Molecules in the Library

Name Sum Formula Exact Mass Pubchem ID Spectra Count Tags [M-H]- [M+Cl]- [M-H2O-H]- [M+CH2O2-H]- [M-H2O+H]+ [M+H]+ [M+Na]+ [M+NH4]+ [M+CH3OH+H]+ [M+K]+
XYLITOL C5H12O5 152.06847 6912 1 - 151.06120 187.03787 133.05063 None 135.06519 153.07575 175.05769 170.10230 185.10196 191.03163
XANTHURENIC ACID C10H7NO4 205.03751 5699 3 - 204.03023 240.00691 186.01967 None 188.03422 206.04478 228.02673 223.07133 238.07100 244.00067
XANTHOSINE 5'-MONOPHOSPHATE C10H13N4O9P 364.04201 73323 1 - 363.03474 399.01142 345.02417 None 347.03873 365.04929 387.03124 382.07584 397.07551 403.00517
XANTHOSINE C10H12N4O6 284.07568 64959 2 - 283.06841 319.04509 265.05784 None 267.07240 285.08296 307.06490 302.10951 317.10918 323.03884
XANTHINE C5H4N4O2 152.03343 1188 2 - 151.02615 187.00283 133.01558 None 135.03014 153.04070 175.02265 170.06725 185.06692 190.99658
UROCANATE C6H6N2O2 138.04293 736715 2 - 137.03565 173.01233 119.02509 None 121.03964 139.05020 161.03215 156.07675 171.07642 177.00609
URIDINE-5-MONOPHOSPHATE C9H13N2O9P 324.03587 6030 7 - 323.02859 359.00527 305.01803 None 307.03258 325.04314 347.02509 342.06969 357.06936 362.99902
URIDINE 5'-TRIPHOSPHATE C9H15N2O15P3 483.96853 337 2 - 482.96125 518.93793 464.95069 None 466.96524 484.97581 506.95775 502.00235 517.00202 522.93169
URIDINE 5'-TRIPHOSPHATE C9H15N2O15P3 483.96853 6133 3 - 482.96125 518.93793 464.95069 None 466.96524 484.97581 506.95775 502.00235 517.00202 522.93169
URIDINE 5'-DIPHOSPHOGLUCURONIC ACID C15H22N2O18P2 580.03429 17473 2 - 579.02701 615.00369 561.01644 None 563.03100 581.04156 603.02351 598.06811 613.06778 618.99744
URIDINE 5'-DIPHOSPHOGLUCOSE C15H24N2O17P2 566.05502 8629 4 - 565.04774 601.02442 547.03718 None 549.05173 567.06230 589.04424 584.08885 599.08851 605.01818
URIDINE 5'-DIPHOSPHOGALACTOSE C15H24N2O17P2 566.05502 23724458 1 - 565.04774 601.02442 547.03718 None 549.05173 567.06230 589.04424 584.08885 599.08851 605.01818
URIDINE 5'-DIPHOSPHO-N-ACETYLGLUCOSAMINE C17H27N3O17P2 607.08157 445675 1 - 606.07429 642.05097 588.06373 None 590.07828 608.08885 630.07079 625.11540 640.11506 646.04473
URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINE C17H27N3O17P2 607.08157 23724461 1 - 606.07429 642.05097 588.06373 None 590.07828 608.08885 630.07079 625.11540 640.11506 646.04473
URIDINE 5'-DIPHOSPHATE C9H14N2O12P2 404.00220 6031 5 - 402.99492 438.97160 384.98436 None 386.99891 405.00947 426.99142 422.03602 437.03569 442.96536
URIDINE C9H12N2O6 244.06954 6029 1 - 243.06226 279.03894 225.05169 None 227.06625 245.07681 267.05876 262.10336 277.10303 283.03269
URATE C5H4N4O3 168.02834 1175 1 - 167.02106 202.99774 149.01050 None 151.02505 169.03562 191.01756 186.06217 201.06183 206.99150
URACIL C4H4N2O2 112.02728 1174 1 - 111.02000 146.99668 93.00944 None 95.02399 113.03455 135.01650 130.06110 145.06077 150.99044
Undecanoic acid C11H22O2 186.16198 8180 1 - 185.15470 221.13138 167.14414 None 169.15869 187.16926 209.15120 204.19581 219.19547 225.12514
TYRAMINE C8H11NO 137.08406 5610 3 - 136.07679 172.05347 118.06622 None 120.08078 138.09134 160.07328 155.11789 170.11756 176.04722
TRYPTAMINE C10H12N2 160.10005 1150 2 - 159.09277 195.06945 -1.00000 None -1.00000 161.10732 183.08927 178.13387 193.13354 199.06321
Tripalmitin C51H98O6 806.73634 11147 7 - 805.72906 841.70574 787.71850 None 789.73305 807.74362 829.72556 824.77017 839.76983 845.69950
Tridecanoic acid C13H26O2 214.19328 12530 1 - 213.18600 249.16268 195.17544 None 197.18999 215.20056 237.18250 232.22711 247.22677 253.15644
TRICOSANOIC ACID C23H46O2 354.34978 17085 1 - 353.34250 389.31918 335.33194 None 337.34649 355.35706 377.33900 372.38361 387.38327 393.31294
Tricaprylin (C8:0) C27H50O6 470.36074 10850 18 - 469.35346 505.33014 451.34290 None 453.35745 471.36802 493.34996 488.39456 503.39423 509.32390
435 molecule(s) with at least one fragmentation spectrum