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]+
TRIGONELLINE C7H7NO2 137.04767846 5570 0 - 136.04040200990923 172.01707973990924 118.02983732990924 120.04439023009077 138.05495492009075 160.03689916009077 155.08150401009075 170.08116966009075 176.01083637009077
Tridecanoic acid C13H26O2 214.19328007 12530 1 - 213.18600361990923 249.16268134990923 195.17543893990924 197.18999184009076 215.20055652009077 237.18250077009077 232.22710562009075 247.22677127009075 253.15643798009077
TRICOSANOIC ACID C23H46O2 354.34978071 17085 1 - 353.3425042599093 389.3191819899093 335.33193957990926 337.3464924800907 355.35705716009073 377.33900141009076 372.38360626009074 387.38327191009074 393.31293862009073
Tricaprylin (C8:0) C27H50O6 470.36073932 10850 18 - 469.35346286990927 505.33014059990927 451.34289817990924 453.35745109009076 471.3680157700907 493.34996002009075 488.39456487009073 503.39423052009073 509.3238972300907
Tricaproin (C6:0) C21H38O6 386.26683894 12131 9 - 385.2595624799093 421.2362402199093 367.24899779990926 369.2635507000907 387.27411539009074 409.2560596400907 404.30066448009075 419.30033014009075 425.22999685009074
Tricaprin (C10:0) C33H62O6 554.4546397 69310 18 - 553.4473632499092 589.4240409799093 535.4367985699092 537.4513514700907 555.4619161600907 577.4438604000908 572.4884652500907 587.4881309000907 593.4177976100907
Tributyrin (C4:0) C15H26O6 302.17293855 6050 9 - 301.16566209990924 337.14233982990925 283.1550974199093 285.16965032009074 303.18021500009075 325.1621592500907 320.2067641000907 335.20642975009076 341.13609646009076
Triacetin (C2:0) C9H14O6 218.07903817 5541 8 - 217.07176171990923 253.04843944990924 199.06119702990924 201.07574994009076 219.08631462009077 241.06825887009077 236.11286372009076 251.11252937009075 257.0421960800907
TRANS-CYCLOHEXANE-1,2-DIOL C6H12O2 116.08372962 92886 0 - 115.07645316990923 151.05313089990923 97.06588848990924 99.08044139009077 117.09100608009076 139.07295032009077 134.11755517009075 149.11722082009075 155.04688753009077
TRANS-CINNAMATE C9H8O2 148.0524295 444539 0 - 147.04515303990922 183.02183077990924 129.03458835990924 131.04914126009078 149.05970595009077 171.04165020009077 166.08625504009078 181.08592070009075 187.01558741009077
TRANS-CINNAMALDEHYDE C9H8O 132.05751488 637511 0 - 131.05023841990925 167.02691615990923 113.03967373990923 115.05422664009076 133.06479133009077 155.04673558009077 150.09134042009077 165.09100608009078 171.02067279009077
TRANS-ACONITATE C6H6O6 174.01643791 444212 2 - 173.00916145990922 208.98583918990923 154.99859677990924 157.01314968009078 175.02371436009076 197.00565861009076 192.05026346009078 207.04992911009077 212.97959582009076
TRANS-4-HYDROXYPROLINE C5H9NO3 131.05824315 5810 3 - 130.05096669990922 166.02764442990923 112.04040200990923 114.05495492009076 132.06551960009077 154.04746385009076 149.09206870009078 164.09173435009077 170.02140106009077
THYROXINE C15H11I4NO4 776.68668783 5819 0 - 775.6794113799093 811.6560891099093 757.6688466999093 759.6833996000908 777.6939642800908 799.6759085300907 794.7205133800908 809.7201790300908 815.6498457400908
THYROTROPIN RELEASING HORMONE C16H22N6O4 362.17025318 638678 3 - 361.16297672990925 397.13965445990925 343.1524120499093 345.16696495009074 363.1775296400907 385.15947388009073 380.2040787300907 395.2037443800907 401.13341109009076
THYMINE C5H6N2O2 126.04292743 1135 0 - 125.03565097990924 161.01232870990924 107.02508629990923 109.03963920009076 127.05020388009076 149.03214813009077 144.07675298009076 159.07641863009076 165.00608534009078
THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE C16H26N2O16P2 564.07575675 443210 2 - 563.0684802999093 599.0451580299093 545.0579156199093 547.0724685200908 565.0830332000908 587.0649774500907 582.1095823000908 597.1092479500908 603.0389146600908
THYMIDINE 5'-MONOPHOSPHATE C10H15N2O8P 322.05660244 9700 3 - 321.0493259899093 357.0260037199093 303.03876129990925 305.0533142100907 323.06387889009073 345.04582314009076 340.09042799009075 355.09009364009074 361.01976035009073
THYMIDINE C10H14N2O5 242.09027155 5789 1 - 241.08299509990923 277.0596728299093 223.07243040990923 225.08698332009075 243.09754800009077 265.0794922500907 260.12409710009075 275.12376275009075 281.05342946009074
THIOUREA CH4N2S 76.0095193 2723790 0 - 75.00224284990924 110.97892057990923 -1.0 -1.0 77.01679575009076 98.99874000009076 94.04334485009076 109.04301050009076 114.97267721009077
THIOPURINE S-METHYLETHER C6H6N4S 166.03131736 5778 3 - 165.02404090990925 201.00071863990922 -1.0 -1.0 167.03859381009076 189.02053806009076 184.06514291009077 199.06480856009077 204.99447527009076
THIOACETATE C2H4OS 75.99828592 10484 0 - 74.99100946990923 110.96768719990924 56.98044477990924 58.994997690090756 77.00556237009076 98.98750662009077 94.03211147009077 109.03177712009077 114.96144383009076
THIAMINE PYROPHOSPHATE C12H17N4OS 265.11230733 1132 0 - 264.10503087990924 300.08170860990924 246.09446619990925 248.10901910009076 266.11958379009076 288.1015280300907 283.14613288009076 298.14579853009076 304.07546524009075
THIAMINE MONOPHOSPHATE C12H17N4O4PS 344.07081319 1131 1 - 343.06353673990924 379.04021446990924 325.0529720599093 327.06752496009074 345.07808965009076 367.0600338900907 362.10463874009076 377.10430439009076 383.03397110009075
THIAMINE C12H17N4OS 265.11230733 1130 1 - 264.10503087990924 300.08170860990924 246.09446619990925 248.10901910009076 266.11958379009076 288.1015280300907 283.14613288009076 298.14579853009076 304.07546524009075
439 molecule(s) with at least one fragmentation spectrum