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 - 151.06119703 187.03787476 133.05063235 135.06518525 153.07574994 175.05769418 170.10229903 185.10196468 191.03163139
XANTHURENIC ACID C10H7NO4 205.0375077 5699 3 - 204.03023125 240.00690898 186.01966657 188.03421947 206.04478416 228.0267284 223.07133325 238.0709989 244.00066561
XANTHOSINE 5'-MONOPHOSPHATE C10H13N4O9P 364.042015 73323 1 - 363.03473854 399.01141628 345.02417386 347.03872676 365.04929145 387.0312357 382.07584054 397.0755062 403.00517291
XANTHOSINE C10H12N4O6 284.0756841 64959 2 - 283.06840765 319.04508538 265.05784297 267.07239587 285.08296056 307.0649048 302.10950965 317.1091753 323.03884201
XANTHINE C5H4N4O2 152.03342537 1188 2 - 151.02614892 187.00282665 133.01558423 135.03013714 153.04070182 175.02264607 170.06725092 185.06691657 190.99658328
VITAMIN D2 C28H44O 396.33921603 5280793 0 - 395.33193958 431.30861731 377.32137489 379.3359278 397.34649248 419.32843673 414.37304158 429.37270723 435.30237394
VITAMIN B12 C63H88CoN14O14P 1354.5673995 5311498 0 - 1353.56012304 1389.53680078 1335.54955836 1337.56411126 1355.57467595 1377.5566202 1372.60122504 1387.6008907 1393.53055741
UROCANATE C6H6N2O2 138.04292743 736715 2 - 137.03565098 173.01232871 119.0250863 121.0396392 139.05020388 161.03214813 156.07675298 171.07641863 177.00608534
URIDINE-5-MONOPHOSPHATE C9H13N2O9P 324.035867 6030 10 - 323.02859054 359.00526828 305.01802586 307.03257876 325.04314345 347.0250877 342.06969254 357.0693582 362.99902491
URIDINE 5'-TRIPHOSPHATE C9H15N2O15P3 483.96852878 337 2 - 482.96125233 518.93793006 464.95068764 466.96524055 484.97580523 506.95774948 502.00235433 517.00201998 522.93168669
URIDINE 5'-TRIPHOSPHATE C9H15N2O15P3 483.96852878 6133 3 - 482.96125233 518.93793006 464.95068764 466.96524055 484.97580523 506.95774948 502.00235433 517.00201998 522.93168669
URIDINE 5'-DIPHOSPHOGLUCURONIC ACID C15H22N2O18P2 580.03428586 17473 2 - 579.02700941 615.00368714 561.01644473 563.03099763 581.04156232 603.02350656 598.06811141 613.06777706 618.99744377
URIDINE 5'-DIPHOSPHOGLUCOSE C15H24N2O17P2 566.05502131 8629 4 - 565.04774486 601.02442259 547.03718017 549.05173308 567.06229776 589.04424201 584.08884686 599.08851251 605.01817922
URIDINE 5'-DIPHOSPHOGALACTOSE C15H24N2O17P2 566.05502131 23724458 1 - 565.04774486 601.02442259 547.03718017 549.05173308 567.06229776 589.04424201 584.08884686 599.08851251 605.01817922
URIDINE 5'-DIPHOSPHO-N-ACETYLGLUCOSAMINE C17H27N3O17P2 607.0815704 445675 1 - 606.07429395 642.05097168 588.06372927 590.07828217 608.08884686 630.0707911 625.11539595 640.1150616 646.04472831
URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINE C17H27N3O17P2 607.0815704 23724461 1 - 606.07429395 642.05097168 588.06372927 590.07828217 608.08884686 630.0707911 625.11539595 640.1150616 646.04472831
URIDINE 5'-DIPHOSPHATE C9H14N2O12P2 404.00219789 6031 8 - 402.99492144 438.97159917 384.98435675 386.99890966 405.00947434 426.99141859 422.03602344 437.03568909 442.9653558
URIDINE C9H12N2O6 244.0695361 6029 4 - 243.06225965 279.03893738 225.05169497 227.06624787 245.07681256 267.0587568 262.10336165 277.1030273 283.03269401
URATE C5H4N4O3 168.02833999 1175 1 - 167.02106354 202.99774127 149.01049885 151.02505176 169.03561644 191.01756069 186.06216554 201.06183119 206.9914979
URACIL C4H4N2O2 112.02727737 1174 1 - 111.02000092 146.99667865 93.0094362299 95.0239891401 113.03455382 135.01649807 130.06110292 145.06076857 150.99043528
Undecanoic acid C11H22O2 186.16197994 8180 1 - 185.15470349 221.13138122 167.14413881 169.15869171 187.1692564 209.15120064 204.19580549 219.19547114 225.12513785
TYRAMINE C8H11NO 137.08406397 5610 3 - 136.07678752 172.05346525 118.06622284 120.08077574 138.09134042 160.07328467 155.11788952 170.11755517 176.04722188
TRYPTAMINE C10H12N2 160.10004838 1150 2 - 159.09277193 195.06944966 -1.0 -1.0 161.10732484 183.08926908 178.13387393 193.13353958 199.06320629
Tripalmitin C51H98O6 806.73634086 11147 7 - 805.7290644 841.70574214 787.71849972 789.73305262 807.74361731 829.72556156 824.7701664 839.76983206 845.69949877
TRIMETHYLAMINE C3H9N 59.07349929 1146 0 - 58.0662228399 94.0429005699 -1.0 -1.0 60.0807757401 82.0627199901 77.1073248401 92.1069904901 98.0366572001
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  • 25 of 743 molecules
439 molecule(s) with at least one fragmentation spectrum