Molecules in the Library

Name Sum Formula Exact Mass Pubchem ID Spectra Count Tags [M-H]- [M+Cl]- [M-H2O-H]- [M-H2O+H]+ [M+H]+ [M+Na]+ [M+NH4]+ [M+CH3OH+H]+ [M+K]+
XYLITOL C5H12O5 152.06847348 6912 1 - 151.06119702990924 187.03787475990924 133.05063234990922 135.06518525009076 153.07574994009076 175.05769418009078 170.10229903009076 185.10196468009076 191.03163139009075
XANTHURENIC ACID C10H7NO4 205.0375077 5699 3 - 204.03023124990924 240.00690897990924 186.01966656990925 188.03421947009076 206.04478416009076 228.02672840009078 223.07133325009076 238.07099890009076 244.00066561009078
XANTHOSINE 5'-MONOPHOSPHATE C10H13N4O9P 364.042015 73323 1 - 363.03473853990926 399.01141627990927 345.02417385990924 347.03872676009075 365.0492914500907 387.03123570009075 382.0758405400907 397.07550620009073 403.0051729100907
XANTHOSINE C10H12N4O6 284.0756841 64959 2 - 283.06840764990926 319.04508537990927 265.05784296990925 267.07239587009076 285.0829605600907 307.06490480009074 302.10950965009073 317.1091753000907 323.0388420100907
XANTHINE C5H4N4O2 152.03342537 1188 2 - 151.02614891990925 187.00282664990922 133.01558422990922 135.03013714009077 153.04070182009076 175.02264607009076 170.06725092009077 185.06691657009077 190.99658328009076
VITAMIN D2 C28H44O 396.33921603 5280793 0 - 395.33193957990926 431.30861730990927 377.32137488990924 379.33592780009076 397.3464924800907 419.32843673009074 414.3730415800907 429.3727072300907 435.3023739400907
VITAMIN B12 C63H88CoN14O14P 1354.5673995 5311498 0 - 1353.5601230399093 1389.5368007799093 1335.5495583599093 1337.5641112600908 1355.5746759500908 1377.5566202000907 1372.6012250400906 1387.6008907000908 1393.5305574100908
UROCANATE C6H6N2O2 138.04292743 736715 2 - 137.03565097990924 173.01232870990924 119.02508629990923 121.03963920009076 139.05020388009078 161.03214813009077 156.07675298009076 171.07641863009076 177.00608534009078
URIDINE-5-MONOPHOSPHATE C9H13N2O9P 324.035867 6030 10 - 323.02859053990926 359.0052682799093 305.01802585990924 307.03257876009076 325.0431434500907 347.02508770009075 342.0696925400907 357.06935820009073 362.9990249100907
URIDINE 5'-TRIPHOSPHATE C9H15N2O15P3 483.96852878 337 2 - 482.96125232990926 518.9379300599093 464.9506876399093 466.96524055009075 484.9758052300907 506.95774948009074 502.0023543300907 517.0020199800907 522.9316866900907
URIDINE 5'-TRIPHOSPHATE C9H15N2O15P3 483.96852878 6133 3 - 482.96125232990926 518.9379300599093 464.9506876399093 466.96524055009075 484.9758052300907 506.95774948009074 502.0023543300907 517.0020199800907 522.9316866900907
URIDINE 5'-DIPHOSPHOGLUCURONIC ACID C15H22N2O18P2 580.03428586 17473 2 - 579.0270094099093 615.0036871399093 561.0164447299093 563.0309976300907 581.0415623200907 603.0235065600907 598.0681114100908 613.0677770600907 618.9974437700907
URIDINE 5'-DIPHOSPHOGLUCOSE C15H24N2O17P2 566.05502131 8629 4 - 565.0477448599092 601.0244225899092 547.0371801699092 549.0517330800907 567.0622977600907 589.0442420100908 584.0888468600907 599.0885125100907 605.0181792200907
URIDINE 5'-DIPHOSPHOGALACTOSE C15H24N2O17P2 566.05502131 23724458 1 - 565.0477448599092 601.0244225899092 547.0371801699092 549.0517330800907 567.0622977600907 589.0442420100908 584.0888468600907 599.0885125100907 605.0181792200907
URIDINE 5'-DIPHOSPHO-N-ACETYLGLUCOSAMINE C17H27N3O17P2 607.0815704 445675 1 - 606.0742939499092 642.0509716799093 588.0637292699092 590.0782821700907 608.0888468600907 630.0707911000908 625.1153959500907 640.1150616000907 646.0447283100907
URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINE C17H27N3O17P2 607.0815704 23724461 1 - 606.0742939499092 642.0509716799093 588.0637292699092 590.0782821700907 608.0888468600907 630.0707911000908 625.1153959500907 640.1150616000907 646.0447283100907
URIDINE 5'-DIPHOSPHATE C9H14N2O12P2 404.00219789 6031 8 - 402.99492143990926 438.97159916990927 384.98435674990924 386.99890966009076 405.0094743400907 426.99141859009075 422.03602344009073 437.0356890900907 442.9653558000907
URIDINE C9H12N2O6 244.0695361 6029 4 - 243.06225964990924 279.03893737990927 225.05169496990925 227.06624787009076 245.07681256009076 267.05875680009075 262.10336165009073 277.10302730009073 283.0326940100907
URATE C5H4N4O3 168.02833999 1175 1 - 167.02106353990925 202.99774126990923 149.01049884990923 151.02505176009078 169.03561644009076 191.01756069009076 186.06216554009077 201.06183119009077 206.99149790009076
URACIL C4H4N2O2 112.02727737 1174 1 - 111.02000091990924 146.99667864990923 93.00943622990924 95.02398914009076 113.03455382009076 135.01649807009076 130.06110292009078 145.06076857009077 150.99043528009076
Undecanoic acid C11H22O2 186.16197994 8180 1 - 185.15470348990922 221.13138121990923 167.14413880990924 169.15869171009078 187.16925640009077 209.15120064009076 204.19580549009078 219.19547114009077 225.12513785009077
TYRAMINE C8H11NO 137.08406397 5610 3 - 136.07678751990923 172.05346524990924 118.06622283990923 120.08077574009076 138.09134042009077 160.07328467009077 155.11788952009076 170.11755517009075 176.04722188009077
TRYPTAMINE C10H12N2 160.10004838 1150 2 - 159.09277192990925 195.06944965990922 -1.0 -1.0 161.10732484009077 183.08926908009076 178.13387393009077 193.13353958009077 199.06320629009076
Tripalmitin C51H98O6 806.73634086 11147 7 - 805.7290643999092 841.7057421399093 787.7184997199092 789.7330526200907 807.7436173100907 829.7255615600907 824.7701664000907 839.7698320600907 845.6994987700907
TRIMETHYLAMINE C3H9N 59.07349929 1146 0 - 58.066222839909244 94.04290056990924 -1.0 -1.0 60.08077574009076 82.06271999009077 77.10732484009077 92.10699049009077 98.03665720009076
439 molecule(s) with at least one fragmentation spectrum