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Name
Formula / Structure
ExactMass
ID
Daidzein
14 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
Daidzin
7 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
Dehydroeburicoic acid
14 spectra
C31H48O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
468.36035
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00440
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00441
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00442
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00443
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00444
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00445
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00433
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00434
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00435
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00436
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00437
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00438
ESI-QTOF; MS; NEGAIVE
MSBNK-MSSJ-MSJ00439
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00432
delta-BHC
1 spectrum
C6H6Cl6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.86008
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01059
Demethoxycurcumin
2 spectra
C20H18O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.11542
ESI-ITTOF; MS2; [M-H]-
MSBNK-MSSJ-MSJ00020
ESI-ITTOF; MS; Negative
MSBNK-MSSJ-MSJ00019
DHA
1 spectrum
C22H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.24023
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00049
DHA-[21,21,22,22,22-d5]
1 spectrum
C22H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.24023
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00050
Diadinochrome
1 spectrum
C40H54O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
582.40729
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00208
Diallate
8 spectra
C10H17Cl2NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
269.04080
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+ Isotopolog ion; CE 20 V
MSBNK-MSSJ-MSJ02275
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02269
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02270
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02271
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02272
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02273
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02274
LC-ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02268
Diatoxanthin
2 spectra
C40H54O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
566.41241
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00128
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 70 V
MSBNK-MSSJ-MSJ00129
Dicyclohexylurea
3 spectra
C13H24N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.18890
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 kV
MSBNK-MSSJ-MSJ00194
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 35 V
MSBNK-MSSJ-MSJ00195
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00193
Diethanolamine
2 spectra
C4H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
105.07898
FAB-BE; MS; Negative; Matrix Diethanolamine
MSBNK-MSSJ-MSJ00063
FAB-BE; MS; Positive; Matrix Diethanolamine
MSBNK-MSSJ-MSJ00064
Dihydrochalcone
2 spectra
C15H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.10448
ESI-ITFT; MS2; [M+H]+
MSBNK-MSSJ-MSJ00008
ESI-ITFT; MS; Positive
MSBNK-MSSJ-MSJ00007
Dimethametryn
7 spectra
C11H21N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.15179
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00212
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00213
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00214
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00215
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00216
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 80 V
MSBNK-MSSJ-MSJ00217
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00211
Diphenylguanidine
14 spectra
C13H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.11093
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02128
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02129
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02130
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02131
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02132
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02133
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02121
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02122
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02123
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02124
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02125
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02126
ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02127
ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02120
Ditolylguanidine
14 spectra
C15H17N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
239.14224
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02142
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02143
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02144
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02145
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02146
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02147
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02135
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02136
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02137
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02138
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02139
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02140
ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02141
ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02134
Eburicoic acid
14 spectra
C31H50O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
470.37601
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00317
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00318
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00319
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00320
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00321
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00322
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00310
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00311
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00312
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00313
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00314
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00315
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00316
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00309
Echinenone
1 spectrum
C40H54O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
550.41748
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00126
EPA
1 spectrum
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00051
EPN
1 spectrum
C14H14NO4PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.03812
GC-EI-Q; MS
MSBNK-MSSJ-MSJ01040
EPN-oxon
1 spectrum
C14H14NO5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.06097
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01041
EPTC
1 spectrum
C9H19NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.11873
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01042
Ethidium
3 spectra
[C21H20N3]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.16516
ESI-QQ; MS2; [M]+, CID, CE 25 V
MSBNK-MSSJ-MSJ01509
ESI-QQ; MS2; [M]+, CID, CE 30 V
MSBNK-MSSJ-MSJ01508
ESI-QQ; MS2; [M]+, CID, CE 40 V
MSBNK-MSSJ-MSJ01507
Feruloylputrescine
2 spectra
C14H20N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.14740
LC-ESI-ITTOF; MS2; [M+H]+
MSBNK-MSSJ-MSJ00004
LC-ESI-ITTOF; MS; Positive
MSBNK-MSSJ-MSJ00003
Feruloyltyramine
2 spectra
C18H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.13141
LC-ESI-ITTOF; MS2; [M+H]+
MSBNK-MSSJ-MSJ00002
LC-ESI-ITTOF; MS; Positive
MSBNK-MSSJ-MSJ00001
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