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Name
Formula / Structure
ExactMass
ID
DOPA
10 spectra
C9H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.06882
LC-ESI-ITFT; MS2; m/z:196.06; NEG
KNA00577
LC-ESI-ITFT; MS2; m/z:196.06; NEG
KNA00685
LC-ESI-ITFT; MS2; m/z:198.08; POS
KNA00175
LC-ESI-ITFT; MS2; m/z:198.08; POS
KNA00285
LC-ESI-ITFT; MS2; m/z:346.06; NEG
KNA00578
LC-ESI-ITFT; MS2; m/z:393.13; NEG
KNA00579
LC-ESI-ITFT; MS; NEG
KNA00576
LC-ESI-ITFT; MS; NEG
KNA00684
LC-ESI-ITFT; MS; POS
KNA00173
LC-ESI-ITFT; MS; POS
KNA00284
FAD
16 spectra
C27H33N9O15P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
785.15710
LC-ESI-ITFT; MS2; m/z:348.07; POS
KNA00222
LC-ESI-ITFT; MS2; m/z:348.07; POS
KNA00249
LC-ESI-ITFT; MS2; m/z:437.09; NEG
KNA00613
LC-ESI-ITFT; MS2; m/z:437.09; NEG
KNA00645
LC-ESI-ITFT; MS2; m/z:439.10; POS
KNA00223
LC-ESI-ITFT; MS2; m/z:439.10; POS
KNA00250
LC-ESI-ITFT; MS2; m/z:784.15; NEG
KNA00614
LC-ESI-ITFT; MS2; m/z:784.15; NEG
KNA00646
LC-ESI-ITFT; MS2; m/z:785.15; NEG
KNA00615
LC-ESI-ITFT; MS2; m/z:785.15; NEG
KNA00647
LC-ESI-ITFT; MS2; m/z:786.16; POS
KNA00224
LC-ESI-ITFT; MS2; m/z:786.17; POS
KNA00251
LC-ESI-ITFT; MS; NEG
KNA00612
LC-ESI-ITFT; MS; NEG
KNA00644
LC-ESI-ITFT; MS; POS
KNA00221
LC-ESI-ITFT; MS; POS
KNA00248
Glycerone phosphate
2 spectra
C3H7O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.99802
LC-ESI-ITFT; MS2; m/z:168.99; NEG
KNA00765
LC-ESI-ITFT; MS; NEG
KNA00764
Guanine
9 spectra
C5H5N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.04941
LC-ESI-ITFT; MS2; m/z:136.06; POS
KNA00166
LC-ESI-ITFT; MS2; m/z:150.04; NEG
KNA00641
LC-ESI-ITFT; MS2; m/z:152.06; POS
KNA00167
LC-ESI-ITFT; MS2; m/z:152.06; POS
KNA00246
LC-ESI-ITFT; MS2; m/z:301.09; NEG
KNA00643
LC-ESI-ITFT; MS2; m/z:303.11; POS
KNA00247
LC-ESI-ITFT; MS; NEG
KNA00640
LC-ESI-ITFT; MS; POS
KNA00165
LC-ESI-ITFT; MS; POS
KNA00244
Guanosine
12 spectra
C10H13N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.09167
LC-ESI-ITFT; MS2; m/z:150.04; NEG
KNA00777
LC-ESI-ITFT; MS2; m/z:152.06; POS
KNA00397
LC-ESI-ITFT; MS2; m/z:282.08; NEG
KNA00590
LC-ESI-ITFT; MS2; m/z:282.08; NEG
KNA00778
LC-ESI-ITFT; MS2; m/z:284.10; POS
KNA00192
LC-ESI-ITFT; MS2; m/z:284.10; POS
KNA00398
LC-ESI-ITFT; MS2; m/z:285.10; POS
KNA00399
LC-ESI-ITFT; MS2; m/z:565.18; NEG
KNA00779
LC-ESI-ITFT; MS; NEG
KNA00588
LC-ESI-ITFT; MS; NEG
KNA00776
LC-ESI-ITFT; MS; POS
KNA00189
LC-ESI-ITFT; MS; POS
KNA00396
Hypotaurine
7 spectra
C2H7NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
109.01975
LC-ESI-ITFT; MS2; m/z:110.03; POS
KNA00014
LC-ESI-ITFT; MS2; m/z:110.03; POS
KNA00405
LC-ESI-ITFT; MS2; m/z:126.02; POS
KNA00016
LC-ESI-ITFT; MS2; m/z:126.02; POS
KNA00406
LC-ESI-ITFT; MS2; m/z:251.04; POS
KNA00407
LC-ESI-ITFT; MS; POS
KNA00013
LC-ESI-ITFT; MS; POS
KNA00404
Hypoxanthine
6 spectra
C5H4N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.03851
LC-ESI-ITFT; MS2; m/z:135.03; NEG
KNA00570
LC-ESI-ITFT; MS2; m/z:137.05; POS
KNA00472
LC-ESI-ITFT; MS2; m/z:271.07; NEG
KNA00571
LC-ESI-ITFT; MS2; m/z:273.08; POS
KNA00473
LC-ESI-ITFT; MS; NEG
KNA00569
LC-ESI-ITFT; MS; POS
KNA00471
Inosine
11 spectra
C10H12N4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.08078
LC-ESI-ITFT; MS2; m/z:135.03; NEG
KNA00581
LC-ESI-ITFT; MS2; m/z:135.03; NEG
KNA00709
LC-ESI-ITFT; MS2; m/z:137.05; POS
KNA00309
LC-ESI-ITFT; MS2; m/z:267.07; NEG
KNA00582
LC-ESI-ITFT; MS2; m/z:267.07; NEG
KNA00710
LC-ESI-ITFT; MS2; m/z:269.09; POS
KNA00179
LC-ESI-ITFT; MS2; m/z:269.09; POS
KNA00311
LC-ESI-ITFT; MS; NEG
KNA00580
LC-ESI-ITFT; MS; NEG
KNA00708
LC-ESI-ITFT; MS; POS
KNA00177
LC-ESI-ITFT; MS; POS
KNA00308
L-(+)-Arginine
13 spectra
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11168
LC-ESI-ITFT; MS2; m/z:173.10; NEG
KNA00505
LC-ESI-ITFT; MS2; m/z:173.10; NEG
KNA00786
LC-ESI-ITFT; MS2; m/z:175.12; POS
KNA00095
LC-ESI-ITFT; MS2; m/z:175.12; POS
KNA00413
LC-ESI-ITFT; MS2; m/z:176.12; POS
KNA00096
LC-ESI-ITFT; MS2; m/z:176.12; POS
KNA00414
LC-ESI-ITFT; MS2; m/z:197.10; POS
KNA00415
LC-ESI-ITFT; MS2; m/z:241.09; NEG
KNA00506
LC-ESI-ITFT; MS2; m/z:241.09; NEG
KNA00787
LC-ESI-ITFT; MS; NEG
KNA00503
LC-ESI-ITFT; MS; NEG
KNA00784
LC-ESI-ITFT; MS; POS
KNA00093
LC-ESI-ITFT; MS; POS
KNA00412
L-(+)-Lysine
6 spectra
C6H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.10553
LC-ESI-ITFT; MS2; m/z:130.09; POS
KNA00070
LC-ESI-ITFT; MS2; m/z:147.11; POS
KNA00071
LC-ESI-ITFT; MS2; m/z:147.11; POS
KNA00258
LC-ESI-ITFT; MS2; m/z:148.12; POS
KNA00072
LC-ESI-ITFT; MS; POS
KNA00069
LC-ESI-ITFT; MS; POS
KNA00256
L-(-)-Malic acid
2 spectra
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.02151
LC-ESI-ITFT; MS2; m/z:133.01; NEG
KNA00529
LC-ESI-ITFT; MS; NEG
KNA00527
L-(-)-Phenylalanine
10 spectra
C9H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.07898
LC-ESI-ITFT; MS2; m/z:120.08; POS
KNA00090
LC-ESI-ITFT; MS2; m/z:120.08; POS
KNA00385
LC-ESI-ITFT; MS2; m/z:164.07; NEG
KNA00761
LC-ESI-ITFT; MS2; m/z:166.09; POS
KNA00091
LC-ESI-ITFT; MS2; m/z:166.09; POS
KNA00386
LC-ESI-ITFT; MS2; m/z:167.09; POS
KNA00092
LC-ESI-ITFT; MS2; m/z:167.09; POS
KNA00387
LC-ESI-ITFT; MS; NEG
KNA00760
LC-ESI-ITFT; MS; POS
KNA00089
LC-ESI-ITFT; MS; POS
KNA00384
L-(-)-Proline
8 spectra
C5H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
115.06333
LC-ESI-ITFT; MS2; m/z:116.07; POS
KNA00022
LC-ESI-ITFT; MS2; m/z:116.07; POS
KNA00456
LC-ESI-ITFT; MS2; m/z:117.07; POS
KNA00023
LC-ESI-ITFT; MS2; m/z:117.07; POS
KNA00457
LC-ESI-ITFT; MS2; m/z:231.13; POS
KNA00024
LC-ESI-ITFT; MS2; m/z:231.13; POS
KNA00458
LC-ESI-ITFT; MS; POS
KNA00021
LC-ESI-ITFT; MS; POS
KNA00455
L-(-)-Threonine
8 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
LC-ESI-ITFT; MS2; m/z:102.05; POS
KNA00253
LC-ESI-ITFT; MS2; m/z:118.05; NEG
KNA00649
LC-ESI-ITFT; MS2; m/z:120.07; POS
KNA00030
LC-ESI-ITFT; MS2; m/z:120.07; POS
KNA00254
LC-ESI-ITFT; MS2; m/z:121.07; POS
KNA00255
LC-ESI-ITFT; MS; NEG
KNA00648
LC-ESI-ITFT; MS; POS
KNA00029
LC-ESI-ITFT; MS; POS
KNA00252
L-Asparagine
15 spectra
C4H8N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
132.05350
LC-ESI-ITFT; MS2; m/z:114.02; NEG
KNA00737
LC-ESI-ITFT; MS2; m/z:131.05; NEG
KNA00484
LC-ESI-ITFT; MS2; m/z:131.05; NEG
KNA00738
LC-ESI-ITFT; MS2; m/z:132.03; NEG
KNA00485
LC-ESI-ITFT; MS2; m/z:133.06; POS
KNA00046
LC-ESI-ITFT; MS2; m/z:133.06; POS
KNA00353
LC-ESI-ITFT; MS2; m/z:134.06; POS
KNA00354
LC-ESI-ITFT; MS2; m/z:263.10; NEG
KNA00486
LC-ESI-ITFT; MS2; m/z:263.10; NEG
KNA00739
LC-ESI-ITFT; MS2; m/z:265.11; POS
KNA00048
LC-ESI-ITFT; MS2; m/z:265.11; POS
KNA00355
LC-ESI-ITFT; MS; NEG
KNA00483
LC-ESI-ITFT; MS; NEG
KNA00736
LC-ESI-ITFT; MS; POS
KNA00045
LC-ESI-ITFT; MS; POS
KNA00352
L-Aspartic acid
11 spectra
C4H7NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.03751
LC-ESI-ITFT; MS2; m/z:118.05; NEG
KNA00488
LC-ESI-ITFT; MS2; m/z:132.03; NEG
KNA00489
LC-ESI-ITFT; MS2; m/z:132.03; NEG
KNA00757
LC-ESI-ITFT; MS2; m/z:133.06; POS
KNA00051
LC-ESI-ITFT; MS2; m/z:134.04; POS
KNA00052
LC-ESI-ITFT; MS2; m/z:134.04; POS
KNA00381
LC-ESI-ITFT; MS2; m/z:265.07; NEG
KNA00758
LC-ESI-ITFT; MS; NEG
KNA00487
LC-ESI-ITFT; MS; NEG
KNA00756
LC-ESI-ITFT; MS; POS
KNA00049
LC-ESI-ITFT; MS; POS
KNA00380
L-Carnosine
12 spectra
C9H14N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.10658
LC-ESI-ITFT; MS2; m/z:110.07; NEG
KNA00512
LC-ESI-ITFT; MS2; m/z:114.06; POS
KNA00110
LC-ESI-ITFT; MS2; m/z:114.06; POS
KNA00261
LC-ESI-ITFT; MS2; m/z:156.08; POS
KNA00111
LC-ESI-ITFT; MS2; m/z:225.10; NEG
KNA00513
LC-ESI-ITFT; MS2; m/z:225.10; NEG
KNA00653
LC-ESI-ITFT; MS2; m/z:227.11; POS
KNA00263
LC-ESI-ITFT; MS2; m/z:451.21; NEG
KNA00514
LC-ESI-ITFT; MS; NEG
KNA00511
LC-ESI-ITFT; MS; NEG
KNA00652
LC-ESI-ITFT; MS; POS
KNA00109
LC-ESI-ITFT; MS; POS
KNA00260
L-Citrulline
11 spectra
C6H13N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.09569
LC-ESI-ITFT; MS2; m/z:131.08; NEG
KNA00805
LC-ESI-ITFT; MS2; m/z:159.08; POS
KNA00099
LC-ESI-ITFT; MS2; m/z:159.08; POS
KNA00440
LC-ESI-ITFT; MS2; m/z:174.09; NEG
KNA00806
LC-ESI-ITFT; MS2; m/z:176.10; POS
KNA00100
LC-ESI-ITFT; MS2; m/z:176.10; POS
KNA00441
LC-ESI-ITFT; MS2; m/z:349.18; NEG
KNA00807
LC-ESI-ITFT; MS2; m/z:351.20; POS
KNA00442
LC-ESI-ITFT; MS; NEG
KNA00804
LC-ESI-ITFT; MS; POS
KNA00097
LC-ESI-ITFT; MS; POS
KNA00439
L-Cysteine
4 spectra
C3H7NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.01975
LC-ESI-ITFT; MS2; m/z:122.03; POS
KNA00146
LC-ESI-ITFT; MS2; m/z:122.03; POS
KNA00370
LC-ESI-ITFT; MS; POS
KNA00145
LC-ESI-ITFT; MS; POS
KNA00368
L-Cysteine Sulfinic acid
8 spectra
C3H7NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.00958
LC-ESI-ITFT; MS2; m/z:152.00; NEG
KNA00535
LC-ESI-ITFT; MS2; m/z:152.00; NEG
KNA00721
LC-ESI-ITFT; MS2; m/z:154.02; POS
KNA00130
LC-ESI-ITFT; MS2; m/z:154.02; POS
KNA00333
LC-ESI-ITFT; MS; NEG
KNA00534
LC-ESI-ITFT; MS; NEG
KNA00720
LC-ESI-ITFT; MS; POS
KNA00129
LC-ESI-ITFT; MS; POS
KNA00332
L-Glutamic acid
9 spectra
C5H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.05316
LC-ESI-ITFT; MS2; m/z:130.05; POS
KNA00277
LC-ESI-ITFT; MS2; m/z:146.05; NEG
KNA00497
LC-ESI-ITFT; MS2; m/z:146.05; NEG
KNA00674
LC-ESI-ITFT; MS2; m/z:148.06; POS
KNA00074
LC-ESI-ITFT; MS2; m/z:148.06; POS
KNA00278
LC-ESI-ITFT; MS; NEG
KNA00495
LC-ESI-ITFT; MS; NEG
KNA00672
LC-ESI-ITFT; MS; POS
KNA00073
LC-ESI-ITFT; MS; POS
KNA00276
L-Glutamine
14 spectra
C5H10N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.06914
LC-ESI-ITFT; MS2; m/z:130.05; POS
KNA00066
LC-ESI-ITFT; MS2; m/z:130.05; POS
KNA00237
LC-ESI-ITFT; MS2; m/z:145.06; NEG
KNA00492
LC-ESI-ITFT; MS2; m/z:145.06; NEG
KNA00629
LC-ESI-ITFT; MS2; m/z:147.08; POS
KNA00067
LC-ESI-ITFT; MS2; m/z:147.08; POS
KNA00238
LC-ESI-ITFT; MS2; m/z:148.08; POS
KNA00068
LC-ESI-ITFT; MS2; m/z:148.08; POS
KNA00239
LC-ESI-ITFT; MS2; m/z:291.13; NEG
KNA00493
LC-ESI-ITFT; MS2; m/z:291.13; NEG
KNA00630
LC-ESI-ITFT; MS; NEG
KNA00491
LC-ESI-ITFT; MS; NEG
KNA00628
LC-ESI-ITFT; MS; POS
KNA00065
LC-ESI-ITFT; MS; POS
KNA00236
L-Glutathione (oxidized form)
6 spectra
C20H32N6O12S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
612.15198
LC-ESI-ITFT; MS2; m/z:306.08; NEG
KNA00585
LC-ESI-ITFT; MS2; m/z:307.08; POS
KNA00182
LC-ESI-ITFT; MS2; m/z:611.15; NEG
KNA00587
LC-ESI-ITFT; MS2; m/z:613.16; POS
KNA00184
LC-ESI-ITFT; MS; NEG
KNA00584
LC-ESI-ITFT; MS; POS
KNA00181
L-Glutathione (reduced form)
8 spectra
C10H17N3O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.08380
LC-ESI-ITFT; MS2; m/z:306.08; NEG
KNA00520
LC-ESI-ITFT; MS2; m/z:307.08; NEG
KNA00521
LC-ESI-ITFT; MS2; m/z:308.09; POS
KNA00122
LC-ESI-ITFT; MS2; m/z:309.09; POS
KNA00123
LC-ESI-ITFT; MS2; m/z:613.16; NEG
KNA00522
LC-ESI-ITFT; MS2; m/z:615.17; POS
KNA00124
LC-ESI-ITFT; MS; NEG
KNA00519
LC-ESI-ITFT; MS; POS
KNA00121
L-Histidine
6 spectra
C6H9N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.06947
LC-ESI-ITFT; MS2; m/z:154.06; NEG
KNA00500
LC-ESI-ITFT; MS2; m/z:154.06; NEG
KNA00741
LC-ESI-ITFT; MS; NEG
KNA00499
LC-ESI-ITFT; MS; NEG
KNA00740
LC-ESI-ITFT; MS; POS
KNA00085
LC-ESI-ITFT; MS; POS
KNA00356
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NORMAN Association
; 2021
MassBank Consortium
Responsible:
Dr. Tobias Schulze