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Name
Formula / Structure
ExactMass
ID
Fucoxanthin
3 spectra
C42H58O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
658.42328
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00127
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 10 V
MSBNK-MSSJ-MSJ00146
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 30 V
MSBNK-MSSJ-MSJ00147
Fumaric acid
4 spectra
C4H4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.01096
GC-EI-Q; MS; POSITIVE; 2 TBDMS-derivative
MSBNK-MSSJ-MSJ00711
GC-EI-Q; MS; POSITIVE; 2 TMS-derivative
MSBNK-MSSJ-MSJ00692
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00763
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00730
Fumaric acid-[1,2,3,4-13C4]
4 spectra
C4H4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.01096
GC-EI-Q; MS; POSITIVE; 2 TBDMS-derivative
MSBNK-MSSJ-MSJ00712
GC-EI-Q; MS; POSITIVE; 2 TMS-derivative
MSBNK-MSSJ-MSJ00693
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00764
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00731
gamma,gamma-Carotene
1 spectrum
C40H56
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
536.43817
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; COLLISION_ENERGY 20 V
MSBNK-MSSJ-MSJ00142
gamma-BHC
1 spectrum
C6H6Cl6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.86008
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01058
gamma-Carotene
1 spectrum
C40H56
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
536.43817
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; COLLISION_ENERGY 20 V
MSBNK-MSSJ-MSJ00141
Genistein
14 spectra
C15H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.05283
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00973
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00974
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00975
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00976
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00977
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00978
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00966
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00967
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00968
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00969
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00970
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00971
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00972
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00965
Genistin
14 spectra
C21H20O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.10565
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00959
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00960
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00961
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00962
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00963
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00964
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00952
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00953
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00954
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00955
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00956
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00957
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00958
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00951
Glc4
10 spectra
C24H42O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
666.22186
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 10 eV
MSBNK-MSSJ-MSJ02401
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 15 eV
MSBNK-MSSJ-MSJ02402
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 20 eV
MSBNK-MSSJ-MSJ02403
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 30 eV
MSBNK-MSSJ-MSJ02404
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 40 eV
MSBNK-MSSJ-MSJ02405
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 10 eV
MSBNK-MSSJ-MSJ02396
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 20 eV
MSBNK-MSSJ-MSJ02397
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 30 eV
MSBNK-MSSJ-MSJ02398
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 40 eV
MSBNK-MSSJ-MSJ02399
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 50 eV
MSBNK-MSSJ-MSJ02400
GlcNAcAsn
8 spectra
C12H21N3O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
335.13287
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 10 eV
MSBNK-MSSJ-MSJ02410
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 15 eV
MSBNK-MSSJ-MSJ02411
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 20 eV
MSBNK-MSSJ-MSJ02412
ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 30 eV
MSBNK-MSSJ-MSJ02413
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 10 eV
MSBNK-MSSJ-MSJ02406
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 15 eV
MSBNK-MSSJ-MSJ02407
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 20 eV
MSBNK-MSSJ-MSJ02408
ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 30 eV
MSBNK-MSSJ-MSJ02409
Glycerol
2 spectra
C3H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
92.04734
FAB-BE; MS; Negative; Matrix Glycerol
MSBNK-MSSJ-MSJ00059
FAB-BE; MS; Positive; Matrix Glycerol
MSBNK-MSSJ-MSJ00060
Glycitein
14 spectra
C16H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.06848
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ02029
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ02030
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ02031
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ02032
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ02033
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ02034
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ02022
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ02023
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ02024
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ02025
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ02026
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ02027
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ02028
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02021
Glycitin
14 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.12131
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ02015
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ02016
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ02017
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ02018
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ02019
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ02020
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ02008
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ02009
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ02010
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ02011
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ02012
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ02013
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ02014
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02007
Halocynthiaxanthin
2 spectra
C40H54O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
598.40222
LC-ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; CE 20 V
MSBNK-MSSJ-MSJ00210
LC-ESI-QTOF; MS; POSITIVE; ESI
MSBNK-MSSJ-MSJ00209
Hexaflumuron
16 spectra
C16H8Cl2F6N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
459.98163
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]- Isotopolog ion; CE 20 V
MSBNK-MSSJ-MSJ02260
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02254
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02255
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02256
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02257
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02258
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02259
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+ Isotopolog ion; CE 20 V
MSBNK-MSSJ-MSJ02252
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02246
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02247
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02248
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02249
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02250
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02251
LC-ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02253
LC-ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02245
Imazalil
1 spectrum
C14H14Cl2N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.04831
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01105
Imazosulfuron
8 spectra
C14H13ClN6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
412.03571
ESI-QTOF; MS2; NEGATIVE; [M-H]-; 37Cl-isotopolog ion; CID; 30 V
MSBNK-MSSJ-MSJ00248
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00242
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00243
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00244
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00245
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00246
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSBNK-MSSJ-MSJ00247
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00241
Imidazol C-Nucleoside Phosphramidite-1
1 spectrum
C50H71N4O9PSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
930.47278
SI-BE; MS; POSITIVE
MSBNK-MSSJ-MSJ00083
Inabenfide
1 spectrum
C19H15ClN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.08221
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01095
Indoxyl sulfate
6 spectra
C8H7NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.00958
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00357
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00358
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00359
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00360
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00361
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00356
Iprodione
1 spectrum
C13H13Cl2N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.03339
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01098
Isofenphos
1 spectrum
C15H24NO4PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
345.11636
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01089
Isoprocarb
1 spectrum
C11H15NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
193.11028
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01091
Isoprothiolane
3 spectra
C12H18O4S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.06464
ESI-ITFT; MS2; [M+H]+
MSBNK-MSSJ-MSJ00010
ESI-ITFT; MS; Positive
MSBNK-MSSJ-MSJ00009
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01092
Isoproturon
1 spectrum
C12H18N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.14191
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01094
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