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Name
Formula / Structure
ExactMass
ID
O-Phosphoethanolamine
5 spectra
C2H8NO4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
141.01909
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000704
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000705
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000706
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000707
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000708
O-Phosphoserine
5 spectra
C3H8NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
185.00893
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003783
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003784
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003785
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003786
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003787
o-Toluic acid
4 spectra
C8H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.05243
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001909
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001910
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001911
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001912
Octanoic acid
2 spectra
C8H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.11504
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000435
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000436
Octopine
15 spectra
C9H18N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.13281
LC-ESI-IT; MS2; m/z: 247; [M+H]+
MSBNK-Keio_Univ-KO009138
LC-ESI-IT; MS3; m/z: 247/130; [M+H]+
MSBNK-Keio_Univ-KO009142
LC-ESI-IT; MS3; m/z: 247/142; [M+H]+
MSBNK-Keio_Univ-KO009141
LC-ESI-IT; MS3; m/z: 247/175; [M+H]+
MSBNK-Keio_Univ-KO009140
LC-ESI-IT; MS3; m/z: 247/188; [M+H]+
MSBNK-Keio_Univ-KO009139
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003652
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001540
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003653
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001541
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003654
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001542
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003655
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001543
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003656
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001544
Octylamine
5 spectra
C8H19N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.15175
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003642
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003643
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003644
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003645
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003646
Oleandomycin
7 spectra
C35H61NO12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
687.41937
LC-ESI-IT; MS2; m/z: 688; [M+H]+
MSBNK-Keio_Univ-KO009136
LC-ESI-IT; MS3; m/z: 688/544; [M+H]+
MSBNK-Keio_Univ-KO009137
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003661
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003662
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003663
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003664
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003665
Orcinol
5 spectra
C7H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
124.05243
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001548
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001549
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001550
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001551
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001552
Orotidine 5'-monophosphate
13 spectra
C10H13N2O11P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.02570
LC-ESI-IT; MS2; m/z: 369; [M+H]+
MSBNK-Keio_Univ-KO009132
LC-ESI-IT; MS3; m/z: 369/213; [M+H]+
MSBNK-Keio_Univ-KO009135
LC-ESI-IT; MS3; m/z: 369/309; [M+H]+
MSBNK-Keio_Univ-KO009134
LC-ESI-IT; MS3; m/z: 369/327; [M+H]+
MSBNK-Keio_Univ-KO009133
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003657
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001558
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003658
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001559
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003659
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001560
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003660
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001561
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001562
Oxamic acid
3 spectra
C2H3NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.01129
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001545
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001546
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001547
p-Anisic acid
5 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000253
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000254
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000255
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000256
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000257
p-Nitroaniline
5 spectra
C6H6N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.04292
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001515
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001516
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001517
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001518
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001519
Palmatine
8 spectra
[C21H22NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.15488
LC-ESI-IT; MS2; m/z: 352; [M+H]+
MSBNK-Keio_Univ-KO009210
LC-ESI-IT; MS3; m/z: 352/308; [M+H]+
MSBNK-Keio_Univ-KO009212
LC-ESI-IT; MS3; m/z: 352/337; [M+H]+
MSBNK-Keio_Univ-KO009211
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003813
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003814
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003815
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003816
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003817
Palmitoleic acid
5 spectra
C16H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.22458
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001626
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001627
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001628
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001629
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001630
Paromomycin
10 spectra
C23H45N5O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
615.29633
LC-ESI-QQ; MS2; CE:10 V; [M+2H]++
MSBNK-Keio_Univ-KO003897
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003892
LC-ESI-QQ; MS2; CE:20 V; [M+2H]++
MSBNK-Keio_Univ-KO003898
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003893
LC-ESI-QQ; MS2; CE:30 V; [M+2H]++
MSBNK-Keio_Univ-KO003899
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003894
LC-ESI-QQ; MS2; CE:40 V; [M+2H]++
MSBNK-Keio_Univ-KO003900
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003895
LC-ESI-QQ; MS2; CE:50 V; [M+2H]++
MSBNK-Keio_Univ-KO003901
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003896
Pelargonic acid
5 spectra
C9H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.13068
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001671
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001672
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001673
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001674
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001675
Penciclovir
7 spectra
C10H15N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.11749
LC-ESI-IT; MS2; m/z: 254; [M+H]+
MSBNK-Keio_Univ-KO009149
LC-ESI-IT; MS3; m/z: 254/152; [M+H]+
MSBNK-Keio_Univ-KO009150
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003902
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003903
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003904
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003905
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003906
Pendimethalin
9 spectra
C13H19N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.13757
LC-ESI-IT; MS2; m/z: 282; [M+H]+
MSBNK-Keio_Univ-KO009157
LC-ESI-IT; MS3; m/z: 282/212; [M+H]+
MSBNK-Keio_Univ-KO009158
LC-ESI-IT; MS4; m/z: 282/212/118; [M+H]+
MSBNK-Keio_Univ-KO009160
LC-ESI-IT; MS4; m/z: 282/212/194; [M+H]+
MSBNK-Keio_Univ-KO009159
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003912
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003913
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003914
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003915
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003916
Pentamidine
8 spectra
C19H24N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.18994
LC-ESI-IT; MS2; m/z: 341; [M+H]+
MSBNK-Keio_Univ-KO009179
LC-ESI-IT; MS3; m/z: 341/324; [M+H]+
MSBNK-Keio_Univ-KO009180
LC-ESI-IT; MS4; m/z: 341/324/188; [M+H]+
MSBNK-Keio_Univ-KO009181
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003937
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003938
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003939
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003940
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003941
Pentanoic acid
5 spectra
C5H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.06808
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001991
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001992
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001993
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001994
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001995
Phenazopyridine
13 spectra
C11H11N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.10146
LC-ESI-IT; MS2; m/z: 214; [M+H]+
MSBNK-Keio_Univ-KO009187
LC-ESI-IT; MS3; m/z: 214/108; [M+H]+
MSBNK-Keio_Univ-KO009192
LC-ESI-IT; MS3; m/z: 214/122; [M+H]+
MSBNK-Keio_Univ-KO009191
LC-ESI-IT; MS3; m/z: 214/141; [M+H]+
MSBNK-Keio_Univ-KO009190
LC-ESI-IT; MS3; m/z: 214/158; [M+H]+
MSBNK-Keio_Univ-KO009189
LC-ESI-IT; MS3; m/z: 214/197; [M+H]+
MSBNK-Keio_Univ-KO009188
LC-ESI-IT; MS3; m/z: 214/77; [M+H]+
MSBNK-Keio_Univ-KO009194
LC-ESI-IT; MS3; m/z: 214/95; [M+H]+
MSBNK-Keio_Univ-KO009193
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003715
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003716
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003717
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003718
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003719
Phenoxyacetic acid
5 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001735
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001736
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001737
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001738
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001739
Phenoxybenzamine
8 spectra
C18H22ClNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.13901
LC-ESI-IT; MS2; m/z: 304; [M+H]+
MSBNK-Keio_Univ-KO009176
LC-ESI-IT; MS3; m/z: 304/120; [M+H]+
MSBNK-Keio_Univ-KO009178
LC-ESI-IT; MS3; m/z: 304/212; [M+H]+
MSBNK-Keio_Univ-KO009177
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003932
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003933
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003934
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003935
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003936
Phenyl phosphate
10 spectra
C6H7O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.00819
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003700
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001610
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003701
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001611
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003702
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001612
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003703
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001613
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003704
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001614
Phenylethylamine
10 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-KO003738
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003793
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003739
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003794
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003740
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003795
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003741
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003796
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003742
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003797
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