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Name
Formula / Structure
ExactMass
ID
Aconitine
13 spectra
C34H47NO11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
645.74597
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300718
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300727
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300732
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300736
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300741
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300746
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300751
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300756
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300760
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300764
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300768
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310652
Adenine
5 spectra
C5H5N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.05450
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010097
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100020
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100492
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100018
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100491
Adenosine
5 spectra
C10H13N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.09674
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010098
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100022
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100021
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101050
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100493
Adenosine (not validated)
1 spectrum
C10H13N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.24500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310808
Adenosine + C2H5S
1 spectrum
C11H15N5O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.33801
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310810
Adenosine 3'-monophosphate
2 spectra
C10H14N5O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
347.06308
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100446
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100898
Adenosine 5'-diphospho-glucose
3 spectra
C16H25N5O15P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
589.08221
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100103
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100102
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100532
ADP
1 spectrum
C10H15N5O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.02942
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100514
Agmatine
2 spectra
C5H14N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.12186
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100066
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100307
Ajmaline
13 spectra
C20H26N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.44000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301033
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301038
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301043
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301048
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301053
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301058
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301063
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301068
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301073
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301078
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301083
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301088
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310580
Ajoene (not validated)
1 spectrum
C9H14OS3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
234.40500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311164
Alanylleucine (isomer of 674)
1 spectrum
C9H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.25400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311068
Alanylleucine (isomer of 675)
1 spectrum
C9H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.25400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311067
Alanylphenylalanine
1 spectrum
C12H16N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.27100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311050
all-trans-Retinoic acid
1 spectrum
C20H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.20892
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100470
Allantoin
3 spectra
C4H6N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.04399
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010136
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010137
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100104
Allicin (not validated)
1 spectrum
C6H10OS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.27499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311159
Allicin + 2H (not validated, isomer of 327)
1 spectrum
C6H12OS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.29100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311162
Allicin + 2H (not validated, isomer of 328)
1 spectrum
C6H12OS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.29100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311161
Allicin + 4H (not validated)
1 spectrum
C6H14OS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.30701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311163
Allysine (not validated)
1 spectrum
C6H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.15800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311149
Aloe-emodin
24 spectra
C15H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.23999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302863
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302869
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302875
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302881
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302887
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302893
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302899
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302905
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302911
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302917
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302923
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302929
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306553
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306559
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306565
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306571
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306577
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306583
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306589
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306594
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306605
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306610
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306615
alpha,beta-Dihydroresveratrol
36 spectra
C14H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.26300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304180
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304182
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304184
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304186
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304188
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304190
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304192
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304194
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304196
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304198
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304202
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308227
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308228
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308230
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308231
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308233
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308234
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308236
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308238
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308239
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308241
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308242
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308244
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308245
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308247
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308248
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308250
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308251
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308253
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308254
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308256
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308257
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308259
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308260
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308719
alpha-Chaconine
32 spectra
C45H73NO14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
852.07202
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301354
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301358
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301362
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301366
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301370
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301374
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301378
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301382
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301386
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301390
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301394
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301398
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305091
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305092
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305093
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305094
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305095
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305096
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305097
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305098
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305099
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305102
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305103
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305104
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305105
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305106
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305107
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308982
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309423
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310711
alpha-D-(+)-mannose 1-phosphate
1 spectrum
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100697
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