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 - 173.07203648990924 209.04871421990924 155.06147179990924 157.07602471009076 175.08658939009075 197.06853364009078 192.11313849009076 207.11280414009076 213.04247085009075
FERULATE C10H10O4 194.0579088 445858 1 - 193.05063234990922 229.02731007990923 175.04006765990923 177.05462057009078 195.06518525009076 217.04712950009076 212.09173435009077 227.09140000009077 233.02106671009076
INDOLE-3-ETHANOL C10H11NO 161.08406397 10685 1 - 160.07678751990923 196.05346524990924 142.06622283990924 144.08077574009076 162.09134042009077 184.07328467009077 179.11788952009076 194.11755517009075 200.04722188009077
TRYPTAMINE C10H12N2 160.10004838 1150 2 - 159.09277192990925 195.06944965990922 -1.0 -1.0 161.10732484009077 183.08926908009076 178.13387393009077 193.13353958009077 199.06320629009076
SEROTONIN C10H12N2O 176.094963 5202 2 - 175.08768654990922 211.06436427990923 157.07712186990923 159.09167477009078 177.10223946009077 199.08418370009076 194.12878855009077 209.12845420009077 215.05812091009076
KYNURENINE C10H12N2O3 208.08479224 846 3 - 207.07751578990923 243.05419351990923 189.06695110990924 191.08150401009075 209.09206870009078 231.07401294009077 226.11861779009075 241.11828344009078 247.04795015009077
L-KYNURENINE C10H12N2O3 208.08479224 161166 3 - 207.07751578990923 243.05419351990923 189.06695110990924 191.08150401009075 209.09206870009078 231.07401294009077 226.11861779009075 241.11828344009078 247.04795015009077
3-HYDROXYKYNURENINE C10H12N2O4 224.07970686 89 3 - 223.07243040990923 259.04910813990926 205.06186572990924 207.07641863009076 225.08698332009075 247.06892756009077 242.11353241009076 257.1131980600907 263.0428647700907
INOSINE C10H12N4O5 268.08076948 6021 1 - 267.0734930299093 303.05017075990924 249.06292834990924 251.07748125009076 269.08804594009075 291.0699901800907 286.11459503009075 301.11426068009075 307.04392739009074
XANTHOSINE C10H12N4O6 284.0756841 64959 2 - 283.06840764990926 319.04508537990927 265.05784296990925 267.07239587009076 285.0829605600907 307.06490480009074 302.10950965009073 317.1091753000907 323.0388420100907
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
GUANOSINE 3',5'-CYCLIC MONOPHOSPHATE C10H12N5O7P 345.04743472 24316 2 - 344.0401582699093 380.0168359999093 326.02959358990927 328.0441464900907 346.05471118009075 368.0366554200907 363.08126027009075 378.08092592009075 384.01059263009074
Guanosine monophosphate C10H12N5O8P 361.04234934 6804 0 - 360.03507288990926 396.01175061990926 342.02450820990924 344.03906111009076 362.0496258000907 384.03157004009074 379.0761748900907 394.0758405400907 400.0055072500907
INOSINE 5'-PHOSPHATE C10H13N4O8P 348.04710038 8582 5 - 347.0398239199093 383.01650165990924 329.02925923990927 331.0438121400907 349.05437683009075 371.0363210800907 366.08092592009075 381.08059158009075 387.01025829009075
XANTHOSINE 5'-MONOPHOSPHATE C10H13N4O9P 364.042015 73323 1 - 363.03473853990926 399.01141627990927 345.02417385990924 347.03872676009075 365.0492914500907 387.03123570009075 382.0758405400907 397.07550620009073 403.0051729100907
N6-(DELTA2-ISOPENTENYL)-ADENINE C10H13N5 203.11709542 92180 4 - 202.10981895990923 238.08649669990925 -1.0 -1.0 204.12437187009076 226.10631612009075 221.15092096009076 236.15058662009076 242.08025333009076
5'-DEOXYADENOSINE C10H13N5O3 251.10183928 439182 3 - 250.09456281990924 286.07124055990926 232.08399813990923 234.09855104009077 252.10911573009076 274.09105998009073 269.1356648200907 284.1353304800907 290.06499719009076
Adenosine C10H13N5O4 267.0967539 60961 2 - 266.0894774399093 302.0661551799093 248.07891275990923 250.09346566009077 268.10403035009074 290.0859746000907 285.13057944009074 300.13024510009075 306.05991181009074
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE C10H13N5O4 267.0967539 101812 0 - 266.0894774399093 302.0661551799093 248.07891275990923 250.09346566009077 268.10403035009074 290.0859746000907 285.13057944009074 300.13024510009075 306.05991181009074
Guanosine C10H13N5O5 283.09166852 6802 9 - 282.08439205990925 318.06106979990926 264.0738273799093 266.08838028009075 284.0989449700907 306.08088922009074 301.1254940600907 316.1251597200907 322.0548264300907
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE C10H13NO2 179.09462866 91588 1 - 178.08735219990925 214.06402993990923 160.07678751990923 162.09134042009077 180.10190511009077 202.08384936009077 197.12845420009077 212.12811986009078 218.05778657009077
(S)-NICOTINE C10H14N2 162.11569845 89594 0 - 161.10842199990924 197.08509972990925 -1.0 -1.0 163.12297490009075 185.10491915009075 180.14952400009076 195.14918965009076 201.07885636009075
THYMIDINE C10H14N2O5 242.09027155 5789 1 - 241.08299509990923 277.0596728299093 223.07243040990923 225.08698332009075 243.09754800009077 265.0794922500907 260.12409710009075 275.12376275009075 281.05342946009074
INOSINE 5'-DIPHOSPHATE C10H14N4O11P2 428.01343127 6831 1 - 427.0061548199093 462.9828325499093 408.99559012990926 411.0101430400907 429.02070772009074 451.0026519700907 446.04725682009075 461.04692247009075 466.97658918009074
DAMP C10H14N5O6P 331.06817017 12599 2 - 330.06089371990925 366.03757144990925 312.0503290299093 314.06488194009074 332.07544662009076 354.0573908700907 349.1019957200907 364.1016613700907 370.03132808009076
439 molecule(s) with at least one fragmentation spectrum