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Compound Name:
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7,842 Hit.
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Name
Formula / Structure
ExactMass
ID
D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-...
8 spectra
C6H15O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
262.15302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079209
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079210
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079211
D-sphingosine
3 spectra
C18H37NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.28241
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP014701
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP014702
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP014703
D-Tagatose
2 spectra
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06339
GC-EI-TOF; MS; n TMS; RT:702.481 sec
MSBNK-Osaka_Univ-OUF00218
GC-EI-TOF; MS; n TMS; RT:710.731 sec
MSBNK-Osaka_Univ-OUF00217
D-Tartaric acid
1 spectrum
C4H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.01643
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100880
D-tartaric acid, (2S,3S)-2,3-dihydroxybutanedioic ...
1 spectrum
C4H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.08600
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210520
D-tartaric acid, 2,3-Dihydroxybutanedioic Acid, D-...
1 spectrum
C4H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.08600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS105207
D-Threitol
2 spectra
C4H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
122.05791
EI-B; MS; 4 TMS; RT: 588.70 s
MSBNK-GL_Sciences_Inc-GLS00167
GC-EI-TOF; MS; n TMS; RT:543.294 sec
MSBNK-Osaka_Univ-OUF00471
D-threo-Pentulose, Xul, D-Xylulose, D-Lyxulose
3 spectra
C5H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.13000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS022501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS022502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS022503
D-Threo-tetrose, (3S,4R)-oxolane-2,3,4-triol, D(-)...
1 spectrum
C4H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.10400
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112020
D-Threo-tetrose, D(-)-Threose, D-threo-Aldose
1 spectrum
C4H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.10400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS120201
D-Vitamin BT, (3S)-3-hydroxy-4-trimethylazaniumylb...
2 spectra
C7H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.20100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102050
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102053
D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobut...
5 spectra
C7H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.20100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020505
D-xylo-Hexulose, Sor, D-(+)-Sorbose
1 spectrum
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.15601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS053807
D-Xylulose
6 spectra
C5H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.05283
EI-B; MS; 4 TMS; RT: 682.63 s
MSBNK-GL_Sciences_Inc-GLS00177
GC-EI-TOF; MS; 4 TMS; 1 MEOX; BP:73
MSBNK-RIKEN-PR010054
GC-EI-TOF; MS; 4 TMS; BP:147
MSBNK-Kazusa-KZ000026
GC-EI-TOF; MS; 4 TMS; BP:147
MSBNK-Kazusa-KZ000131
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-Kazusa-KZ000130
GC-EI-TOF; MS; n TMS; RT:627.950 sec
MSBNK-Osaka_Univ-OUF00220
D617
19 spectra
C17H26N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.19940
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA263708
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA263702
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA263709
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA263703
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA263714
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA263701
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA263710
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA263704
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA263711
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA263705
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA263712
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA263706
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA263713
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA263707
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU204501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU204502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU204503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU204504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU204505
Dacarbazine
13 spectra
C6H10N6O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.09160
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311108446
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311108448
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311108449
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311108450
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311108455
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311108456
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108451
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108454
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311108452
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311108458
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311108457
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311108447
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311108453
Daidzein
157 spectra
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.05791
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00927
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00928
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00929
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00930
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00931
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00932
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00920
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00921
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00922
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00923
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00924
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00925
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00926
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00919
GC-EI-TOF; MS; n TMS; RT:1078.841 sec
MSBNK-Osaka_Univ-OUF00155
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000100
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000042
LC-APPI-QQ; MS
MSBNK-PFOS_research_group-FFF00076
LC-APPI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-PFOS_research_group-FFF00075
LC-APPI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-PFOS_research_group-FFF00074
LC-APPI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-PFOS_research_group-FFF00073
LC-APPI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-PFOS_research_group-FFF00072
LC-APPI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-PFOS_research_group-FFF00071
LC-APPI-QQ; MS2; CE:60 V; [M+H]+
MSBNK-PFOS_research_group-FFF00070
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002496
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003637
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003638
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000032
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000034
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002497
LC-ESI-ITFT; MS2; CE: 160%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000031
LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000033
LC-ESI-ITFT; MS2; CE: 180%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000035
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002498
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002499
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002500
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002889
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF416303
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF423903
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF416353
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF423953
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002890
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002891
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002892
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002893
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF416301
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF416304
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF423901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF423904
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF416351
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF416354
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF423951
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF423954
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003264
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003265
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003266
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003267
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003268
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF416302
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF423902
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF416352
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF423952
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003634
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003635
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003636
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM882802
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM882851
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000171
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000239
LC-ESI-QTOF; MS
MSBNK-BS-BS003042
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020020
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302625
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302631
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302637
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302643
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302649
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302655
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302661
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302667
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302673
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302679
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302685
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302691
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306284
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306291
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306305
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306311
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306318
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306324
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306331
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306338
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306345
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306352
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306359
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309180
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310855
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092160
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111010441
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311092161
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111010444
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311092157
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111010443
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311092168
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111010446
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311092162
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111010456
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311092166
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111010445
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311092156
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111010453
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092164
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111010448
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092159
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111010451
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092158
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092167
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010450
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010454
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092169
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111010442
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092163
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111010449
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092170
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111010452
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311092165
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111010455
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311092155
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111010447
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU287401
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP018101
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP018111
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU287402
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP018102
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP018112
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU287403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU287404
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP018103
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP018113
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU287405
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU287406
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB000821
LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
MSBNK-IPB_Halle-PB002425
LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB000841
LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
MSBNK-IPB_Halle-PB002426
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-RIKEN-PR040009
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-RIKEN-PR040008
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100638
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-IPB_Halle-PB000842
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-IPB_Halle-PB002427
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003043
LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
MSBNK-IPB_Halle-PB000861
LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
MSBNK-IPB_Halle-PB002428
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
MSBNK-RIKEN-PR040010
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M-H]-
MSBNK-RIKEN-PR040007
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100225
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100637
Daidzein-8-C-glucoside
26 spectra
C21H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.38199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302151
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302156
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302161
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302166
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302171
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302176
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302181
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302186
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302191
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302196
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302206
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305771
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305778
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305785
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305790
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305796
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305803
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305809
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305815
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305820
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305827
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305834
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305840
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309429
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310881
Daidzin
24 spectra
C21H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.11072
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00913
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00914
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00915
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00916
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00917
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00918
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00912
LC-ESI-QTOF; MS
MSBNK-BS-BS003832
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020022
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003834
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003833
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003830
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040209
LC-ESI-QTOF; MS2; CE:30 V; [M-H-C6H10O5]-
MSBNK-RIKEN-PR040206
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040205
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003835
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003831
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-
MSBNK-RIKEN-PR040204
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040207
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100257
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+HCOO]-
MSBNK-RIKEN-PR040203
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
MSBNK-RIKEN-PR040208
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040202
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100680
DAMGO
8 spectra
C26H35N5O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
513.25873
LC-ESI-IT; MS2; m/z: 514; [M+H]+
MSBNK-Keio_Univ-KO008836
LC-ESI-IT; MS3; m/z: 514/453; [M+H]+
MSBNK-Keio_Univ-KO008837
LC-ESI-IT; MS4; m/z: 514/453/290; [M+H]+
MSBNK-Keio_Univ-KO008838
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002398
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002399
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002400
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002401
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002402
Daminozide
23 spectra
C6H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.08479
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA293801AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA293803B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA293805070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA293811C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA293813D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2938155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2938213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2938237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA293825AF82PH
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002796
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000694
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002797
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000695
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002798
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000696
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002799
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000697
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002800
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000698
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU262901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU262902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU262903
LC-ESI-QTOF; MS2; CE: Ramp 16.6-24.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU262906
Danazol
6 spectra
C22H27NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
337.20419
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU025301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU025302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU025303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU025304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU025305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU025306
Danofloxacin
12 spectra
C19H20FN3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
357.14886
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ366407
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ366408
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ366401
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ366409
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ366402
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ366403
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ366404
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ366405
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ366406
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU102704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU102705
LC-ESI-QTOF; MS2; CE: Ramp 22.8-34.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU102701
Dantrolene
6 spectra
C14H10N4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.06509
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU099251
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU099252
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU099253
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU099254
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU099255
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU099256
Daphnetin
58 spectra
C9H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.02660
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000836
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001724
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001849
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001967
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002083
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001726
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001851
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001969
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002085
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001728
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001853
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001971
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002087
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000837
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000961
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000838
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000962
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000839
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000963
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000840
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000964
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000965
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001091
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001090
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001218
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001093
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001217
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001092
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001220
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001219
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001345
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001470
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001094
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001605
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001221
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001347
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001472
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001344
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001469
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001607
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001604
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001725
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001346
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001471
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001850
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001968
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002084
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001606
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001727
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001348
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001473
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001852
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001970
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002086
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001608
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100937
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100473
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100936
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