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]+
INDOLE-3-ACETAMIDE C10H10N2O 174.07931 397 4 - 173.07204 209.04871 155.06147 None 157.07602 175.08659 197.06853 192.11314 207.11280 213.04247
FERULATE C10H10O4 194.05791 445858 1 - 193.05063 229.02731 175.04007 None 177.05462 195.06519 217.04713 212.09173 227.09140 233.02107
INDOLE-3-ETHANOL C10H11NO 161.08406 10685 1 - 160.07679 196.05347 142.06622 None 144.08078 162.09134 184.07328 179.11789 194.11756 200.04722
TRYPTAMINE C10H12N2 160.10005 1150 2 - 159.09277 195.06945 -1.00000 None -1.00000 161.10732 183.08927 178.13387 193.13354 199.06321
SEROTONIN C10H12N2O 176.09496 5202 2 - 175.08769 211.06436 157.07712 None 159.09167 177.10224 199.08418 194.12879 209.12845 215.05812
KYNURENINE C10H12N2O3 208.08479 846 3 - 207.07752 243.05419 189.06695 None 191.08150 209.09207 231.07401 226.11862 241.11828 247.04795
L-KYNURENINE C10H12N2O3 208.08479 161166 3 - 207.07752 243.05419 189.06695 None 191.08150 209.09207 231.07401 226.11862 241.11828 247.04795
3-HYDROXYKYNURENINE C10H12N2O4 224.07971 89 3 - 223.07243 259.04911 205.06187 None 207.07642 225.08698 247.06893 242.11353 257.11320 263.04286
INOSINE C10H12N4O5 268.08077 6021 1 - 267.07349 303.05017 249.06293 None 251.07748 269.08805 291.06999 286.11460 301.11426 307.04393
XANTHOSINE C10H12N4O6 284.07568 64959 2 - 283.06841 319.04509 265.05784 None 267.07240 285.08296 307.06490 302.10951 317.10918 323.03884
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
GUANOSINE 3',5'-CYCLIC MONOPHOSPHATE C10H12N5O7P 345.04743 24316 2 - 344.04016 380.01684 326.02959 None 328.04415 346.05471 368.03666 363.08126 378.08093 384.01059
INOSINE 5'-PHOSPHATE C10H13N4O8P 348.04710 8582 5 - 347.03982 383.01650 329.02926 None 331.04381 349.05438 371.03632 366.08093 381.08059 387.01026
XANTHOSINE 5'-MONOPHOSPHATE C10H13N4O9P 364.04201 73323 1 - 363.03474 399.01142 345.02417 None 347.03873 365.04929 387.03124 382.07584 397.07551 403.00517
N6-(DELTA2-ISOPENTENYL)-ADENINE C10H13N5 203.11710 92180 4 - 202.10982 238.08650 -1.00000 None -1.00000 204.12437 226.10632 221.15092 236.15059 242.08025
5'-DEOXYADENOSINE C10H13N5O3 251.10184 439182 3 - 250.09456 286.07124 232.08400 None 234.09855 252.10912 274.09106 269.13566 284.13533 290.06500
Adenosine C10H13N5O4 267.09675 60961 1 - 266.08948 302.06616 248.07891 None 250.09347 268.10403 290.08597 285.13058 300.13025 306.05991
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
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE C10H13NO2 179.09463 91588 1 - 178.08735 214.06403 160.07679 None 162.09134 180.10191 202.08385 197.12845 212.12812 218.05779
THYMIDINE C10H14N2O5 242.09027 5789 1 - 241.08300 277.05967 223.07243 None 225.08698 243.09755 265.07949 260.12410 275.12376 281.05343
INOSINE 5'-DIPHOSPHATE C10H14N4O11P2 428.01343 6831 1 - 427.00615 462.98283 408.99559 None 411.01014 429.02071 451.00265 446.04726 461.04692 466.97659
DAMP C10H14N5O6P 331.06817 12599 2 - 330.06089 366.03757 312.05033 None 314.06488 332.07545 354.05739 349.10200 364.10166 370.03133
Adenosine monophosphate C10H14N5O7P 347.06308 6083 9 - 346.05581 382.03249 328.04524 None 330.05980 348.07036 370.05231 365.09691 380.09658 386.02624
THYMIDINE 5'-MONOPHOSPHATE C10H15N2O8P 322.05660 9700 3 - 321.04933 357.02600 303.03876 None 305.05331 323.06388 345.04582 340.09043 355.09009 361.01976
INOSINE 5'-TRIPHOSPHATE C10H15N4O14P3 507.97976 8583 12 - 506.97249 542.94916 488.96192 None 490.97647 508.98704 530.96898 526.01359 541.01325 546.94292
435 molecule(s) with at least one fragmentation spectrum