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 - 149.04554697 185.0222247 131.03498228 133.04953519 151.06009987 173.04204412 168.08664897 183.08631462 189.01598133
Glycine C2H5NO2 75.0320284 5257127 8 - 74.0247519499 110.00142968 56.0141872599 58.0287401701 76.0393048501 98.0212491001 93.0658539501 108.0655196 113.99518631
Guanosine 5_-diphosphate C10H15N5O11P2 443.0243303 8977 8 - 442.01705385 477.99373158 424.00648916 426.02104207 444.03160675 466.013551 461.05815585 476.0578215 481.98748821
Isoleucine C6H13NO2 131.09462866 6306 8 - 130.0873522 166.06402994 112.07678752 114.09134042 132.10190511 154.08384936 149.1284542 164.12811986 170.05778657
L-ASPARAGINE C4H8N2O3 132.05349212 6267 8 - 131.04621566 167.0228934 113.03565098 115.05020388 133.06076857 155.04271282 150.08731766 165.08698332 171.01665003
L-SORBOSE C6H12O6 180.0633881 439192 8 - 179.05611165 215.03278938 161.04554697 163.06009987 181.07066456 203.0526088 198.09721365 213.0968793 219.02654601
PALATINOSE C12H22O11 342.11621152 439559 8 - 341.10893507 377.0856128 323.09837039 325.11292329 343.12348798 365.10543222 360.15003707 375.14970272 381.07936943
Triacetin (C2:0) C9H14O6 218.07903817 5541 8 - 217.07176172 253.04843945 199.06119703 201.07574994 219.08631462 241.06825887 236.11286372 251.11252937 257.04219608
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
1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine C49H94NO8P 855.67170597 71311796 7 - 854.66442952 890.64110725 836.65386483 838.66841774 856.67898242 878.66092667 873.70553152 888.70519717 894.63486388
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE C10H12N5O6P 329.0525201 6076 7 - 328.04524365 364.02192138 310.03467897 312.04923187 330.05979656 352.0417408 347.08634565 362.0860113 368.01567801
D-TAGATOSE C6H12O6 180.0633881 439312 7 - 179.05611165 215.03278938 161.04554697 163.06009987 181.07066456 203.0526088 198.09721365 213.0968793 219.02654601
DOCOSAHEXAENOIC ACID C22H32O2 328.24023026 445580 7 - 327.23295381 363.20963154 309.22238913 311.23694203 329.24750672 351.22945096 346.27405581 361.27372146 367.20338817
Glyceryl trioleate C57H104O6 884.78329105 5497163 7 - 883.7760146 919.75269233 865.76544991 867.78000282 885.7905675 907.77251175 902.8171166 917.81678225 923.74644896
L-GLUTAMIC ACID C5H9NO4 147.05315777 33032 7 - 146.04588132 182.02255905 128.03531663 130.04986954 148.06043422 170.04237847 165.08698332 180.08664897 186.01631568
L-LYSINE C6H14N2O2 146.10552769 5962 7 - 145.09825124 181.07492897 127.08768655 129.10223946 147.11280414 169.09474839 164.13935324 179.13901889 185.0686856
L-TYROSINE C9H11NO3 181.07389321 6057 7 - 180.06661676 216.04329449 162.05605208 164.07060498 182.08116966 204.06311391 199.10771876 214.10738441 220.03705112
Tripalmitin C51H98O6 806.73634086 11147 7 - 805.7290644 841.70574214 787.71849972 789.73305262 807.74361731 829.72556156 824.7701664 839.76983206 845.69949877
4-Cholesten-3-one C27H44O 384.33921603 91477 6 - 383.33193958 419.30861731 365.32137489 367.3359278 385.34649248 407.32843673 402.37304158 417.37270723 423.30237394
ADENOSINE 5'-DIPHOSPHORIBOSE C15H23N5O14P2 559.07167442 445794 6 - 558.06439796 594.0410757 540.05383328 542.06838618 560.07895087 582.06089512 577.10549996 592.10516562 598.03483233
CITRATE C6H8O7 192.0270026 311 6 Protocol/HILIC/01 191.01972614 226.99640388 173.00916146 175.02371436 193.03427905 215.0162233 210.06082814 225.0604938 230.99016051
CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac] C70H134O17P2 1308.90962683 6 - 1307.90235038 1343.87902811 1289.89178569 1291.9063386 1309.91690328 1331.89884753 1326.94345238 1341.94311803 1347.87278474
D-(+)-GALACTOSAMINE C6H13NO5 179.07937252 24154 6 - 178.07209606 214.0487738 160.06153138 162.07608428 180.08664897 202.06859322 197.11319806 212.11286372 218.04253043
D-(-)-3-PHOSPHOGLYCERIC ACID C3H7O7P 185.99293956 724 6 - 184.98566311 220.96234084 166.97509843 168.98965133 187.00021602 208.98216026 204.02676511 219.02643076 224.95609747
D-GLUCOSE-6-PHOSPHATE C6H13O9P 260.029719 5958 6 - 259.02244254 294.99912028 241.01187786 243.02643076 261.03699545 283.0189397 278.06354454 293.0632102 298.99287691
439 molecule(s) with at least one fragmentation spectrum