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Index Type :
Instrument Type:
LC-ESI-QTOF
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Results :
47,926 Hit.
( 893 - 1,046 Displayed )
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Name
Formula / Structure
ExactMass
ID
1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(6-oxo-7,1...
2 spectra
C43H60N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
684.45020
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80121
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80120
1,2,9,10-tetramethoxy-6,7-dimethyl-5,6-dihydro-4H-...
1 spectrum
C22H25NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
367.17834
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80125
1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibe...
4 spectra
C22H23NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.15762
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00789
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00800
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00811
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80130
1,2-Benzenediol, o-Benzenediol, o-Diphenol, 1,2-di...
2 spectra
C6H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
110.11200
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203940
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203943
1,2-Benzisothiazol-3(2H)-one
31 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00920
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111015873
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111015973
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111015867
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111015971
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111015866
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111015964
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111015868
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111015977
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111015876
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111015966
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111015870
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111015972
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111015969
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111015874
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111015968
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111015872
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111015965
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015871
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015877
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015975
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015978
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111015875
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111015979
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111015864
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111015967
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111015865
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111015970
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111015869
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111015976
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111015863
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111015974
1,2-Benzisothiazolinone
6 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00919
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286201
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286205
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286206
1,2-Di-O-sinapoyl-beta-D-glucose
1 spectrum
C28H32O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
592.17902
LC-ESI-QTOF; MS2; CE:20 eV;
MSBNK-CASMI_2012-SMI00021
1,2-diheptadecanoyl-sn-glycero-3-phosphate
3 spectra
C37H73O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
676.50427
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N107127_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N107126_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N107127_9C9C
1,2-diheptadecanoyl-sn-glycero-3-phosphocholine
9 spectra
C42H84NO8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
761.59351
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N107432_3B51
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107406_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107416_9EE2
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N107432_D0B8
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107406_EF88
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107416_CC60
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N107432_187B
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107406_FB57
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107416_2347
1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamin...
9 spectra
C37H74NO8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
691.51520
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107906_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107918_9EE2
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N107926_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107906_EF88
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107919_CC60
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N107926_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107906_FB57
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107918_2347
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N107926_9C9C
1,2-Dilauroyl-sn-glycero-3-phosphate
1 spectrum
C27H53O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
536.34784
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100783
1,2-dioctanoyl-sn-glycerol
6 spectra
C19H36O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.25629
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N103916_9EE2
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N103912_E098
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N103916_CC60
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N103912_1273
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N103916_2347
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N103912_A098
1,2-Dioleoyl-sn-glycero-3-phosphocholine
9 spectra
C44H84NO8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
785.59351
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N107531_3B51
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107506_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107517_9EE2
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N107531_D0B8
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107506_EF88
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107516_CC60
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N107531_187B
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N107506_FB57
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N107517_2347
1,2-Dipalmitoyl-rac-glycerol
12 spectra
C35H68O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
568.50671
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N103831_3B51
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N103816_9EE2
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-METOX_N103822_E2CE
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N103813_E098
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N103831_D0B8
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N103816_CC60
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-METOX_N103824_02B7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N103813_1273
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N103831_187B
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N103816_2347
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+NH4]+
MSBNK-Antwerp_Univ-METOX_N103823_D7C8
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N103814_A098
1,2-dipentadecanoyl-sn-glycero-3-phospho-(1-sn-gly...
3 spectra
C36H71O10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
694.47852
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108226_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108226_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108226_9C9C
1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine...
2 spectra
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.19400
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100450
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100453
1,3-Bis(2-methylphenyl)urea
16 spectra
C15H16N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.12630
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111015750
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111015748
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111015740
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111015746
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111015745
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111015739
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111015741
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111015735
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111015737
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015738
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015744
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111015749
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111015742
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111015747
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111015736
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111015743
1,3-Dicyclohexylurea
16 spectra
C13H24N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.18890
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111014756
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111014767
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111014768
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111014771
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111014763
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111014766
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111014759
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111014760
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111014769
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111014758
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111014770
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111014761
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111014757
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111014765
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111014762
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111014764
1,3-Dihydroxyacetone dimer
1 spectrum
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06339
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100844
1,3-dihydroxypropan-2-yl dihydrogen phosphate, Gly...
1 spectrum
C3H9O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.07500
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT207830
1,3-Dimethyl-2-imidazolidinon
5 spectra
C5H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.07932
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU223101
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU223102
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU223107
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU223108
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU223109
1,3-Dimethyl-2-imidazolidinone
2 spectra
C5H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.07932
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248602
1,3-dimethyl-7,9-dihydropurine-2,6,8-trione, 1,3-D...
3 spectra
C7H8N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.16600
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110290
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210290
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210293
1,3-Dimethyluric acid
3 spectra
C7H8N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.05965
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100869
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100413
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100868
1,3-Diphenylguanidine
6 spectra
C13H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.11095
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248705
LC-ESI-QTOF; MS2; CE: Ramp 18.4-27.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248706
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