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621 Hit.
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Name
Formula / Structure
ExactMass
ID
2-Oxoglutaric acid
6 spectra
C5H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.02151
LC-ESI-ITFT; MS2; m/z:101.02; NEG
KNA00531
LC-ESI-ITFT; MS2; m/z:101.02; NEG
KNA00701
LC-ESI-ITFT; MS2; m/z:145.01; NEG
KNA00533
LC-ESI-ITFT; MS2; m/z:145.01; NEG
KNA00702
LC-ESI-ITFT; MS; NEG
KNA00530
LC-ESI-ITFT; MS; NEG
KNA00700
3',5'-Cyclic AMP
16 spectra
C10H12N5O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.05252
LC-ESI-ITFT; MS2; m/z:134.05; NEG
KNA00593
LC-ESI-ITFT; MS2; m/z:134.05; NEG
KNA00797
LC-ESI-ITFT; MS2; m/z:284.10; POS
KNA00194
LC-ESI-ITFT; MS2; m/z:328.04; NEG
KNA00594
LC-ESI-ITFT; MS2; m/z:328.04; NEG
KNA00798
LC-ESI-ITFT; MS2; m/z:330.06; POS
KNA00195
LC-ESI-ITFT; MS2; m/z:330.06; POS
KNA00428
LC-ESI-ITFT; MS2; m/z:331.06; POS
KNA00196
LC-ESI-ITFT; MS2; m/z:331.06; POS
KNA00429
LC-ESI-ITFT; MS2; m/z:657.10; NEG
KNA00595
LC-ESI-ITFT; MS2; m/z:657.10; NEG
KNA00799
LC-ESI-ITFT; MS2; m/z:659.11; POS
KNA00430
LC-ESI-ITFT; MS; NEG
KNA00592
LC-ESI-ITFT; MS; NEG
KNA00796
LC-ESI-ITFT; MS; POS
KNA00193
LC-ESI-ITFT; MS; POS
KNA00427
3-Phospho-D-glycerate
1 spectrum
C3H7O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
185.99294
LC-ESI-ITFT; MS2; m/z:184.99; NEG
KNA00822
4-Aminobutanoic acid
5 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-ITFT; MS2; m/z:104.07; POS
KNA00006
LC-ESI-ITFT; MS2; m/z:104.07; POS
KNA00317
LC-ESI-ITFT; MS2; m/z:105.07; POS
KNA00007
LC-ESI-ITFT; MS; POS
KNA00005
LC-ESI-ITFT; MS; POS
KNA00316
4-Hydroxy-L-proline
8 spectra
C5H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.05824
LC-ESI-ITFT; MS2; m/z:130.05; NEG
KNA00697
LC-ESI-ITFT; MS2; m/z:132.07; POS
KNA00040
LC-ESI-ITFT; MS2; m/z:132.07; POS
KNA00297
LC-ESI-ITFT; MS2; m/z:133.07; POS
KNA00298
LC-ESI-ITFT; MS2; m/z:261.11; NEG
KNA00698
LC-ESI-ITFT; MS; NEG
KNA00696
LC-ESI-ITFT; MS; POS
KNA00037
LC-ESI-ITFT; MS; POS
KNA00296
6-Phospho-D-gluconic acid
4 spectra
C6H13O10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.02463
LC-ESI-ITFT; MS2; m/z:194.93; NEG
KNA00749
LC-ESI-ITFT; MS2; m/z:275.02; NEG
KNA00750
LC-ESI-ITFT; MS2; m/z:372.98; NEG
KNA00751
LC-ESI-ITFT; MS; NEG
KNA00748
Acetyl-CoA
7 spectra
C23H38N7O17P3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
809.12579
LC-ESI-ITFT; MS2; m/z:134.05; NEG
KNA00605
LC-ESI-ITFT; MS2; m/z:405.57; POS
KNA00207
LC-ESI-ITFT; MS2; m/z:808.12; NEG
KNA00606
LC-ESI-ITFT; MS2; m/z:809.12; NEG
KNA00607
LC-ESI-ITFT; MS2; m/z:810.13; POS
KNA00208
LC-ESI-ITFT; MS; NEG
KNA00604
LC-ESI-ITFT; MS; POS
KNA00205
Adenine
5 spectra
C5H5N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.05450
LC-ESI-ITFT; MS2; m/z:134.05; NEG
KNA00567
LC-ESI-ITFT; MS2; m/z:136.06; POS
KNA00444
LC-ESI-ITFT; MS2; m/z:137.06; POS
KNA00445
LC-ESI-ITFT; MS; POS
KNA00157
LC-ESI-ITFT; MS; POS
KNA00443
Adenosine
4 spectra
C10H13N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.09674
LC-ESI-ITFT; MS2; m/z:268.10; POS
KNA00118
LC-ESI-ITFT; MS2; m/z:268.10; POS
KNA00306
LC-ESI-ITFT; MS2; m/z:269.11; POS
KNA00119
LC-ESI-ITFT; MS; POS
KNA00117
ADP
2 spectra
C10H15N5O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.02942
LC-ESI-ITFT; MS2; m/z:426.02; NEG
KNA00825
LC-ESI-ITFT; MS; NEG
KNA00824
alpha-D-Glucose 6-phosphate
8 spectra
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-ITFT; MS2; m/z:152.00; NEG
KNA00725
LC-ESI-ITFT; MS2; m/z:154.02; POS
KNA00337
LC-ESI-ITFT; MS2; m/z:171.15; POS
KNA00338
LC-ESI-ITFT; MS2; m/z:259.02; NEG
KNA00726
LC-ESI-ITFT; MS2; m/z:261.04; POS
KNA00339
LC-ESI-ITFT; MS2; m/z:519.05; NEG
KNA00727
LC-ESI-ITFT; MS; NEG
KNA00724
LC-ESI-ITFT; MS; POS
KNA00336
AMP
13 spectra
C10H14N5O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
347.06308
LC-ESI-ITFT; MS2; m/z:1040.18; NEG
KNA00817
LC-ESI-ITFT; MS2; m/z:136.06; POS
KNA00448
LC-ESI-ITFT; MS2; m/z:346.05; NEG
KNA00818
LC-ESI-ITFT; MS2; m/z:346.06; NEG
KNA00597
LC-ESI-ITFT; MS2; m/z:348.07; POS
KNA00199
LC-ESI-ITFT; MS2; m/z:348.07; POS
KNA00449
LC-ESI-ITFT; MS2; m/z:349.07; POS
KNA00450
LC-ESI-ITFT; MS2; m/z:693.12; NEG
KNA00599
LC-ESI-ITFT; MS2; m/z:693.12; NEG
KNA00819
LC-ESI-ITFT; MS; NEG
KNA00596
LC-ESI-ITFT; MS; NEG
KNA00816
LC-ESI-ITFT; MS; POS
KNA00197
LC-ESI-ITFT; MS; POS
KNA00447
Anthranilic acid
8 spectra
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.04768
LC-ESI-ITFT; MS2; m/z:120.04; POS
KNA00058
LC-ESI-ITFT; MS2; m/z:120.04; POS
KNA00436
LC-ESI-ITFT; MS2; m/z:138.05; POS
KNA00059
LC-ESI-ITFT; MS2; m/z:138.06; POS
KNA00437
LC-ESI-ITFT; MS2; m/z:139.06; POS
KNA00060
LC-ESI-ITFT; MS2; m/z:139.06; POS
KNA00438
LC-ESI-ITFT; MS; POS
KNA00057
LC-ESI-ITFT; MS; POS
KNA00435
beta-D-Fructose 6-phosphate
4 spectra
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-ITFT; MS2; m/z:259.02; NEG
KNA00705
LC-ESI-ITFT; MS2; m/z:519.05; NEG
KNA00706
LC-ESI-ITFT; MS2; m/z:779.08; NEG
KNA00707
LC-ESI-ITFT; MS; NEG
KNA00704
CDP
6 spectra
C9H15N3O11P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.01819
LC-ESI-ITFT; MS2; m/z:158.93; NEG
KNA00801
LC-ESI-ITFT; MS2; m/z:384.00; NEG
KNA00802
LC-ESI-ITFT; MS2; m/z:402.01; NEG
KNA00803
LC-ESI-ITFT; MS2; m/z:404.02; POS
KNA00216
LC-ESI-ITFT; MS; NEG
KNA00800
LC-ESI-ITFT; MS; POS
KNA00213
cis-Aconitic acid
8 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.01643
LC-ESI-ITFT; MS2; m/z:129.02; NEG
KNA00543
LC-ESI-ITFT; MS2; m/z:129.02; NEG
KNA00809
LC-ESI-ITFT; MS2; m/z:173.01; NEG
KNA00544
LC-ESI-ITFT; MS2; m/z:173.01; NEG
KNA00810
LC-ESI-ITFT; MS2; m/z:174.01; NEG
KNA00545
LC-ESI-ITFT; MS2; m/z:369.01; NEG
KNA00811
LC-ESI-ITFT; MS; NEG
KNA00542
LC-ESI-ITFT; MS; NEG
KNA00808
Citric acid
6 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
LC-ESI-ITFT; MS2; m/z:111.01; NEG
KNA00551
LC-ESI-ITFT; MS2; m/z:111.01; NEG
KNA00813
LC-ESI-ITFT; MS2; m/z:191.02; NEG
KNA00552
LC-ESI-ITFT; MS2; m/z:191.02; NEG
KNA00814
LC-ESI-ITFT; MS; NEG
KNA00550
LC-ESI-ITFT; MS; NEG
KNA00812
Creatine
14 spectra
C4H9N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.06947
LC-ESI-ITFT; MS2; m/z:130.06; NEG
KNA00559
LC-ESI-ITFT; MS2; m/z:130.06; NEG
KNA00773
LC-ESI-ITFT; MS2; m/z:132.08; POS
KNA00151
LC-ESI-ITFT; MS2; m/z:132.08; POS
KNA00393
LC-ESI-ITFT; MS2; m/z:133.08; POS
KNA00394
LC-ESI-ITFT; MS2; m/z:261.13; NEG
KNA00560
LC-ESI-ITFT; MS2; m/z:261.13; NEG
KNA00774
LC-ESI-ITFT; MS2; m/z:263.15; POS
KNA00152
LC-ESI-ITFT; MS2; m/z:263.15; POS
KNA00395
LC-ESI-ITFT; MS2; m/z:392.20; NEG
KNA00561
LC-ESI-ITFT; MS2; m/z:392.20; NEG
KNA00775
LC-ESI-ITFT; MS; NEG
KNA00772
LC-ESI-ITFT; MS; POS
KNA00149
LC-ESI-ITFT; MS; POS
KNA00392
Cytidine
12 spectra
C9H13N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
243.08553
LC-ESI-ITFT; MS2; m/z:112.05; POS
KNA00226
LC-ESI-ITFT; MS2; m/z:242.08; NEG
KNA00621
LC-ESI-ITFT; MS2; m/z:242.08; NEG
KNA00693
LC-ESI-ITFT; MS2; m/z:244.09; POS
KNA00227
LC-ESI-ITFT; MS2; m/z:244.09; POS
KNA00294
LC-ESI-ITFT; MS2; m/z:288.08; NEG
KNA00622
LC-ESI-ITFT; MS2; m/z:288.08; NEG
KNA00694
LC-ESI-ITFT; MS2; m/z:487.18; POS
KNA00295
LC-ESI-ITFT; MS; NEG
KNA00620
LC-ESI-ITFT; MS; NEG
KNA00692
LC-ESI-ITFT; MS; POS
KNA00225
LC-ESI-ITFT; MS; POS
KNA00292
Cytosine
8 spectra
C4H5N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.04326
LC-ESI-ITFT; MS2; m/z:112.05; POS
KNA00018
LC-ESI-ITFT; MS2; m/z:112.05; POS
KNA00432
LC-ESI-ITFT; MS2; m/z:158.00; POS
KNA00433
LC-ESI-ITFT; MS2; m/z:223.09; POS
KNA00019
LC-ESI-ITFT; MS2; m/z:223.09; POS
KNA00434
LC-ESI-ITFT; MS2; m/z:224.10; POS
KNA00020
LC-ESI-ITFT; MS; POS
KNA00017
LC-ESI-ITFT; MS; POS
KNA00431
D-2-Aminobutyric acid
5 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-ITFT; MS2; m/z:104.07; POS
KNA00002
LC-ESI-ITFT; MS2; m/z:104.07; POS
KNA00349
LC-ESI-ITFT; MS2; m/z:207.13; POS
KNA00004
LC-ESI-ITFT; MS; POS
KNA00001
LC-ESI-ITFT; MS; POS
KNA00348
D-Gluconic acid
6 spectra
C6H12O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.05830
LC-ESI-ITFT; MS2; m/z:150.04; NEG
KNA00637
LC-ESI-ITFT; MS2; m/z:151.03; NEG
KNA00547
LC-ESI-ITFT; MS2; m/z:195.05; NEG
KNA00548
LC-ESI-ITFT; MS2; m/z:195.05; NEG
KNA00638
LC-ESI-ITFT; MS; NEG
KNA00546
LC-ESI-ITFT; MS; NEG
KNA00636
D-Glucose 1-phosphate
3 spectra
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-ITFT; MS2; m/z:259.02; NEG
KNA00681
LC-ESI-ITFT; MS2; m/z:519.05; NEG
KNA00682
LC-ESI-ITFT; MS; NEG
KNA00680
D-Ribose 5-phosphate
4 spectra
C5H11O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.01915
LC-ESI-ITFT; MS2; m/z:229.01; NEG
KNA00657
LC-ESI-ITFT; MS2; m/z:459.03; NEG
KNA00658
LC-ESI-ITFT; MS2; m/z:689.05; NEG
KNA00659
LC-ESI-ITFT; MS; NEG
KNA00656
DL-Isocitric acid
7 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
LC-ESI-ITFT; MS2; m/z:173.01; NEG
KNA00793
LC-ESI-ITFT; MS2; m/z:175.02; POS
KNA00421
LC-ESI-ITFT; MS2; m/z:191.02; NEG
KNA00794
LC-ESI-ITFT; MS2; m/z:193.03; POS
KNA00422
LC-ESI-ITFT; MS2; m/z:224.13; POS
KNA00423
LC-ESI-ITFT; MS; NEG
KNA00792
LC-ESI-ITFT; MS; POS
KNA00420
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