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]+
INDOLE-3-ACETAMIDE C10H10N2O 174.07931294 397 4 - 173.07203649 209.04871422 155.0614718 157.07602471 175.08658939 197.06853364 192.11313849 207.11280414 213.04247085
FERULATE C10H10O4 194.0579088 445858 1 - 193.05063235 229.02731008 175.04006766 177.05462057 195.06518525 217.0471295 212.09173435 227.0914 233.02106671
INDOLE-3-ETHANOL C10H11NO 161.08406397 10685 1 - 160.07678752 196.05346525 142.06622284 144.08077574 162.09134042 184.07328467 179.11788952 194.11755517 200.04722188
TRYPTAMINE C10H12N2 160.10004838 1150 2 - 159.09277193 195.06944966 -1.0 -1.0 161.10732484 183.08926908 178.13387393 193.13353958 199.06320629
SEROTONIN C10H12N2O 176.094963 5202 2 - 175.08768655 211.06436428 157.07712187 159.09167477 177.10223946 199.0841837 194.12878855 209.1284542 215.05812091
KYNURENINE C10H12N2O3 208.08479224 846 3 - 207.07751579 243.05419352 189.06695111 191.08150401 209.0920687 231.07401294 226.11861779 241.11828344 247.04795015
L-KYNURENINE C10H12N2O3 208.08479224 161166 3 - 207.07751579 243.05419352 189.06695111 191.08150401 209.0920687 231.07401294 226.11861779 241.11828344 247.04795015
3-HYDROXYKYNURENINE C10H12N2O4 224.07970686 89 3 - 223.07243041 259.04910814 205.06186573 207.07641863 225.08698332 247.06892756 242.11353241 257.11319806 263.04286477
INOSINE C10H12N4O5 268.08076948 6021 1 - 267.07349303 303.05017076 249.06292835 251.07748125 269.08804594 291.06999018 286.11459503 301.11426068 307.04392739
XANTHOSINE C10H12N4O6 284.0756841 64959 2 - 283.06840765 319.04508538 265.05784297 267.07239587 285.08296056 307.0649048 302.10950965 317.1091753 323.03884201
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
GUANOSINE 3',5'-CYCLIC MONOPHOSPHATE C10H12N5O7P 345.04743472 24316 2 - 344.04015827 380.016836 326.02959359 328.04414649 346.05471118 368.03665542 363.08126027 378.08092592 384.01059263
Guanosine monophosphate C10H12N5O8P 361.04234934 6804 0 - 360.03507289 396.01175062 342.02450821 344.03906111 362.0496258 384.03157004 379.07617489 394.07584054 400.00550725
INOSINE 5'-PHOSPHATE C10H13N4O8P 348.04710038 8582 5 - 347.03982392 383.01650166 329.02925924 331.04381214 349.05437683 371.03632108 366.08092592 381.08059158 387.01025829
XANTHOSINE 5'-MONOPHOSPHATE C10H13N4O9P 364.042015 73323 1 - 363.03473854 399.01141628 345.02417386 347.03872676 365.04929145 387.0312357 382.07584054 397.0755062 403.00517291
N6-(DELTA2-ISOPENTENYL)-ADENINE C10H13N5 203.11709542 92180 4 - 202.10981896 238.0864967 -1.0 -1.0 204.12437187 226.10631612 221.15092096 236.15058662 242.08025333
5'-DEOXYADENOSINE C10H13N5O3 251.10183928 439182 3 - 250.09456282 286.07124056 232.08399814 234.09855104 252.10911573 274.09105998 269.13566482 284.13533048 290.06499719
Adenosine C10H13N5O4 267.0967539 60961 2 - 266.08947744 302.06615518 248.07891276 250.09346566 268.10403035 290.0859746 285.13057944 300.1302451 306.05991181
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE C10H13N5O4 267.0967539 101812 0 - 266.08947744 302.06615518 248.07891276 250.09346566 268.10403035 290.0859746 285.13057944 300.1302451 306.05991181
Guanosine C10H13N5O5 283.09166852 6802 9 - 282.08439206 318.0610698 264.07382738 266.08838028 284.09894497 306.08088922 301.12549406 316.12515972 322.05482643
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE C10H13NO2 179.09462866 91588 1 - 178.0873522 214.06402994 160.07678752 162.09134042 180.10190511 202.08384936 197.1284542 212.12811986 218.05778657
(S)-NICOTINE C10H14N2 162.11569845 89594 0 - 161.108422 197.08509973 -1.0 -1.0 163.1229749 185.10491915 180.149524 195.14918965 201.07885636
THYMIDINE C10H14N2O5 242.09027155 5789 1 - 241.0829951 277.05967283 223.07243041 225.08698332 243.097548 265.07949225 260.1240971 275.12376275 281.05342946
INOSINE 5'-DIPHOSPHATE C10H14N4O11P2 428.01343127 6831 1 - 427.00615482 462.98283255 408.99559013 411.01014304 429.02070772 451.00265197 446.04725682 461.04692247 466.97658918
DAMP C10H14N5O6P 331.06817017 12599 2 - 330.06089372 366.03757145 312.05032903 314.06488194 332.07544662 354.05739087 349.10199572 364.10166137 370.03132808
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  • 25 of 743 molecules
439 molecule(s) with at least one fragmentation spectrum