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]+
(2-AMINOETHYL)PHOSPHONATE C2H8NO3P 125.02418 339 1 - 124.01690 159.99358 106.00634 108.02089 126.03146 148.01340 143.05801 158.05767 163.98734
(R,R)-TARTARIC ACID C4H6O6 150.01644 444305 1 - 149.00916 184.98584 130.99860 133.01315 151.02371 173.00566 168.05026 183.04993 188.97960
(S)-LACTATE C3H6O3 90.03169 107689 1 - 89.02442 125.00110 71.01385 73.02841 91.03897 113.02091 108.06552 123.06519 128.99485
(S)-MALATE C4H6O5 134.02152 222656 2 - 133.01425 168.99092 115.00368 117.01824 135.02880 157.01074 152.05535 167.05501 172.98468
(S,S)-TARTARIC ACID C4H6O6 150.01644 439655 1 - 149.00916 184.98584 130.99860 133.01315 151.02371 173.00566 168.05026 183.04993 188.97960
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE C28H56NO8P 565.37435 16219892 4 - 564.36708 600.34376 546.35651 548.37107 566.38163 588.36358 583.40818 598.40785 604.33751
1,2-Dierucoyl-sn-glycero-3-phosphocholine C52H100NO8P 897.71866 24779126 3 - 896.71138 932.68806 878.70082 880.71537 898.72593 920.70788 915.75248 930.75215 936.68181
1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine C49H94NO8P 855.67171 71311796 7 - 854.66443 890.64111 836.65386 838.66842 856.67898 878.66093 873.70553 888.70520 894.63486
1-AMINOCYCLOPROPANE-1-CARBOXYLATE C4H7NO2 101.04768 535 2 - 100.04040 136.01708 82.02984 84.04439 102.05495 124.03690 119.08150 134.08117 140.01084
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE C10H13NO2 179.09463 91588 1 - 178.08735 214.06403 160.07679 162.09134 180.10191 202.08385 197.12845 212.12812 218.05779
1-METHYLADENOSINE C11H15N5O4 281.11240 27476 2 - 280.10513 316.08181 262.09456 264.10912 282.11968 304.10162 299.14623 314.14590 320.07556
10-HYDROXYDECANOATE C10H20O3 188.14124 74300 2 - 187.13397 223.11065 169.12340 171.13796 189.14852 211.13047 206.17507 221.17474 227.10440
18:0 Lyso PC C26H54NO7P 523.36379 24779491 8 - 522.35651 558.33319 504.34595 506.36050 524.37107 546.35301 541.39762 556.39728 562.32695
2',4'-DIHYDROXYACETOPHENONE C8H8O3 152.04734 6990 2 - 151.04007 187.01675 133.02950 135.04406 153.05462 175.03656 170.08117 185.08084 191.01050
2'-DEOXYADENOSINE 5'-DIPHOSPHATE C10H15N5O9P2 411.03450 188966 2 - 410.02722 446.00390 392.01666 394.03121 412.04178 434.02372 429.06833 444.06799 449.99766
2'-DEOXYCYTIDINE 5'-DIPHOSPHATE C9H15N3O10P2 387.02327 150855 1 - 386.01599 421.99267 368.00543 370.01998 388.03054 410.01249 405.05709 420.05676 425.98643
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE C9H14N3O7P 307.05694 13945 1 - 306.04966 342.02634 288.03910 290.05365 308.06421 330.04616 325.09076 340.09043 346.02009
2'-DEOXYGUANOSINE C10H15N5O5 285.10732 187790 4 - 284.10004 320.07672 266.08948 268.10403 286.11460 308.09654 303.14114 318.14081 324.07048
2'-DEOXYGUANOSINE 5'-DIPHOSPHATE C10H15N5O10P2 427.02942 439220 1 - 426.02214 461.99882 408.01157 410.02613 428.03669 450.01864 445.06324 460.06291 465.99257
2'-DEOXYURIDINE 5'-MONO-PHOS-PHATE C9H13N2O8P 308.04095 65063 3 - 307.03368 343.01035 289.02311 291.03766 309.04823 331.03017 326.07478 341.07444 347.00411
2'-DEOXYURIDINE 5'-TRIPHOSPHATE C9H15N2O14P3 467.97361 65070 5 - 466.96634 502.94302 448.95577 450.97033 468.98089 490.96283 486.00744 501.00711 506.93677
2,3-DIHYDROXYBENZOATE C7H6O4 154.02661 19 1 - 153.01933 188.99601 135.00877 137.02332 155.03389 177.01583 172.06043 187.06010 192.98977
2,4-DIHYDROXYPTERIDINE C6H4N4O2 164.03343 10250 2 - 163.02615 199.00283 145.01558 147.03014 165.04070 187.02265 182.06725 197.06692 202.99658
2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACID C5H4N2O4 156.01711 90301 1 - 155.00983 190.98651 136.99927 139.01382 157.02438 179.00633 174.05093 189.05060 194.98026
2,5-Dihydroxybenzoic acid C7H6O4 154.02661 3469 1 - 153.01933 188.99601 135.00877 137.02332 155.03389 177.01583 172.06043 187.06010 192.98977
435 molecule(s) with at least one fragmentation spectrum