752.2162134,1.905426644);(753.2188258,0.9208303205);(753.224038,1.850402772);(754.2266515,0.8945166868);(755.2033029,3.014287535);(756.2058978,1.423642662) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.7968901075);(59.01275342,0.7703546527);(71.01275342,0.9423576709);(72.02057802,1.143888089);(73.02840262,1.13763475);(88.01549212,0.7579726456);(89.02331672,1.229896148);(89.04171392,1.294770652);(101.0233167,0.9912359607);(102.0311413,1.408077674);(103.0389659,1.353213159);(131.0522772,0.8721501178);(133.0495292,1.22473831);(161.0444433,0.7608016986);(161.0628405,0.9166262798);(205.0706558,1.444828518);(221.0655699,1.091610012);(323.115657,0.7049253213);(336.1234816,0.7180843501);(337.1313062,0.8015806727);(577.1555723,1.748606546);(591.1712215,0.824983661);(709.1978255,1.048957743);(739.2083888,1.444278756);(740.2162134,0.7374974984);(752.2162134,1.867837);(753.2188258,0.9026644764);(753.224038,1.813898622);(754.2266515,0.8768699496);(755.2033029,2.954822641);(756.2058978,1.395557498) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9249410583);(59.01275342,2.405468696);(71.01275342,0.8996323854);(72.02057802,1.092025674);(73.02840262,1.086055853);(89.04171392,1.090768491);(101.0233167,0.9462945965);(102.0311413,1.344237243);(133.0495292,1.169210249);(161.0444433,0.7263079276);(161.0628405,0.8163556543);(205.0706558,0.8581191712);(233.0655699,0.9942054042);(234.0733945,1.196833052);(235.0812191,1.189630651);(249.060484,0.7489544507);(250.0683086,0.7879906028);(251.0761332,0.8749966585);(337.1313062,1.105990553);(415.0843586,0.7408891041);(577.1555723,1.166692836);(591.1712215,0.7875799622);(709.1978255,0.8137529261);(739.2083888,1.35595821);(740.2162134,0.7557365928);(752.2162134,1.712101408);(753.2188258,0.8274025626);(753.224038,1.651338563);(754.2266515,0.7982856069);(755.2033029,2.82085478);(756.2058978,1.332284715) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8192420824);(71.01275342,0.968668839);(72.02057802,1.175826103);(73.02840262,1.169398167);(88.01549212,0.7791356778);(89.02331672,1.264235556);(89.04171392,1.330921393);(101.0233167,1.018911839);(102.0311413,1.447392013);(103.0389659,1.390995648);(131.0522772,1.404007807);(133.0495292,1.258933708);(161.0444433,0.7820437196);(205.0706558,0.9239699623);(234.0733945,0.7763470988);(251.0761332,0.7842652833);(263.0761332,0.7248378305);(264.0839578,0.8450908489);(367.1418695,1.101220583);(577.1555723,1.256223113);(591.1712215,0.8480176792);(709.1978255,1.09843789);(710.2056501,0.736595396);(739.2083888,1.476788417);(740.2162134,0.7474031972);(752.2162134,1.919988083);(753.2188258,0.9278673876);(753.224038,1.864543715);(754.2266515,0.9013526628);(755.2033029,3.037322988);(756.2058978,1.434522266) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8909428343);(59.01275342,0.9044498682);(71.01275342,1.053027789);(72.02057802,1.278225861);(73.02840262,1.271238133);(89.02331672,1.076255663);(101.0233167,1.107646326);(102.0311413,1.573441768);(103.0389659,1.512133986);(133.0495292,1.3685711);(161.0444433,0.8501499541);(205.0706558,1.004436199);(234.0733945,0.8439572288);(251.0761332,0.8525649883);(264.0839578,0.954396225);(265.0917824,0.9536900904);(295.1023457,0.8593328282);(577.1555723,1.365624446);(591.1712215,0.9218694211);(679.1872622,0.9910312519);(680.1950868,0.8446398276);(709.1978255,1.467960247);(710.2056501,0.85841804);(739.2083888,1.759102769);(740.2109824,0.8301616272);(740.2162134,0.9611747683);(752.2162134,2.440419198);(753.2188258,1.179374709);(753.224038,2.371408405);(754.2266515,1.146379816);(755.2033029,1.650917931) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8585046535);(59.01275342,0.8716766997);(71.01275342,1.014870829);(72.02057802,1.231908743);(73.02840262,1.225174218);(89.02331672,1.03725703);(101.0233167,1.067510238);(102.0311413,1.516427362);(103.0389659,1.457341096);(133.0495292,1.31898028);(161.0444433,0.8193443687);(205.0706558,0.9680399784);(234.0733945,0.8133760397);(251.0761332,0.821671893);(264.0839578,0.9198132267);(265.0917824,0.9191326792);(295.1023457,0.828194497);(577.1555723,1.316140399);(591.1712215,0.8884650469);(679.1872622,0.9551207661);(680.1950868,0.8140339043);(709.1978255,1.414768013);(710.2056501,0.8273128566);(739.2083888,1.695360849);(740.2162134,0.9263461462);(752.2162134,2.351989455);(753.2188258,1.136639509);(753.224038,2.285479301);(754.2266515,1.104840201);(755.2033029,3.182192279);(756.2058978,1.502943775) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.257642133);(59.01275342,0.8370949643);(89.02331672,0.9961062822);(89.04171392,1.339081896);(131.0522772,1.046630752);(145.0679264,0.7243311487);(159.0471913,0.7671191564);(160.0550159,0.8186248746);(161.0628405,1.007184768);(173.0628405,0.7084933941);(174.0706651,1.006433416);(175.0784897,0.8532386842);(277.1101796,0.8326928694);(336.1234816,0.7921312652);(337.1313062,0.7915492228);(367.1418695,0.7077717485);(505.1160485,1.412746425);(519.1316977,0.9535517551);(607.1477384,1.069054404);(608.155563,0.792666637);(709.1978255,0.941599307);(710.2056501,0.8089187769);(739.2083888,1.683685553);(740.2109824,0.7945704837);(740.2162134,0.7683565845);(752.2162134,1.93176043);(753.2188258,0.9335565774);(753.224038,1.972046917);(754.2266515,0.953321569);(755.2033029,3.055946239);(756.2058978,1.443317994) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9298192178);(59.01275342,0.7767731555);(71.01275342,1.513723902);(72.02057802,1.822238411);(73.02840262,1.984855658);(89.02331672,0.9243259762);(89.04171392,1.096521228);(129.036628,0.9503584013);(131.0522772,1.820958122);(161.0628405,1.047950861);(174.0706651,0.7804933648);(175.0784897,0.7253010747);(205.089053,1.041755529);(277.1101796,0.7726882795);(336.1234816,0.7350495807);(337.1313062,0.7345094808);(505.1160485,1.31094266);(519.1316977,0.8848379663);(577.1371751,0.6885379237);(593.1320892,0.6623807134);(637.1583017,0.7508071134);(709.1978255,0.7934400613);(739.2083888,1.39711948);(740.2109824,0.6593332702);(740.2162134,0.8210355094);(752.2162134,1.721131068);(753.2188258,0.8317663019);(753.224038,1.660047759);(754.2266515,0.8024957827);(755.2033029,2.835732031);(756.2058978,1.339311214) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8139836719);(59.01275342,0.8266776357);(71.01275342,0.962479573);(72.02057802,1.168313215);(73.02840262,1.16192635);(89.02331672,0.9837101182);(89.04171392,1.322417531);(101.0233167,1.187346269);(102.0311413,1.279830306);(103.0389659,1.067101357);(129.036628,0.8413735604);(131.0522772,1.498606069);(161.0628405,1.714885298);(277.1101796,0.8223303232);(323.115657,0.6985429838);(336.1234816,0.7822734928);(337.1313062,0.7816986937);(367.1418695,0.6989637982);(505.1160485,1.395165333);(519.1316977,0.9416851661);(709.1978255,1.082933054);(710.2056501,0.7601755002);(739.2083888,1.467352544);(740.2109824,0.692477891);(740.2162134,0.7426276981);(752.2162134,1.907720406);(753.2188258,0.9219388207);(753.224038,1.947505543);(754.2266515,0.9414578445);(755.2033029,3.01791615);(756.2058978,1.42535645) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.79910263);(59.01275342,0.7724839364);(71.01275342,0.9449623762);(72.02057802,1.147049831);(73.02840262,1.140779208);(88.01549212,0.7600677051);(89.02331672,1.233295618);(89.04171392,1.298349438);(101.0233167,0.9939757671);(102.0311413,1.411969644);(103.0389659,1.356953481);(131.0522772,0.8745607673);(133.0495292,1.228123524);(161.0444433,0.7629045777);(161.0628405,0.9191598628);(205.0706558,1.448822068);(221.0655699,1.094627255);(323.115657,0.7068737563);(336.1234816,0.7200691572);(337.1313062,0.8037962662);(577.1555723,1.753439748);(591.1712215,0.8272639409);(709.1978255,1.051857094);(739.2083888,1.448270787);(740.2162134,0.7395359639);(752.2162134,1.872999759);(753.2188258,0.9051594685);(753.224038,1.818912293);(754.2266515,0.8792936448);(755.2033029,2.962989861);(756.2058978,1.399414861) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9288080081);(59.01275342,2.415403648);(71.01275342,0.9033935259);(72.02057802,1.096591163);(73.02840262,1.090596384);(89.04171392,1.095328725);(101.0233167,0.9502508201);(102.0311413,1.349857166);(133.0495292,1.174098428);(161.0444433,0.7293444414);(161.0628405,0.8197686354);(205.0706558,0.8617067552);(233.0655699,0.9983619311);(234.0733945,1.201836715);(235.0812191,1.194604202);(249.060484,0.7520856439);(250.0683086,0.7912849966);(251.0761332,0.8786548031);(337.1313062,1.110614426);(415.0843586,0.7439865781);(577.1555723,1.171570491);(591.1712215,0.7908726392);(709.1978255,0.8171550258);(739.2083888,1.361627136);(740.2162134,0.7588961406);(752.2162134,1.71925928);(753.2188258,0.8308617281);(753.224038,1.658242401);(754.2266515,0.8016230415);(755.2033029,2.832648077);(756.2058978,1.337854668) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8221264017);(71.01275342,0.9720635995);(72.02057802,1.179946859);(73.02840262,1.173496396);(88.01549212,0.7818662075);(89.02331672,1.268666148);(89.04171392,1.335585691);(101.0233167,1.022482679);(102.0311413,1.452464489);(103.0389659,1.39587048);(131.0522772,1.40888847);(133.0495292,1.26334572);(161.0444433,0.7847844408);(205.0706558,0.9272080729);(234.0733945,0.7790678558);(251.0761332,0.7870137901);(263.0761332,0.72737807);(264.0839578,0.8480525227);(367.1418695,1.10507988);(577.1555723,1.260625625);(591.1712215,0.8509896103);(709.1978255,1.102287435);(710.2056501,0.7391768407);(739.2083888,1.481963915);(740.2162134,0.7500225185);(752.2162134,1.926716802);(753.2188258,0.931119157);(753.224038,1.966898105);(754.2266515,0.9508325443);(755.2033029,3.047967477);(756.2058978,1.439549639) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.342633102);(59.01275342,0.8502972149);(73.04679982,1.743050246);(89.04171392,1.429133809);(129.036628,1.288505567);(131.0522772,2.190212764);(174.0706651,1.251027372);(191.0734038,0.7926179861);(205.089053,1.339496525);(277.1101796,1.059543029);(293.1050937,0.7626488477);(306.1129183,0.7149293736);(322.1078324,0.7513704877);(323.115657,1.013551132);(336.1234816,0.8106514618);(439.1813933,1.285052723);(505.1160485,1.161357705);(607.1477384,1.380975097);(608.155563,0.9474441965);(637.1583017,0.9733092426);(681.1845142,0.7416159944);(709.1978255,0.7346962592);(710.2056501,0.7632583632);(739.2083888,1.645086933);(740.2109824,0.7763548946);(752.2162134,1.712765041);(753.2188258,0.8277232749);(753.224038,1.764391805);(754.2266515,0.8529374983);(755.2033029,3.261455556);(756.2058978,1.54037968) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8885789115);(58.00492882,0.8993020994);(59.01275342,1.309187536);(71.01275342,1.446585649);(72.02057802,1.741416603);(73.02840262,1.896821282);(73.04679982,1.448308616);(87.00766752,0.8829588555);(88.01549212,1.016584809);(89.02331672,1.175307563);(89.04171392,1.047887181);(129.036628,1.317000465);(131.0522772,2.383199046);(159.0471913,0.784958689);(160.0550159,1.205878118);(161.0628405,1.339808525);(174.0706651,0.9127107954);(175.0784897,0.7253271975);(205.089053,1.112993939);(277.1101796,0.8803792672);(323.115657,0.8421643842);(439.1813933,1.067756328);(505.1160485,0.9649775582);(637.1583017,1.3947672);(638.1661263,0.8084370427);(681.1845142,0.734070701);(739.2083888,1.209001064);(752.2162134,1.354887428);(753.224038,1.30368493);(755.2033029,2.709958702);(756.2058978,1.279908694) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8520708524);(59.01275342,0.7788728407);(71.01275342,1.007301211);(72.02057802,1.222720303);(73.02840262,1.216036009);(73.04679982,1.6880039);(88.01549212,0.7326332979);(89.02331672,0.8879398242);(89.04171392,1.384001092);(101.0233167,1.242639706);(102.0311413,1.339430626);(103.0389659,1.116795118);(131.0522772,0.9078749866);(161.0628405,0.9140578442);(205.089053,1.731375196);(277.1101796,0.8606253611);(323.115657,0.7310733786);(336.1234816,0.7850507074);(439.1813933,1.023252832);(505.1160485,1.460136681);(519.1316977,0.9855384305);(681.1845142,0.7181954125);(709.1978255,0.8716732466);(710.2056501,0.6986765879);(739.2083888,1.388655487);(752.2162134,1.658675115);(753.2188258,0.8015833846);(753.224038,1.708671482);(754.2266515,0.8260013311);(755.2033029,3.158457256);(756.2058978,1.491733766) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8043488536);(56.99710422,1.534764771);(59.01275342,2.541435694);(71.01275342,0.9511382781);(72.02057802,1.154546497);(73.02840262,1.148234891);(73.04679982,1.593887812);(88.01549212,0.7650352083);(89.04171392,1.306834938);(102.0311413,1.421197721);(131.0522772,1.282032089);(133.0495292,1.236150056);(161.0444433,0.7678906216);(205.0706558,1.458290999);(221.0655699,1.101781308);(307.1207429,0.6921765877);(323.115657,1.108103399);(439.1813933,0.9662005038);(577.1555723,1.76489954);(578.1580171,0.7084043467);(591.1712215,0.8326706123);(637.1583017,0.8956338275);(638.1661263,0.817584726);(709.1978255,0.8603420347);(739.2083888,1.322168899);(752.2162134,1.566194279);(753.2188258,0.7568904239);(753.224038,1.519645764);(754.2266515,0.7346230315);(755.2033029,2.982354795);(756.2058978,1.408560886) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8216911096);(56.99710422,1.567244719);(59.01275342,2.595272367);(71.01275342,0.97155128);(72.02057802,1.179324976);(73.02840262,1.172877913);(73.04679982,1.628095283);(88.01549212,0.7814541302);(89.04171392,1.177967291);(102.0311413,1.451698977);(133.0495292,1.262679882);(161.0444433,0.7843708254);(162.0522679,0.69748169);(203.091801,0.7712691974);(205.0706558,0.9267193942);(221.0655699,0.6779998226);(233.1023643,0.7846276222);(337.1313062,1.12826658);(439.1813933,0.986936766);(577.1555723,1.259961221);(591.1712215,0.8505411019);(679.1872622,0.6755202709);(681.1845142,0.7878033223);(709.1978255,0.8788063989);(739.2083888,1.302235551);(752.2162134,1.523077199);(753.2188258,0.7360533503);(753.224038,1.561288126);(754.2266515,0.7547536691);(755.2033029,3.046361066);(756.2058978,1.438790934) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.16120839);(59.01275342,1.192765742);(73.04679982,1.508519561);(89.04171392,1.091451292);(131.0522772,0.8732246512);(159.0471913,1.184638081);(160.0550159,1.245663135);(161.0628405,1.747151518);(174.0706651,0.9295908544);(175.0784897,0.7880927493);(277.1101796,0.7691156354);(306.1129183,0.7858943929);(307.1207429,0.8506587846);(322.1078324,0.7068130694);(323.115657,0.7848598663);(343.0448348,0.9385875852);(359.0397489,0.8467167746);(409.17083,1.036591273);(425.1657441,0.8243978085);(505.1160485,1.304881313);(519.1316977,0.8807467807);(607.1477384,1.236404792);(608.155563,0.9591863144);(637.1583017,1.361577573);(638.1661263,0.8486613913);(681.1845142,0.7645884303);(739.2083888,1.40814727);(752.2162134,1.411214547);(753.224038,1.357883393);(755.2033029,2.822620584);(756.2058978,1.333118701) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8662993709);(71.01275342,1.410315079);(72.02057802,1.697753669);(73.02840262,1.849261852);(73.04679982,1.411994846);(87.00766752,0.7637371187);(88.01549212,0.8035455667);(89.02331672,0.8922711527);(89.04171392,1.021613269);(131.0522772,0.8173501616);(161.0628405,0.7645983314);(173.0628405,0.7983642784);(175.0784897,1.562466258);(205.089053,0.9705888435);(306.1129183,0.7356078509);(307.1207429,0.7962282033);(323.115657,0.73463952);(343.0448348,0.8785307577);(359.0397489,0.7925384282);(409.17083,0.970263544);(425.1657441,0.7716475721);(505.1160485,1.221386673);(519.1316977,0.8243909772);(637.1583017,1.373234405);(638.1661263,0.8055208117);(681.1845142,0.8305685836);(739.2083888,1.164094937);(752.2162134,1.254370383);(753.224038,1.102582394);(755.2033029,2.642011293);(756.2058978,1.247817253) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.9011152662);(56.99710422,1.037439689);(71.01275342,0.8764585258);(72.02057802,1.063895907);(73.02840262,1.058079864);(73.04679982,1.468741816);(89.02331672,0.7726015031);(89.04171392,1.062671108);(102.0311413,1.165446223);(103.0389659,0.971729799);(131.0522772,0.8501988263);(159.0471913,1.032869343);(160.0550159,1.10253651);(161.0628405,1.810927072);(205.089053,1.506479428);(277.1101796,0.7488350331);(306.1129183,0.765171356);(307.1207429,0.828227993);(323.115657,0.7641641086);(343.0448348,0.9138382228);(359.0397489,0.8243899288);(409.17083,1.009257678);(425.1657441,0.8026594854);(505.1160485,1.27047325);(519.1316977,0.8575226068);(637.1583017,0.9068168432);(739.2083888,1.193098022);(752.2162134,1.374002612);(753.224038,1.322077733);(755.2033029,2.748191664);(756.2058978,1.297966054) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8001149437);(56.99710422,1.526831451);(59.01275342,2.52828626);(71.01275342,0.9461541079);(72.02057802,1.148496424);(73.02840262,1.142217892);(73.04679982,1.585535495);(88.01549212,0.7610262584);(89.04171392,0.9002911381);(102.0311413,1.413750338);(131.0522772,0.8063901004);(133.0495292,1.229672362);(161.0444433,0.7638667087);(203.091801,0.9897936772);(205.0706558,0.8654263144);(221.0655699,1.336627668);(233.1023643,0.7641167926);(302.0420961,0.7151876861);(307.1207429,0.8694465254);(323.115657,1.00056812);(409.17083,1.070036686);(577.1555723,1.755651085);(591.1712215,0.8283072383);(681.1845142,0.7672094773);(709.1978255,0.8558336564);(739.2083888,1.15303339);(752.2162134,1.483262673);(753.2188258,0.7168122933);(753.224038,1.427208751);(755.2033029,2.966726612);(756.2058978,1.401179722) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.311258022);(59.01275342,0.8305219583);(73.04679982,1.702512343);(89.04171392,1.395896622);(131.0522772,0.8793982372);(145.0679264,0.7550631569);(161.0628405,0.9219141986);(173.0628405,0.7385534362);(174.0706651,1.049134492);(175.0784897,0.8894399967);(233.0839671,0.7339792249);(277.1101796,1.395240181);(293.1050937,1.285836078);(302.0420961,0.7679524469);(409.17083,0.7262527432);(439.1813933,0.7370440606);(505.1160485,2.107148845);(519.1316977,0.9940091626);(607.1477384,1.395404126);(608.155563,1.082535873);(637.1583017,1.009008062);(681.1845142,0.7243683234);(710.2056501,0.7266116735);(739.2083888,1.61502433);(740.2109824,0.7621676514);(752.2162134,1.672931477);(753.2188258,0.8084730176);(753.224038,1.62321065);(754.2266515,0.7846880874);(755.2033029,3.18560429);(756.2058978,1.504555262) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8535544045);(58.00492882,0.8638549239);(59.01275342,1.257584186);(71.01275342,1.389566572);(72.02057802,1.672776376);(73.02840262,1.822055575);(73.04679982,1.391221627);(87.00766752,0.8481558705);(88.01549212,0.976514781);(89.02331672,1.128981269);(89.04171392,1.006583329);(129.036628,0.9424240583);(131.0522772,1.80106563);(159.0471913,0.9783545015);(160.0550159,1.044344636);(161.0628405,1.715346345);(174.0706651,0.8767350985);(205.089053,1.069123818);(277.1101796,1.260717401);(293.1050937,1.050731272);(394.1473562,0.8285735935);(395.1551808,1.259059451);(425.1657441,0.8039684744);(505.1160485,1.326286346);(637.1583017,1.119742073);(681.1845142,0.7051363384);(739.2083888,1.168044924);(752.2162134,1.301482757);(753.224038,1.252298473);(755.2033029,2.603142114);(756.2058978,1.229459408) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.8270751619);(59.01275342,0.7993997616);(71.01275342,0.977887905);(72.02057802,1.187016737);(73.02840262,1.180527625);(73.04679982,1.638714001);(88.01549212,0.7112403255);(89.02331672,0.8620118843);(89.04171392,1.343588108);(101.0233167,1.206354491);(102.0311413,1.300319105);(103.0389659,1.084184578);(131.0522772,0.8464444969);(161.0628405,0.8873672552);(205.089053,1.680818851);(277.1101796,1.342956266);(293.1050937,1.237651869);(302.0420961,0.7391749211);(409.17083,0.6990378327);(439.1813933,0.7094247664);(505.1160485,2.028187536);(519.1316977,0.9567606005);(681.1845142,0.6972240279);(709.1978255,0.8255644757);(739.2083888,1.355996409);(752.2162134,1.610241621);(753.2188258,0.7781770621);(753.224038,1.562383984);(754.2266515,0.7552834259);(755.2033029,3.066229958);(756.2058978,1.448174977) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.7761684103);(59.01275342,0.7567949586);(71.01275342,0.7465772892);(72.02057802,0.8363788874);(73.02840262,1.136232819);(73.04679982,1.538288585);(89.04171392,1.112989919);(131.0522772,1.930160887);(173.0628405,0.683486576);(175.0784897,0.7554037199);(191.0734038,0.7013409307);(203.091801,1.414734066);(233.1023643,1.541262403);(302.0420961,0.6938760164);(349.1497034,0.830279152);(364.1367929,0.8192563567);(365.1446175,0.8978198121);(393.1395316,0.7940581625);(394.1473562,1.093112859);(395.1551808,1.209966167);(425.1657441,0.8889565135);(433.0765247,1.154298122);(447.0921739,0.6883720149);(681.1845142,0.7443476253);(709.1978255,0.8006768764);(739.2083888,1.231759559);(752.2162134,1.43906336);(753.2188258,0.6954522124);(753.224038,1.384679773);(755.2033029,2.878321989);(756.2058978,1.359426375) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,1.186193039);(59.01275342,1.218317348);(73.04679982,1.540835293);(89.02331672,0.9397617079);(89.04171392,1.263336967);(131.0522772,1.428068349);(145.0679264,0.7287487484);(161.0628405,1.155154372);(175.0784897,0.7389570526);(233.1023643,0.7389815276);(277.1285768,1.405380584);(302.0420961,0.6950247603);(349.1497034,0.8316537177);(364.1367929,0.8206126736);(365.1446175,0.8993061945);(393.1395316,0.7953727627);(394.1473562,1.094922558);(395.1551808,1.211969322);(425.1657441,0.8904282222);(433.0765247,1.156209116);(447.0921739,0.6895116467);(637.1583017,0.9760713827);(638.1661263,0.9129494376);(709.1978255,0.6918640827);(739.2083888,1.457393316);(752.2162134,1.514063538);(753.2188258,0.7316973435);(753.224038,1.46906439);(754.2266515,0.7101711207);(755.2033029,2.883087184);(756.2058978,1.361676969) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (43.01783932,0.7480317154);(59.01275342,1.229409524);(73.04679982,1.554863835);(89.02331672,0.9483177726);(89.04171392,0.8828753032);(131.0522772,0.7907907501);(145.0679264,1.004408053);(161.0628405,1.058094182);(203.091801,1.811818078);(233.1023643,0.956870556);(277.1285768,1.062536929);(302.0420961,0.7013526164);(349.1497034,0.8392255127);(364.1367929,0.8280839454);(365.1446175,0.9074939317);(393.1395316,0.8026142375);(394.1473562,1.104891285);(395.1551808,1.223003702);(425.1657441,0.8985351299);(433.0765247,1.166735827);(439.1813933,0.6731247258);(447.0921739,0.6957893086);(681.1845142,0.7523680632);(709.1978255,0.6981631623);(739.2083888,1.311592943);(752.2162134,1.454569446);(753.2188258,0.7029457961);(753.224038,1.399599869);(754.2266515,0.6765907704);(755.2033029,2.909336264);(756.2058978,1.374074363) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8235967283);(73.04679982,1.606882181);(89.02331672,0.9800439736);(89.04171392,1.224596936);(115.0573631,0.883829583);(161.0628405,0.7504691267);(174.0706651,0.7617817806);(175.0784897,0.8333867094);(191.0734038,0.7306982236);(205.089053,0.8460990465);(277.1101796,0.9767709321);(292.0972691,0.9640051501);(293.1050937,1.056455043);(321.1000078,0.9349389482);(322.1078324,1.287058663);(323.115657,1.424652575);(336.1234816,0.7065393373);(337.1313062,0.7729533025);(352.1183957,0.7582829433);(353.1262203,1.047378442);(367.1418695,0.7785071543);(577.1555723,0.9578498351);(781.2373493,0.8337232936);(811.2479126,0.7737391356);(824.2557372,1.858478301);(825.2581301,1.056885904);(825.2635618,1.833496383);(826.2659558,1.042954165);(827.2428267,4.026991498);(828.2452005,2.245911317);(829.2447774,1.147744342) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8188954855);(73.04679982,1.5977098);(89.02331672,0.974449701);(89.04171392,1.21760671);(115.0573631,0.8787845199);(161.0628405,0.7461853098);(174.0706651,0.757433389);(175.0784897,0.8286295836);(191.0734038,0.7265272627);(205.089053,0.8412693563);(277.1101796,0.9711953426);(292.0972691,0.95850243);(293.1050937,1.050424602);(321.1000078,0.9296021434);(322.1078324,1.279711894);(323.115657,1.416520394);(336.1234816,0.7025062798);(337.1313062,0.7685411418);(352.1183957,0.7539545237);(353.1262203,1.041399812);(367.1418695,0.7740632912);(577.1555723,0.9523822507);(781.2373493,0.8289642465);(811.2479126,0.7693224892);(824.2557372,1.847869763);(825.2581301,1.050853003);(825.2635618,1.823030446);(826.2659558,1.03700079);(827.2428267,4.004004684);(828.2452005,2.233091239);(829.2447774,1.141192805) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8248953201);(73.04679982,1.609415805);(89.02331672,0.9815892408);(89.04171392,1.226527798);(115.0573631,0.8852231459);(161.0628405,0.7516524158);(174.0706651,0.7629829067);(175.0784897,0.8347007374);(191.0734038,0.7318503392);(205.089053,0.8474331184);(277.1101796,0.9783110386);(292.0972691,0.9655251284);(293.1050937,1.05812079);(321.1000078,0.9364130969);(322.1078324,1.289088011);(323.115657,1.426898871);(336.1234816,0.7076533608);(337.1313062,0.7741720432);(352.1183957,0.7594785527);(353.1262203,1.049029878);(367.1418695,0.7797346519);(577.1555723,0.9593601081);(781.2373493,0.8350378523);(811.2479126,0.7749591153);(824.2557372,1.861408625);(825.2581301,1.05855233);(825.2635618,1.836387317);(826.2659558,1.044598625);(827.2428267,4.033340987);(828.2452005,2.249452518);(829.2447774,1.149554028) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8829480514);(73.04679982,1.722679853);(89.02331672,1.050669444);(89.04171392,1.312845767);(115.0573631,0.9475215008);(131.0522772,0.6932670172);(161.0628405,0.8045506135);(174.0706651,0.8166784977);(175.0784897,0.8934435335);(191.0734038,0.7833549485);(205.089053,0.907071967);(277.1101796,1.047160536);(293.1050937,0.7537360484);(306.1129183,0.7065742544);(322.1078324,0.7425894945);(323.115657,1.001706129);(336.1234816,0.8011776734);(337.1313062,0.6965278358);(439.1813933,1.27003478);(577.1555723,1.026875917);(679.1872622,0.8308481822);(680.1950868,0.7006528216);(709.1978255,0.8235976465);(811.2479126,0.6955229981);(824.2557372,1.68450385);(825.2581301,0.9579495077);(825.2635618,1.665338161);(826.2659558,0.9473001351);(827.2428267,4.317190895);(828.2452005,2.407759711);(829.2447774,1.230454901) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7752145912);(73.04679982,1.51248599);(89.02331672,0.9224713531);(89.04171392,1.152658068);(115.0573631,0.8319090707);(159.0471913,0.9149161535);(160.0550159,1.073659988);(161.0628405,1.525397374);(175.0784897,0.7844294605);(205.089053,0.7963950121);(277.1101796,0.9193905862);(292.0972691,0.9073747292);(293.1050937,0.9943936593);(305.1050937,0.8095995095);(306.1129183,1.150059267);(307.1207429,0.977371294);(321.1000078,0.7591816885);(322.1078324,0.8740777982);(323.115657,1.010553271);(409.17083,1.028208485);(415.0843586,0.8367879743);(425.1657441,0.8265654407);(577.1555723,0.9015810078);(709.1978255,0.9607679929);(824.2557372,1.415319168);(825.2581301,0.8048686267);(825.2635618,1.390187628);(826.2659558,0.7907852941);(827.2428267,3.79042614);(828.2452005,2.1139754);(829.2447774,1.080320174) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8400666226);(73.04679982,1.639015844);(89.02331672,0.9996424253);(89.04171392,1.249085841);(115.0573631,0.9015039852);(131.0522772,0.6595976749);(161.0628405,0.7654766501);(174.0706651,0.7770155291);(175.0784897,0.8500523791);(191.0734038,0.7453103779);(205.089053,0.8630189314);(234.0917917,0.6458972862);(277.1101796,1.485267161);(293.1050937,1.237879839);(374.0816199,0.6577610327);(393.1395316,0.6978475631);(394.1473562,0.97615306);(395.1551808,1.483313909);(409.17083,0.699166592);(424.1579195,0.6857345157);(425.1657441,0.9471654571);(439.1813933,0.709555439);(577.1555723,1.397917125);(811.2479126,0.6687899139);(824.2557372,1.602693905);(825.2581301,0.9114255434);(825.2635618,1.58445902);(826.2659558,0.9012933704);(827.2428267,4.107521352);(828.2452005,2.290823979);(829.2447774,1.170696386) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,1.633050408);(89.02331672,0.9960040815);(89.04171392,1.244539612);(115.0573631,0.8982228305);(131.0522772,1.191281066);(173.0628405,0.639177511);(174.0706651,0.8188758986);(175.0784897,0.7119128076);(277.1285768,1.302160765);(349.1497034,0.8814261001);(364.1367929,0.8697242773);(365.1446175,0.9531274073);(374.0816199,0.6553670159);(393.1395316,0.8429738212);(394.1473562,1.160450918);(395.1551808,1.284502636);(408.1630054,0.6367700429);(409.17083,0.6966218737);(424.1579195,0.6832386853);(425.1657441,0.9437181108);(439.1813933,0.7069729089);(505.1160485,1.088067127);(519.1316977,0.6487036853);(811.2479126,0.6593355776);(824.2557372,1.596860668);(825.2581301,0.9081082778);(825.2635618,1.578692151);(826.2659558,0.8980129822);(827.2428267,4.092571432);(828.2452005,2.282486193);(829.2447774,1.166435466) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.817962802);(73.04679982,1.495691044);(89.02331672,0.912228047);(89.04171392,1.139858722);(115.0573631,0.8226713863);(131.0522772,0.6817199974);(143.0522772,0.6980975697);(144.0601018,0.8403784108);(145.0679264,0.909630857);(159.0471913,1.190315834);(160.0550159,1.24109268);(161.0628405,1.64907917);(247.1180135,1.099855644);(277.1285768,0.7003240649);(349.1497034,0.8072874648);(364.1367929,0.7965699073);(365.1446175,0.8729578217);(393.1395316,0.7720694893);(394.1473562,1.062842908);(395.1551808,1.176460371);(425.1657441,0.8643399612);(439.1813933,0.6475079048);(505.1160485,0.9965474727);(709.1978255,0.9167769751);(824.2557372,1.399603182);(825.2581301,0.7959312047);(825.2635618,1.374750707);(826.2659558,0.7820042563);(827.2428267,3.748336492);(828.2452005,2.090501395);(829.2447774,1.068324083) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7548593994);(73.04679982,1.547409351);(89.02331672,0.943771253);(89.04171392,1.179272988);(115.0573631,1.368068136);(131.0522772,0.8546073056);(161.0628405,0.8981888544);(233.1023643,0.6629232953);(246.1101889,0.6526684627);(247.1180135,0.7140139637);(277.1285768,0.7245400121);(349.1497034,0.8352020141);(364.1367929,0.8241138628);(365.1446175,0.9031431339);(393.1395316,0.7987662644);(394.1473562,1.099594105);(395.1551808,1.217140256);(409.17083,0.6600893619);(424.1579195,0.6474080198);(425.1657441,0.8942272833);(439.1813933,0.6698975642);(505.1160485,1.031006293);(709.1978255,0.7876070926);(739.2083888,0.7231024834);(824.2557372,1.513117487);(825.2581301,0.8604849148);(825.2635618,1.495901772);(826.2659558,0.8509190406);(827.2428267,3.877947229);(828.2452005,2.162787175);(829.2447774,1.10526481) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8153574155);(73.04679982,1.590806832);(89.02331672,0.9702395529);(89.04171392,1.212345992);(115.0573631,0.874987697);(161.0628405,0.742961387);(174.0706651,0.7541608684);(175.0784897,0.825049457);(191.0734038,0.7233882732);(205.089053,0.8376346191);(277.1101796,0.9669992551);(292.0972691,0.9543611827);(293.1050937,1.045886201);(321.1000078,0.9255857609);(322.1078324,1.274182849);(323.115657,1.410400262);(337.1313062,0.7652206297);(352.1183957,0.7506970337);(353.1262203,1.036900403);(367.1418695,0.7707189204);(577.1555723,0.9482674458);(781.2373493,0.825382674);(811.2479126,0.7659986012);(812.2557372,0.7626579298);(824.2557372,1.839885969);(825.2581301,1.046312751);(825.2635618,1.815153972);(826.2659558,1.032520387);(827.2428267,3.986705225);(828.2452005,2.22344308);(829.2447774,1.136262237) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.818432324);(73.04679982,1.596806146);(89.02331672,0.9738985591);(89.04171392,1.21691804);(115.0573631,0.8782874856);(161.0628405,0.7457632727);(174.0706651,0.75700499);(175.0784897,0.8281609165);(191.0734038,0.726116344);(205.089053,0.8407935403);(277.1101796,0.9706460413);(292.0972691,0.9579603078);(293.1050937,1.049830489);(321.1000078,0.929076367);(322.1078324,1.278988098);(323.115657,1.41571922);(337.1313062,0.7681064604);(352.1183957,0.7535280924);(353.1262203,1.040810803);(367.1418695,0.7736254864);(577.1555723,0.95184359);(781.2373493,0.8284953902);(811.2479126,0.7688873658);(812.2557372,0.7655340959);(824.2557372,1.846824621);(825.2581301,1.050258648);(825.2635618,1.821999353);(826.2659558,1.036414269);(827.2428267,4.001740048);(828.2452005,2.231828218);(829.2447774,1.140547354) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8788815655);(73.04679982,1.714745917);(89.02331672,1.045830504);(89.04171392,1.306799354);(115.0573631,0.9431576169);(161.0628405,0.8008451931);(174.0706651,0.8129172214);(175.0784897,0.8893287099);(191.0734038,0.7797471464);(205.089053,0.9028943766);(277.1101796,1.042337756);(293.1050937,0.7502646584);(306.1129183,0.7033200717);(322.1078324,0.7391694408);(323.115657,0.9970926934);(336.1234816,0.7974877874);(337.1313062,0.6933199228);(439.1813933,1.264185536);(577.1555723,1.02214656);(679.1872622,0.8270216463);(680.1950868,0.6974259105);(709.1978255,0.8198045035);(811.2479126,0.6923197129);(812.2557372,0.693076245);(824.2557372,1.676745737);(825.2581301,0.9535375968);(825.2635618,1.657668317);(826.2659558,0.9429372707);(827.2428267,4.297307736);(828.2452005,2.396670587);(829.2447774,1.224787945) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7720430294);(73.04679982,1.5062981);(89.02331672,0.9186973337);(89.04171392,1.147942307);(115.0573631,0.8285055602);(159.0471913,0.911173044);(160.0550159,1.069267425);(161.0628405,1.519156661);(175.0784897,0.7812201988);(205.089053,0.7931367969);(277.1101796,0.9156291709);(292.0972691,0.9036624732);(293.1050937,0.990325391);(305.1050937,0.806287272);(306.1129183,1.145354138);(307.1207429,0.9733726677);(321.1000078,0.7560757206);(322.1078324,0.8705017668);(323.115657,1.006418891);(409.17083,1.024001874);(415.0843586,0.8333645032);(425.1657441,0.8231837921);(577.1555723,0.8978924551);(709.1978255,0.9568372941);(824.2557372,1.409528808);(825.2581301,0.8015757442);(825.2635618,1.384500085);(826.2659558,0.7875500294);(827.2428267,3.77491873);(828.2452005,2.105326693);(829.2447774,1.075900363) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.836343747);(73.04679982,1.631752311);(89.02331672,0.9952123666);(89.04171392,1.243550338);(115.0573631,0.8975088411);(131.0522772,0.6566745733);(161.0628405,0.7620843307);(174.0706651,0.7735720734);(175.0784897,0.8462852502);(191.0734038,0.7420074282);(205.089053,0.8591943394);(277.1101796,1.478684987);(293.1050937,1.232393997);(374.0816199,0.6548460704);(393.1395316,0.6947549516);(394.1473562,0.9718270978);(395.1551808,1.476740391);(409.17083,0.6960681351);(424.1579195,0.6826955849);(425.1657441,0.9429679576);(439.1813933,0.7064109424);(577.1555723,1.391722055);(811.2479126,0.6658260755);(812.2557372,0.6691221157);(824.2557372,1.595591337);(825.2581301,0.9073864306);(825.2635618,1.577437263);(826.2659558,0.8972991597);(827.2428267,4.089318283);(828.2452005,2.280671865);(829.2447774,1.165508277) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,1.62290733);(89.02331672,0.9898177771);(89.04171392,1.236809623);(115.0573631,0.8926438576);(131.0522772,1.183952513);(173.0628405,0.6352075005);(174.0706651,0.8137897593);(175.0784897,0.7074910292);(277.1285768,1.294072883);(349.1497034,0.8759514537);(364.1367929,0.8643223124);(365.1446175,0.9472074153);(374.0816199,0.6512964504);(393.1395316,0.8377380067);(394.1473562,1.153243214);(395.1551808,1.276524432);(409.17083,0.6922950692);(424.1579195,0.6789950055);(425.1657441,0.9378565611);(439.1813933,0.7025818129);(505.1160485,1.081309008);(519.1316977,0.6446745066);(811.2479126,0.6552403629);(812.2557372,0.6559563766);(824.2557372,1.586942369);(825.2581301,0.9024679052);(825.2635618,1.5688867);(826.2659558,0.8924353127);(827.2428267,4.067151965);(828.2452005,2.268309389);(829.2447774,1.159190592) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.813243149);(73.04679982,1.487060893);(89.02331672,0.9069644826);(89.04171392,1.133281727);(115.0573631,0.8179245646);(131.0522772,0.6777864666);(143.0522772,0.6940695402);(144.0601018,0.8355294195);(145.0679264,0.9043822784);(159.0471913,1.183447701);(160.0550159,1.233931563);(161.0628405,1.639563968);(247.1180135,1.093509466);(277.1285768,0.6962831884);(349.1497034,0.8026294085);(364.1367929,0.7919736915);(365.1446175,0.8679208469);(393.1395316,0.7676146411);(394.1473562,1.056710295);(395.1551808,1.169672183);(425.1657441,0.8593527115);(505.1160485,0.9907973844);(709.1978255,0.9114871633);(812.2557372,0.6553014682);(824.2557372,1.391527458);(825.2581301,0.7913386742);(825.2635618,1.366818382);(826.2659558,0.7774920844);(827.2428267,3.726708555);(828.2452005,2.078439182);(829.2447774,1.062159843) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7517001627);(73.04679982,1.540933136);(89.02331672,0.9398213826);(89.04171392,1.174337496);(115.0573631,1.362342498);(131.0522772,0.8510306041);(161.0628405,0.8944297555);(233.1023643,0.6601488295);(246.1101889,0.6499369154);(247.1180135,0.7110256733);(277.1285768,0.7215076681);(349.1497034,0.8317065276);(364.1367929,0.8206647824);(365.1446175,0.8993633003);(393.1395316,0.7954232687);(394.1473562,1.094992085);(395.1551808,1.212046282);(409.17083,0.6573267566);(424.1579195,0.6446984885);(425.1657441,0.8904847643);(439.1813933,0.6670939096);(505.1160485,1.026691327);(709.1978255,0.7843108003);(739.2083888,0.7200761557);(824.2557372,1.50678479);(825.2581301,0.8568836143);(825.2635618,1.489641125);(826.2659558,0.8473577752);(827.2428267,3.861717249);(828.2452005,2.153735481);(829.2447774,1.100639057) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8483872788);(73.04679982,1.655249899);(89.02331672,1.009543641);(89.04171392,1.261457734);(115.0573631,0.9104331635);(161.0628405,0.7730585107);(174.0706651,0.7847116795);(175.0784897,0.8584719417);(191.0734038,0.7526924964);(205.089053,0.8715669246);(277.1101796,1.00617208);(292.0972691,0.9930220433);(293.1050937,1.088254711);(321.1000078,0.9630809385);(322.1078324,1.325799581);(323.115657,1.467535117);(336.1234816,0.7278064192);(337.1313062,0.7962194681);(352.1183957,0.7811075259);(353.1262203,1.0789049);(367.1418695,0.8019404928);(577.1555723,0.9866814511);(781.2373493,0.8588186572);(811.2479126,0.797028955);(824.2557372,1.91441915);(825.2581301,1.08869854);(825.2635618,1.888685268);(826.2659558,1.074347452);(827.2428267,2.765470237);(828.2452005,1.54234269);(829.2447774,0.7881945664) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8235403273);(73.04679982,1.60677214);(89.02331672,0.9799768589);(89.04171392,1.224513074);(115.0573631,0.8837690572);(161.0628405,0.7504177335);(174.0706651,0.7617296128);(175.0784897,0.833329638);(191.0734038,0.7306481844);(205.089053,0.8460411045);(277.1101796,0.9767040415);(292.0972691,0.9639391337);(293.1050937,1.056382696);(321.1000078,0.9348749223);(322.1078324,1.286970524);(323.115657,1.424555012);(336.1234816,0.7064909525);(337.1313062,0.7729003696);(352.1183957,0.7582310151);(353.1262203,1.047306716);(367.1418695,0.7784538411);(577.1555723,0.9577842402);(781.2373493,0.8336661991);(811.2479126,0.7736861489);(824.2557372,1.85835103);(825.2581301,1.056813527);(825.2635618,1.833370823);(826.2659558,1.042882742);(827.2428267,4.026715724);(828.2452005,2.245757514);(829.2447774,1.147665743) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8829962414);(73.04679982,1.722773874);(89.02331672,1.050726788);(89.04171392,1.31291742);(115.0573631,0.9475732152);(131.0522772,0.6933048548);(161.0628405,0.8045945247);(174.0706651,0.8167230709);(175.0784897,0.8934922964);(191.0734038,0.7833977029);(205.089053,0.9071214737);(277.1101796,1.047217688);(293.1050937,0.7537771862);(306.1129183,0.7066128182);(322.1078324,0.742630024);(323.115657,1.001760801);(336.1234816,0.8012214006);(337.1313062,0.6965658514);(439.1813933,1.270104096);(577.1555723,1.026931962);(679.1872622,0.8308935287);(680.1950868,0.7006910622);(709.1978255,0.8236425973);(811.2479126,0.6955609588);(824.2557372,1.684595788);(825.2581301,0.9580017912);(825.2635618,1.665429053);(826.2659558,0.9473518374);(827.2428267,4.317426521);(828.2452005,2.407891123);(829.2447774,1.230522057) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7738618422);(73.04679982,1.509846703);(89.02331672,0.9208616411);(89.04171392,1.15064668);(115.0573631,0.8304573899);(159.0471913,0.9133196253);(160.0550159,1.071786452);(161.0628405,1.522735557);(175.0784897,0.7830606316);(205.089053,0.7950053033);(277.1101796,0.9177862502);(292.0972691,0.9057913609);(293.1050937,0.9926584429);(305.1050937,0.8081867589);(306.1129183,1.148052414);(307.1207429,0.9756657817);(321.1000078,0.7578569169);(322.1078324,0.8725525329);(323.115657,1.008789856);(409.17083,1.026414262);(415.0843586,0.8353277797);(425.1657441,0.8251230845);(577.1555723,0.9000077495);(709.1978255,0.9590914533);(824.2557372,1.412849437);(825.2581301,0.8034641314);(825.2635618,1.387761751);(826.2659558,0.7894053742);(827.2428267,3.783811849);(828.2452005,2.110286514);(829.2447774,1.078435016) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8400666226);(73.04679982,1.639015844);(89.02331672,0.9996424253);(89.04171392,1.249085841);(115.0573631,0.9015039852);(131.0522772,0.6595976749);(161.0628405,0.7654766501);(174.0706651,0.7770155291);(175.0784897,0.8500523791);(191.0734038,0.7453103779);(205.089053,0.8630189314);(234.0917917,0.6458972862);(277.1101796,1.485267161);(293.1050937,1.237879839);(374.0816199,0.6577610327);(393.1395316,0.6978475631);(394.1473562,0.97615306);(395.1551808,1.483313909);(409.17083,0.699166592);(424.1579195,0.6857345157);(425.1657441,0.9471654571);(439.1813933,0.709555439);(577.1555723,1.397917125);(811.2479126,0.6687899139);(824.2557372,1.602693905);(825.2581301,0.9114255434);(825.2635618,1.58445902);(826.2659558,0.9012933704);(827.2428267,4.107521352);(828.2452005,2.290823979);(829.2447774,1.170696386) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,1.627152929);(89.02331672,0.9924071853);(89.04171392,1.240045173);(115.0573631,0.8949790544);(131.0522772,1.187020137);(173.0628405,0.6368692321);(174.0706651,0.8159186702);(175.0784897,0.7093418578);(277.1285768,1.297458237);(349.1497034,0.8782429824);(364.1367929,0.8665834188);(365.1446175,0.9496853529);(374.0816199,0.6530002715);(393.1395316,0.8399295673);(394.1473562,1.156260151);(395.1551808,1.279863877);(408.1630054,0.6344704583);(409.17083,0.6941061445);(424.1579195,0.6807712872);(425.1657441,0.9403100364);(439.1813933,0.7044197987);(505.1160485,1.084137761);(519.1316977,0.6463610043);(811.2479126,0.6569545014);(824.2557372,1.591093882);(825.2581301,0.9048288021);(825.2635618,1.572990978);(826.2659558,0.894769964);(827.2428267,4.077791819);(828.2452005,2.274243389);(829.2447774,1.162223087) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8165411556);(73.04679982,1.493091483);(89.02331672,0.9106425644);(89.04171392,1.13787761);(115.0573631,0.8212415561);(131.0522772,0.6805351455);(143.0522772,0.696884253);(144.0601018,0.8389178053);(145.0679264,0.9080498884);(159.0471913,1.188247026);(160.0550159,1.23893562);(161.0628405,1.646213016);(247.1180135,1.097944058);(277.1285768,0.6991068784);(349.1497034,0.8058843724);(364.1367929,0.7951854424);(365.1446175,0.871440592);(393.1395316,0.7707276069);(394.1473562,1.060995652);(395.1551808,1.174415644);(425.1657441,0.8628377097);(439.1813933,0.6463825146);(505.1160485,0.9948154401);(709.1978255,0.9151835863);(824.2557372,1.397170625);(825.2581301,0.7945478499);(825.2635618,1.372361344);(826.2659558,0.7806451069);(827.2428267,3.741821759);(828.2452005,2.086868034);(829.2447774,1.066467301) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7548593994);(73.04679982,1.547409351);(89.02331672,0.943771253);(89.04171392,1.179272988);(115.0573631,1.368068136);(131.0522772,0.8546073056);(161.0628405,0.8981888544);(233.1023643,0.6629232953);(246.1101889,0.6526684627);(247.1180135,0.7140139637);(277.1285768,0.7245400121);(349.1497034,0.8352020141);(364.1367929,0.8241138628);(365.1446175,0.9031431339);(393.1395316,0.7987662644);(394.1473562,1.099594105);(395.1551808,1.217140256);(409.17083,0.6600893619);(424.1579195,0.6474080198);(425.1657441,0.8942272833);(439.1813933,0.6698975642);(505.1160485,1.031006293);(709.1978255,0.7876070926);(739.2083888,0.7231024834);(824.2557372,1.513117487);(825.2581301,0.8604849148);(825.2635618,1.495901772);(826.2659558,0.8509190406);(827.2428267,3.877947229);(828.2452005,2.162787175);(829.2447774,1.10526481) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8900303418);(73.04679982,1.736497788);(89.02331672,1.059097059);(89.04171392,1.323376347);(115.0573631,0.9551217469);(131.0522772,0.6988278408);(161.0628405,0.8110040635);(174.0706651,0.8232292277);(175.0784897,0.9006100102);(191.0734038,0.7896383841);(205.089053,0.9143477599);(277.1101796,1.055560005);(293.1050937,0.7597819053);(306.1129183,0.7122418178);(322.1078324,0.7485459428);(323.115657,1.009741);(336.1234816,0.8076040685);(337.1313062,0.7021148151);(439.1813933,1.280221965);(577.1555723,1.035112679);(679.1872622,0.8375125699);(680.1950868,0.7062728881);(709.1978255,0.8302038763);(811.2479126,0.7011019174);(824.2557372,1.698015569);(825.2581301,0.9656333988);(825.2635618,1.678696148);(826.2659558,0.9548986056);(827.2428267,4.351819885);(828.2452005,2.427072799);(829.2447774,1.240324608) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7834182086);(73.04679982,1.528491696);(89.02331672,0.9322332979);(89.04171392,1.164855936);(115.0573631,0.8407126508);(159.0471913,0.9245981462);(160.0550159,1.085021869);(161.0628405,1.541539713);(175.0784897,0.7927305932);(205.089053,0.8048227688);(277.1101796,0.9291199291);(292.0972691,0.9169769158);(293.1050937,1.004916713);(305.1050937,0.8181670013);(306.1129183,1.162229634);(307.1207429,0.987714211);(321.1000078,0.7672156396);(322.1078324,0.8833276239);(323.115657,1.021247333);(409.17083,1.039089381);(415.0843586,0.8456431847);(425.1657441,0.8353124725);(577.1555723,0.9111218829);(709.1978255,0.9709352073);(824.2557372,1.430296617);(825.2581301,0.8133860544);(825.2635618,1.404899125);(826.2659558,0.7991536866);(827.2428267,3.83053788);(828.2452005,2.136346296);(829.2447774,1.091752536) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8465017486);(73.04679982,1.651571126);(89.02331672,1.007299943);(89.04171392,1.25865416);(115.0573631,0.9084097371);(131.0522772,0.6646503624);(161.0628405,0.7713403978);(174.0706651,0.7829676675);(175.0784897,0.8565639985);(191.0734038,0.7510196467);(205.089053,0.869629878);(234.0917917,0.6508450252);(277.1101796,1.496644689);(293.1050937,1.247362316);(374.0816199,0.6627996511);(393.1395316,0.7031932546);(394.1473562,0.983630643);(395.1551808,1.494676474);(409.17083,0.7045223876);(424.1579195,0.6909874181);(425.1657441,0.9544209876);(439.1813933,0.7149908158);(577.1555723,1.40862553);(811.2479126,0.6739130163);(824.2557372,1.614970952);(825.2581301,0.9184072971);(825.2635618,1.596596383);(826.2659558,0.908197509);(827.2428267,4.13898602);(828.2452005,2.308372279);(829.2447774,1.179664221) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,1.642476103);(89.02331672,1.001752851);(89.04171392,1.251722887);(115.0573631,0.9034072232);(131.0522772,1.19809054);(173.0628405,0.6428667372);(174.0706651,0.823602314);(175.0784897,0.7160218498);(277.1285768,1.30967662);(349.1497034,0.8865135448);(364.1367929,0.874744181);(365.1446175,0.9586287001);(374.0816199,0.6591496852);(393.1395316,0.8478393257);(394.1473562,1.167148847);(395.1551808,1.291916571);(408.1630054,0.6404453736);(409.17083,0.7006426592);(424.1579195,0.6871822253);(425.1657441,0.9491650946);(439.1813933,0.7110534388);(505.1160485,1.094347269);(519.1316977,0.652447895);(811.2479126,0.6631411528);(824.2557372,1.606077481);(825.2581301,0.9133497276);(825.2635618,1.5878041);(826.2659558,0.9031961637);(827.2428267,4.116193073);(828.2452005,2.295660323);(829.2447774,1.173167938) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8235226816);(73.04679982,1.505857597);(89.02331672,0.9184286689);(89.04171392,1.147606602);(115.0573631,0.8282632711);(131.0522772,0.6863538036);(143.0522772,0.7028426979);(144.0601018,0.8460906544);(145.0679264,0.9158138252);(159.0471913,1.198406682);(160.0550159,1.24952867);(161.0628405,1.660288337);(247.1180135,1.107331613);(277.1285768,0.7050843271);(349.1497034,0.8127747816);(364.1367929,0.8019843745);(365.1446175,0.8788915149);(393.1395316,0.7773174216);(394.1473562,1.070067294);(395.1551808,1.18445704);(425.1657441,0.8702150768);(439.1813933,0.6519091635);(505.1160485,1.003321233);(709.1978255,0.9230085171);(824.2557372,1.409116603);(825.2581301,0.8013413305);(825.2635618,1.3840952);(826.2659558,0.7873197174);(827.2428267,3.773814789);(828.2452005,2.104711009);(829.2447774,1.075585726) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.7589316514);(73.04679982,1.555757185);(89.02331672,0.9488626307);(89.04171392,1.18563483);(115.0573631,1.375448474);(131.0522772,0.8592176691);(161.0628405,0.9030343281);(233.1023643,0.6664995781);(246.1101889,0.6561894236);(247.1180135,0.7178658662);(277.1285768,0.7284486996);(349.1497034,0.8397076916);(364.1367929,0.8285597229);(365.1446175,0.9080153345);(393.1395316,0.8030753814);(394.1473562,1.105526103);(395.1551808,1.223706381);(409.17083,0.6636503564);(424.1579195,0.6509006021);(425.1657441,0.8990513854);(439.1813933,0.6735114712);(505.1160485,1.036568279);(709.1978255,0.7918560091);(739.2083888,0.7270034159);(824.2557372,1.521280326);(825.2581301,0.8651269864);(825.2635618,1.503971736);(826.2659558,0.8555095071);(827.2428267,3.898867653);(828.2452005,2.174454798);(829.2447774,1.111227399) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (59.01275342,0.8736670226);(73.04679982,1.704572059);(89.02331672,1.039625427);(89.04171392,1.299045907);(115.0573631,0.937561714);(131.0522772,0.6859798035);(160.0550159,0.6568511538);(161.0628405,0.7960936523);(174.0706651,0.8080940553);(175.0784897,0.8840521824);(191.0734038,0.7751207836);(203.091801,0.8000506341);(205.089053,0.8975373618);(233.1023643,0.821484059);(234.0917917,0.6717314362);(277.1101796,1.036153402);(293.1050937,0.7458132199);(306.1129183,0.6417285023);(409.17083,1.172759786);(416.0921832,0.6474155699);(511.2209171,1.116682313);(577.1555723,1.016082003);(709.1978255,0.7700323816);(753.224038,0.9191651261);(824.2557372,1.290398485);(825.2581301,0.733828298);(825.2635618,1.269611687);(826.2659558,0.72219766);(827.2428267,4.271811132);(828.2452005,2.382450762);(829.2447774,1.217521085) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (125.0233204,1.12758906);(163.0600999,1.639132106);(285.0393644,7.152627773);(287.0550145,6.607615663);(289.0706646,1.966560823);(301.034279,8.014947502);(303.0499291,28.60151192);(305.0655792,3.331925514);(447.0921878,2.310082384);(449.1078379,0.9758443829);(463.0871025,1.029219833);(465.1027525,2.918996034);(609.1450113,9.510061632);(627.155576,4.872629057) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (123.0440559,1.633042799);(125.0233204,2.344529815);(145.0495352,1.354451053);(163.0600999,2.536333446);(273.0393644,2.897299003);(275.0550145,6.815861336);(277.0706646,1.819900966);(285.0393644,3.325513381);(287.0550145,6.185851657);(301.034279,2.634890316);(303.0499291,29.97773896);(305.0655792,11.73161205);(449.1078379,1.754299596);(465.1027525,1.773284948);(609.1450113,3.224417869) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01784114,0.8496687651);(45.0334912,0.6814009231);(51.02292652,0.672845178);(93.0334912,0.6445580032);(121.0284058,3.855217539);(123.0440559,6.904458636);(125.0233204,3.775498086);(137.0233204,4.532606675);(139.0389705,1.659442095);(145.0495352,0.9836058808);(147.0651853,1.040290876);(151.002585,0.738905293);(153.0182351,0.710748746);(163.0600999,2.523043382);(217.0495352,0.6536214787);(227.0338851,2.601787883);(229.0495352,1.007207493);(243.0287997,5.700335691);(245.0444498,4.055132032);(273.0393644,0.7137175508);(275.0550145,2.044176682);(285.0393644,4.313501887);(287.0550145,2.036115813);(301.034279,1.809511338);(303.0499291,11.37511168);(305.0655792,1.223193107);(309.1180087,0.6368566216);(565.1187965,0.8591667951);(567.1344466,0.6034908303);(569.1500966,0.64763094);(609.1450113,1.153520567) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (145.04954,15.43);(145.04954,15.43);(145.04954,15.43);(145.04954,15.43);(145.04954,15.43);(303.04993,22.1);(303.04993,22.1);(303.04993,22.1);(303.04993,22.1);(303.04993,22.1);(303.04993,22.1);(303.04993,22.1);(303.04993,22.1);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(305.06558,45.96);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(447.09219,11.56);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(449.10784,26.24);(465.10275,24.04);(465.10275,24.04);(465.10275,24.04);(465.10275,24.04);(465.10275,24.04);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(467.1184,63.68);(567.13445,7.54);(567.13445,7.54);(567.13445,7.54);(567.13445,7.54);(567.13445,7.54);(567.13445,7.54);(567.13445,7.54);(567.13445,7.54);(591.13445,10.27);(591.13445,10.27);(591.13445,10.27);(591.13445,10.27);(599.16066,11.59);(599.16066,11.59);(599.16066,11.59);(599.16066,11.59);(599.16066,11.59);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(609.14501,71.67);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0);(627.15558,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (43.01784,30.75);(45.03349,11.89);(57.03349,7.85);(75.04406,5.65);(75.04406,5.65);(85.02841,6.94);(85.02841,6.94);(129.01824,4.33);(133.04954,5.12);(133.04954,5.12);(143.03389,8.37);(143.03389,8.37);(143.03389,8.37);(145.04954,18.9);(145.04954,18.9);(145.04954,18.9);(145.04954,18.9);(145.04954,18.9);(147.06519,9.56);(147.06519,9.56);(147.06519,9.56);(147.06519,9.56);(147.06519,9.56);(163.0601,8.39);(163.0601,8.39);(163.0601,8.39);(163.0601,8.39);(163.0601,8.39);(163.0601,8.39);(163.0601,8.39);(181.07066,7.76);(181.07066,7.76);(181.07066,7.76);(181.07066,7.76);(181.07066,7.76);(235.08123,5.8);(235.08123,5.8);(235.08123,5.8);(287.05501,9.19);(287.05501,9.19);(287.05501,9.19);(287.05501,9.19);(287.05501,9.19);(287.05501,9.19);(287.05501,9.19);(287.05501,9.19);(301.03428,5.09);(301.03428,5.09);(303.04993,71.2);(303.04993,71.2);(303.04993,71.2);(303.04993,71.2);(303.04993,71.2);(303.04993,71.2);(303.04993,71.2);(303.04993,71.2);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(421.07654,10.42);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(447.09219,23.62);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(449.10784,28.11);(465.10275,20.51);(465.10275,20.51);(465.10275,20.51);(465.10275,20.51);(465.10275,20.51);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(467.1184,41.02);(507.11332,7.88);(553.1188,7.43);(565.1188,5.77);(565.1188,5.77);(565.1188,5.77);(567.13445,12.07);(567.13445,12.07);(567.13445,12.07);(567.13445,12.07);(567.13445,12.07);(567.13445,12.07);(567.13445,12.07);(567.13445,12.07);(583.12936,7.36);(583.12936,7.36);(599.16066,25.15);(599.16066,25.15);(599.16066,25.15);(599.16066,25.15);(599.16066,25.15);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(609.14501,33.29);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46);(627.15558,52.46) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (55.01784,15.63);(57.03349,21.67);(73.02841,15.25);(73.02841,15.25);(73.02841,15.25);(75.04406,20.91);(75.04406,20.91);(89.05971,32.25);(89.05971,32.25);(133.04954,19.94);(133.04954,19.94);(145.04954,15.72);(145.04954,15.72);(145.04954,15.72);(145.04954,15.72);(145.04954,15.72);(147.06519,93.69);(147.06519,93.69);(147.06519,93.69);(147.06519,93.69);(147.06519,93.69);(163.0601,18.93);(163.0601,18.93);(163.0601,18.93);(163.0601,18.93);(163.0601,18.93);(163.0601,18.93);(163.0601,18.93);(179.03389,18.49);(179.03389,18.49);(187.03897,15.4);(215.03389,28.05);(231.0288,17.79);(233.06558,20.11);(233.06558,20.11);(245.04445,17.19);(267.10744,15.65);(267.10744,15.65);(267.10744,15.65);(285.03936,21.33);(285.03936,21.33);(285.03936,21.33);(287.05501,40.98);(287.05501,40.98);(287.05501,40.98);(287.05501,40.98);(287.05501,40.98);(287.05501,40.98);(287.05501,40.98);(287.05501,40.98);(289.07066,24.64);(289.07066,24.64);(289.07066,24.64);(289.07066,24.64);(289.07066,24.64);(289.07066,24.64);(289.07066,24.64);(289.07066,24.64);(301.03428,15.55);(301.03428,15.55);(303.04993,86.37);(303.04993,86.37);(303.04993,86.37);(303.04993,86.37);(303.04993,86.37);(303.04993,86.37);(303.04993,86.37);(303.04993,86.37);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(305.06558,100.0);(363.07106,19.46);(393.08162,19.66);(433.11292,17.23);(433.11292,17.23);(433.11292,17.23);(433.11292,17.23);(433.11292,17.23);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(449.10784,21.0);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(451.12349,18.55);(465.10275,31.58);(465.10275,31.58);(465.10275,31.58);(465.10275,31.58);(465.10275,31.58);(599.16066,26.63);(599.16066,26.63);(599.16066,26.63);(599.16066,26.63);(599.16066,26.63);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85);(627.15558,28.85) |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Onion | Vegetables, Onion-family | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available