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Name
Formula / Structure
ExactMass
ID
3-Methyladenine
3 spectra
C6H7N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.07014
GC-EI-TOF; MS; 1 TMS; BP:206
MSBNK-RIKEN-PR010205
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100062
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100061
3-Methylxanthine
2 spectra
C6H6N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.04909
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100415
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100871
4-(Methylsulfinyl)but-3-enylglucosinolate
1 spectrum
C12H21NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
435.03275
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K]+
MSBNK-RIKEN-PR100431
4-Aminoantipyrin
13 spectra
C11H13N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.24500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301635
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301638
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301641
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301644
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301647
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301649
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301652
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301654
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301657
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301660
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301663
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301666
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310426
4-Aminobenzoic acid
1 spectrum
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.04768
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100063
4-Coumaric acid
4 spectra
C9H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.04733
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100895
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100261
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100685
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100894
4-Deoxyphloridzin
25 spectra
C21H24O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
420.14203
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020023
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305848
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305849
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305855
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305856
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305862
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305863
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305868
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305869
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305874
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305875
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305881
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305882
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305888
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305894
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305899
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305900
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305906
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305907
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305913
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305914
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305919
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305920
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308810
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308811
4-Hydroxybenzoic acid
4 spectra
C7H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.03169
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010226
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100187
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100417
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100596
4-Hydroxybenzyl alcohol
1 spectrum
C7H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
124.05243
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010092
4-Hydroxycinnamic acid
1 spectrum
C9H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.16000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309365
4-Hydroxyphenylacetic acid
1 spectrum
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010008
4-Hydroxyphenylpyruvic acid
1 spectrum
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04227
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010083
4-Hydroxyquinoline
20 spectra
C9H7NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.16100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300769
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300774
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300779
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300784
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300789
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300794
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300804
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300809
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300814
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300819
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300824
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304866
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304867
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304868
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304869
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304870
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304871
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308729
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310424
4-Methoxycinnamic acid
18 spectra
C10H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.18700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305694
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305708
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305715
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305728
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305735
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305742
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305749
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305755
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305762
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305769
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308809
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040237
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040234
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H-H2O]+
MSBNK-RIKEN-PR040236
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040235
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040233
4-Methyl-5-thiazoleethanol
2 spectra
C6H9NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.04048
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100301
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100300
4-Methylpentyl glucosinolate
1 spectrum
C13H25NO9S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.47101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309207
4-Methylsulfinylbutyl glucosinolate
3 spectra
C12H23NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
437.04840
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020024
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K]+
MSBNK-RIKEN-PR100430
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100950
4-Methylthiobutyl glucosinolate
14 spectra
C12H23NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.05350
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020025
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307172
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307176
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307180
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307184
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307187
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307191
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307195
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307203
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307207
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307211
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307215
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100949
4-Methylumbelliferone
7 spectra
C10H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.04733
GC-EI-TOF; MS; 1 TMS; BP:233
MSBNK-RIKEN-PR010104
GC-EI-TOF; MS; BP:233
MSBNK-RIKEN-PR010093
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100503
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100013
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100039
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100489
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100502
4-Nitrophenol
2 spectra
C6H5NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.02695
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100192
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100598
4-Nitrophenyl phosphate
4 spectra
C6H6NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.99327
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100600
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100193
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100599
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100750
4-Pyridoxic acid
3 spectra
C8H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.05316
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100419
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100418
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100876
5'-S-Methylthioadenosine
2 spectra
C11H15N5O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.08957
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100311
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100743
5(S)-5-carboxystrictosidine
25 spectra
C28H34N2O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
574.58301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300240
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300245
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300250
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300255
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300260
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300265
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300270
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300275
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300285
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300290
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300295
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304595
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304603
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304607
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304611
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304615
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304621
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304625
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304629
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304633
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304637
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308715
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310410
5,6-Dihydrouracil
2 spectra
C4H6N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.04293
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010148
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100394
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