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LC-ESI-QQ
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Name
Formula / Structure
ExactMass
ID
2,3-Dihydroxypropanoic acid, Glycerate, DL-Glyceri...
1 spectrum
C3H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
106.07700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118407
2,3-Diphosphoglycerate
10 spectra
C3H8O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.95926
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002642
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000559
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002643
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000560
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002644
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000561
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002645
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000562
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002646
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000563
2,4,5-Trichlorophenoxyacetate
5 spectra
C8H5Cl3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.93044
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001968
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001969
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001970
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001971
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001972
2,4-Diaminobutyric acid
5 spectra
C4H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.07423
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002672
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002673
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002674
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002675
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002676
2,4-Dichlorobenzoic acid
5 spectra
C7H4Cl2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.95883
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000674
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000675
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000676
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000677
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000678
2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluraci...
3 spectra
C5H6N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.11500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036107
2,4-Dihydroxypyrimidine, Uracil, 2,4-Pyrimidinedio...
3 spectra
C4H4N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
112.08800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS006101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS006102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS006107
2,4-Dimethylaniline
5 spectra
C8H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.08915
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002806
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002807
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002808
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002809
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002810
2,4-Dinitrophenol
5 spectra
C6H4N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.01202
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000644
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000645
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000646
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000647
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000648
2,5-Dihydroxy-1,4-dioxane, Glycolaldehyde dimer,mi...
1 spectrum
C4H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.10400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS008801
2,5-Dihydroxydioxane-2,5-dimethanol, 1,3-Dihydroxy...
1 spectrum
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.15601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS000206
2,5-Dihydroxyphenylacetate, 2,5-Dihydroxyphenylace...
2 spectra
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.14799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS055907
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS055908
2,6-Dichloro-4-nitroaniline
5 spectra
C6H4Cl2N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.96498
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000589
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000590
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000591
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000592
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000593
2,6-Diethylaniline
5 spectra
C10H15N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.12045
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002677
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002678
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002679
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002680
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002681
2,6-Dimethylaniline
5 spectra
C8H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.08915
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002801
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002802
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002803
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002804
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002805
2-(3-methylbutanoylamino)acetic acid, N-Isovaleroy...
6 spectra
C7H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
159.18500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS101401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS101402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS101403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS101404
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS101407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS101408
2-(4-Chlorophenyl)ethylamine
8 spectra
C8H10ClN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.05017
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00523
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00524
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00525
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00526
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00519
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00520
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00521
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00522
2-(4-Fluorophenyl)ethylamine
8 spectra
C8H10FN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.07973
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00514
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00515
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00516
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00517
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00510
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00511
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00512
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00513
2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Ami...
6 spectra
C8H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.18201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036404
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036405
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS036406
2-(4-Hydroxyphenyl)propionic acid
5 spectra
C9H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.06299
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001140
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001141
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001142
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001143
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001144
2-(4-Methoxyphenyl)ethylamine
8 spectra
C9H13NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.09972
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00497
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00498
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00499
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00500
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00493
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00494
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00495
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00496
2-(4-Methylphenyl)ethylamine
7 spectra
C9H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.10480
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00505
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00506
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00507
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00508
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00502
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00503
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00504
2-(4-Nitrophenyl)ethylamine
10 spectra
C8H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.07422
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00544
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00545
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00546
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00547
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V
MSBNK-MSSJ-MSJ00548
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00539
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00540
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00541
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00542
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00543
2-(4-Trifluoromethylphenyl)ethylamine
10 spectra
C9H10F3N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.07652
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V
MSBNK-MSSJ-MSJ00533
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V
MSBNK-MSSJ-MSJ00534
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V
MSBNK-MSSJ-MSJ00535
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V
MSBNK-MSSJ-MSJ00536
LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V
MSBNK-MSSJ-MSJ00537
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00528
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00529
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00530
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00531
LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00532
2-(Perfluorooctyl)ethanol
2 spectra
C10H5F17O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
464.00690
LC-ESI-QQ; MS2; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ00028
LC-ESI-QQ; MS2; [M-H]-; CE 45 V
MSBNK-MSSJ-MSJ00029
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