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]+
D-RIBOSE C5H10O5 150.05282342 5779 8 - 149.04554696990922 185.02222469990923 131.03498227990923 133.04953519009075 151.06009987009077 173.04204412009076 168.08664897009078 183.08631462009077 189.01598133009077
Glycine C2H5NO2 75.0320284 5257127 8 - 74.02475194990923 110.00142967990924 56.01418725990924 58.02874017009076 76.03930485009076 98.02124910009077 93.06585395009077 108.06551960009077 113.99518631009076
Guanosine 5_-diphosphate C10H15N5O11P2 443.0243303 8977 8 - 442.01705384990925 477.99373157990925 424.0064891599093 426.02104207009074 444.03160675009076 466.01355100009073 461.0581558500907 476.0578215000907 481.98748821009076
Isoleucine C6H13NO2 131.09462866 6306 8 - 130.08735219990925 166.06402993990923 112.07678751990923 114.09134042009076 132.10190511009077 154.08384936009077 149.12845420009077 164.12811986009078 170.05778657009077
L-ASPARAGINE C4H8N2O3 132.05349212 6267 8 - 131.04621565990922 167.02289339990924 113.03565097990924 115.05020388009076 133.06076857009077 155.04271282009077 150.08731766009078 165.08698332009075 171.01665003009077
L-SORBOSE C6H12O6 180.0633881 439192 8 - 179.05611164990924 215.03278937990925 161.04554696990922 163.06009987009077 181.07066456009076 203.05260880009075 198.09721365009077 213.09687930009076 219.02654601009075
PALATINOSE C12H22O11 342.11621152 439559 8 - 341.10893506990925 377.08561279990926 323.0983703899093 325.11292329009075 343.1234879800907 365.10543222009073 360.1500370700907 375.1497027200907 381.0793694300907
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
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
1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine C49H94NO8P 855.67170597 71311796 7 - 854.6644295199093 890.6411072499093 836.6538648299093 838.6684177400907 856.6789824200907 878.6609266700907 873.7055315200907 888.7051971700907 894.6348638800907
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE C10H12N5O6P 329.0525201 6076 7 - 328.04524364990925 364.02192137990926 310.03467896990924 312.04923187009075 330.0597965600907 352.04174080009074 347.0863456500907 362.0860113000907 368.0156780100907
D-TAGATOSE C6H12O6 180.0633881 439312 7 - 179.05611164990924 215.03278937990925 161.04554696990922 163.06009987009077 181.07066456009076 203.05260880009075 198.09721365009077 213.09687930009076 219.02654601009075
DOCOSAHEXAENOIC ACID C22H32O2 328.24023026 445580 7 - 327.23295380990925 363.20963153990925 309.2223891299093 311.23694203009074 329.2475067200907 351.22945096009073 346.2740558100907 361.2737214600907 367.20338817009076
Glyceryl trioleate C57H104O6 884.78329105 5497163 7 - 883.7760145999092 919.7526923299092 865.7654499099093 867.7800028200908 885.7905675000908 907.7725117500908 902.8171166000907 917.8167822500907 923.7464489600908
L-GLUTAMIC ACID C5H9NO4 147.05315777 33032 7 - 146.04588131990923 182.02255904990923 128.03531662990923 130.04986954009075 148.06043422009077 170.04237847009077 165.08698332009075 180.08664897009078 186.01631568009077
L-LYSINE C6H14N2O2 146.10552769 5962 7 - 145.09825123990925 181.07492896990922 127.08768654990924 129.10223946009077 147.11280414009076 169.09474839009076 164.13935324009077 179.13901889009077 185.06868560009076
L-TYROSINE C9H11NO3 181.07389321 6057 7 - 180.06661675990924 216.04329448990924 162.05605207990922 164.07060498009076 182.08116966009075 204.06311391009078 199.10771876009076 214.10738441009076 220.03705112009075
Tripalmitin C51H98O6 806.73634086 11147 7 - 805.7290643999092 841.7057421399093 787.7184997199092 789.7330526200907 807.7436173100907 829.7255615600907 824.7701664000907 839.7698320600907 845.6994987700907
4-Cholesten-3-one C27H44O 384.33921603 91477 6 - 383.33193957990926 419.30861730990927 365.32137488990924 367.33592780009076 385.3464924800907 407.32843673009074 402.3730415800907 417.3727072300907 423.3023739400907
ADENOSINE 5'-DIPHOSPHORIBOSE C15H23N5O14P2 559.07167442 445794 6 - 558.0643979599092 594.0410756999092 540.0538332799092 542.0683861800908 560.0789508700907 582.0608951200908 577.1054999600907 592.1051656200907 598.0348323300907
CITRATE C6H8O7 192.0270026 311 6 Protocol/HILIC/01 191.01972613990924 226.99640387990922 173.00916145990922 175.02371436009076 193.03427905009076 215.01622330009076 210.06082814009076 225.06049380009077 230.99016051009076
CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac] C70H134O17P2 1308.90962683 6 - 1307.9023503799092 1343.8790281099093 1289.8917856899093 1291.9063386000907 1309.9169032800908 1331.8988475300907 1326.9434523800908 1341.9431180300908 1347.8727847400908
D-(+)-GALACTOSAMINE C6H13NO5 179.07937252 24154 6 - 178.07209605990923 214.04877379990924 160.06153137990924 162.07608428009075 180.08664897009078 202.06859322009078 197.11319806009075 212.11286372009076 218.04253043009078
D-(-)-3-PHOSPHOGLYCERIC ACID C3H7O7P 185.99293956 724 6 - 184.98566310990924 220.96234083990925 166.97509842990922 168.98965133009077 187.00021602009076 208.98216026009075 204.02676511009076 219.02643076009076 224.95609747009075
D-GLUCOSE-6-PHOSPHATE C6H13O9P 260.029719 5958 6 - 259.02244253990926 294.9991202799093 241.01187785990925 243.02643076009076 261.0369954500907 283.01893970009075 278.06354454009073 293.06321020009074 298.99287691009073
439 molecule(s) with at least one fragmentation spectrum