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]+
L-SORBOSE C6H12O6 180.06339 439192 8 - 179.05611 215.03279 161.04555 None 163.06010 181.07066 203.05261 198.09721 213.09688 219.02655
PALATINOSE C12H22O11 342.11621 439559 8 - 341.10894 377.08561 323.09837 None 325.11292 343.12349 365.10543 360.15004 375.14970 381.07937
Triacetin (C2:0) C9H14O6 218.07904 5541 8 - 217.07176 253.04844 199.06120 None 201.07575 219.08631 241.06826 236.11286 251.11253 257.04220
1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine C49H94NO8P 855.67171 71311796 7 - 854.66443 890.64111 836.65386 None 838.66842 856.67898 878.66093 873.70553 888.70520 894.63486
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE C10H12N5O6P 329.05252 6076 7 - 328.04524 364.02192 310.03468 None 312.04923 330.05980 352.04174 347.08635 362.08601 368.01568
D-TAGATOSE C6H12O6 180.06339 439312 7 - 179.05611 215.03279 161.04555 None 163.06010 181.07066 203.05261 198.09721 213.09688 219.02655
DOCOSAHEXAENOIC ACID C22H32O2 328.24023 445580 7 - 327.23295 363.20963 309.22239 None 311.23694 329.24751 351.22945 346.27406 361.27372 367.20339
Glyceryl trioleate C57H104O6 884.78329 5497163 7 - 883.77601 919.75269 865.76545 None 867.78000 885.79057 907.77251 902.81712 917.81678 923.74645
Guanosine C10H13N5O5 283.09167 6802 7 - 282.08439 318.06107 264.07383 None 266.08838 284.09894 306.08089 301.12549 316.12516 322.05483
L-GLUTAMIC ACID C5H9NO4 147.05316 33032 7 - 146.04588 182.02256 128.03532 None 130.04987 148.06043 170.04238 165.08698 180.08665 186.01632
L-LYSINE C6H14N2O2 146.10553 5962 7 - 145.09825 181.07493 127.08769 None 129.10224 147.11280 169.09475 164.13935 179.13902 185.06869
L-TYROSINE C9H11NO3 181.07389 6057 7 - 180.06662 216.04329 162.05605 None 164.07060 182.08117 204.06311 199.10772 214.10738 220.03705
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
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
4-Cholesten-3-one C27H44O 384.33922 91477 6 - 383.33194 419.30862 365.32137 None 367.33593 385.34649 407.32844 402.37304 417.37271 423.30237
ADENOSINE 5'-DIPHOSPHORIBOSE C15H23N5O14P2 559.07167 445794 6 - 558.06440 594.04108 540.05383 None 542.06839 560.07895 582.06090 577.10550 592.10517 598.03483
CITRATE C6H8O7 192.02700 311 6 Protocol/HILIC/01 191.01973 226.99640 173.00916 None 175.02371 193.03428 215.01622 210.06083 225.06049 230.99016
CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac] C70H134O17P2 1308.90963 9547186 6 - 1307.90235 1343.87903 1289.89179 None 1291.90634 1309.91690 1331.89885 1326.94345 1341.94312 1347.87278
Cytidine C9H13N3O5 243.08552 6175 6 - 242.07824 278.05492 224.06768 None 226.08223 244.09280 266.07474 261.11935 276.11901 282.04868
D-(+)-GALACTOSAMINE C6H13NO5 179.07937 24154 6 - 178.07210 214.04877 160.06153 None 162.07608 180.08665 202.06859 197.11320 212.11286 218.04253
D-GLUCOSE-6-PHOSPHATE C6H13O9P 260.02972 5958 6 - 259.02244 294.99912 241.01188 None 243.02643 261.03700 283.01894 278.06354 293.06321 298.99288
GLYCEROL 2-PHOSPHATE C3H9O6P 172.01368 2526 6 - 171.00640 206.98308 152.99583 None 155.01039 173.02095 195.00290 190.04750 205.04717 210.97683
L-PROLINE C5H9NO2 115.06333 145742 6 - 114.05605 150.03273 96.04549 None 98.06004 116.07060 138.05255 133.09715 148.09682 154.02649
L-TRYPTOPHAN C11H12N2O2 204.08988 6305 6 - 203.08260 239.05928 185.07204 None 187.08659 205.09715 227.07910 222.12370 237.12337 243.05304
L-TRYPTOPHANAMIDE C11H13N3O 203.10586 439356 6 - 202.09859 238.07526 184.08802 None 186.10257 204.11314 226.09508 221.13969 236.13935 242.06902
435 molecule(s) with at least one fragmentation spectrum