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Name
Formula / Structure
ExactMass
ID
Phosphoarginine
5 spectra
C6H15N4O5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.07800
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003878
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003879
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003880
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003881
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003882
Phosphocholine
5 spectra
[C5H15NO4P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.07387
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003823
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003824
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003825
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003826
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003827
Phosphocreatine
8 spectra
C4H10N3O5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.03581
LC-ESI-IT; MS2; m/z: 212; [M+H]+
MSBNK-Keio_Univ-KO009218
LC-ESI-IT; MS3; m/z: 212/114; [M+H]+
MSBNK-Keio_Univ-KO009220
LC-ESI-IT; MS3; m/z: 212/194; [M+H]+
MSBNK-Keio_Univ-KO009219
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003848
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003849
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003850
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003851
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003852
Phosphoenolpyruvic acid
10 spectra
C3H5O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.98238
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003676
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001571
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003677
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001572
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003678
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001573
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003679
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001574
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003680
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001575
Phosphonoacetate
5 spectra
C2H5O5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.98746
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003843
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003844
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003845
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003846
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003847
Phosphoramidon
10 spectra
C23H34N3O10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
543.19818
LC-ESI-IT; MS2; m/z: 544; [M+H]+
MSBNK-Keio_Univ-KO009148
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003888
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001730
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003889
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001731
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003890
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001732
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003891
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001733
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001734
Phthalic acid
5 spectra
C8H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.02661
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001691
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001692
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001693
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001694
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001695
Picolinamide
5 spectra
C6H6N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
122.04801
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003873
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003874
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003875
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003876
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003877
Picolinic acid
5 spectra
C6H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
123.03203
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003728
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003729
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003730
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003731
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003732
Pimelic acid
5 spectra
C7H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.07356
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001651
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001652
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001653
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001654
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001655
Piperacillin
8 spectra
C23H27N5O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
517.16315
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001620
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001621
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003720
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001622
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003721
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001623
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003722
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001624
Piperazine
5 spectra
C4H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
86.08440
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003733
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003734
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003735
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003736
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003737
Piperidine
5 spectra
C5H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
85.08915
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003705
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003706
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003707
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003708
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003709
Pirimicarb
11 spectra
C11H18N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.14297
LC-ESI-IT; MS2; m/z: 239; [M+H]+
MSBNK-Keio_Univ-KO009151
LC-ESI-IT; MS3; m/z: 239/166; [M+H]+
MSBNK-Keio_Univ-KO009154
LC-ESI-IT; MS3; m/z: 239/182; [M+H]+
MSBNK-Keio_Univ-KO009153
LC-ESI-IT; MS3; m/z: 239/195; [M+H]+
MSBNK-Keio_Univ-KO009152
LC-ESI-IT; MS4; m/z: 239/182/137; [M+H]+
MSBNK-Keio_Univ-KO009156
LC-ESI-IT; MS4; m/z: 239/195/150; [M+H]+
MSBNK-Keio_Univ-KO009155
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003907
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003908
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003909
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003910
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003911
Piroxicam
12 spectra
C15H13N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.06268
LC-ESI-IT; MS2; m/z: 332; [M+H]+
MSBNK-Keio_Univ-KO009199
LC-ESI-IT; MS3; m/z: 332/164; [M+H]+
MSBNK-Keio_Univ-KO009200
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003803
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001666
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003804
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001667
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003805
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001668
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003806
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001669
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003807
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001670
Pralidoxime
5 spectra
C7H8N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.06400
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003768
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003769
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003770
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003771
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003772
Prazosin
11 spectra
C19H21N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
383.15936
LC-ESI-IT; MS2; m/z: 384; [M+H]+
MSBNK-Keio_Univ-KO009165
LC-ESI-IT; MS3; m/z: 384/231; [M+H]+
MSBNK-Keio_Univ-KO009170
LC-ESI-IT; MS3; m/z: 384/247; [M+H]+
MSBNK-Keio_Univ-KO009169
LC-ESI-IT; MS3; m/z: 384/316; [M+H]+
MSBNK-Keio_Univ-KO009168
LC-ESI-IT; MS3; m/z: 384/341; [M+H]+
MSBNK-Keio_Univ-KO009167
LC-ESI-IT; MS3; m/z: 384/366; [M+H]+
MSBNK-Keio_Univ-KO009166
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003922
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003923
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003924
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003925
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003926
Primidone
5 spectra
C12H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.10553
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003788
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003789
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003790
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003791
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003792
Procaine
9 spectra
C13H20N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.15248
LC-ESI-IT; MS2; m/z: 237; [M+H]+
MSBNK-Keio_Univ-KO009161
LC-ESI-IT; MS3; m/z: 237/100; [M+H]+
MSBNK-Keio_Univ-KO009164
LC-ESI-IT; MS3; m/z: 237/120; [M+H]+
MSBNK-Keio_Univ-KO009163
LC-ESI-IT; MS3; m/z: 237/164; [M+H]+
MSBNK-Keio_Univ-KO009162
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003917
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003918
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003919
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003920
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003921
Propiconazole
8 spectra
C15H17Cl2N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.06979
LC-ESI-IT; MS2; m/z: 342; [M+H]+
MSBNK-Keio_Univ-KO009255
LC-ESI-IT; MS3; m/z: 342/205; [M+H]+
MSBNK-Keio_Univ-KO009257
LC-ESI-IT; MS3; m/z: 342/273; [M+H]+
MSBNK-Keio_Univ-KO009256
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004221
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004222
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004223
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004224
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004225
Propiolic acid
1 spectrum
C3H2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
70.00548
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001625
Propionic acid
4 spectra
C3H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
74.03678
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001586
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001587
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001588
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001589
Propranolol
10 spectra
C16H21NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
259.15723
LC-ESI-IT; MS2; m/z: 260; [M+H]+
MSBNK-Keio_Univ-KO009171
LC-ESI-IT; MS3; m/z: 260/116; [M+H]+
MSBNK-Keio_Univ-KO009175
LC-ESI-IT; MS3; m/z: 260/157; [M+H]+
MSBNK-Keio_Univ-KO009174
LC-ESI-IT; MS3; m/z: 260/183; [M+H]+
MSBNK-Keio_Univ-KO009173
LC-ESI-IT; MS3; m/z: 260/218; [M+H]+
MSBNK-Keio_Univ-KO009172
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003927
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003928
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003929
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003930
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003931
Propylthiouracil
10 spectra
C7H10N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.05138
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003763
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001641
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003764
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001642
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003765
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001643
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003766
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001644
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003767
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001645
Prostaglandin F2a
5 spectra
C20H34O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.24063
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001656
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001657
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001658
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001659
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001660
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