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96,350 Hit.
( 1,472 - 1,594 Displayed )
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Name
Formula / Structure
ExactMass
ID
1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hex...
6 spectra
C16H34O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.44601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074604
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074605
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074606
1,1`-Disulfanediyldiazepan-2-one
6 spectra
C12H20N2O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.09659
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU050301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU050302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU050303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU050304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU050305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU050306
1,2,2,6,6-Pentamethylpiperidin-4-ol
3 spectra
C10H21NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
171.16231
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000076
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000077
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000078
1,2,3,4-Butanetetracarboxylic acid
3 spectra
C8H10O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
234.03757
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001410
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001411
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001412
1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydro...
1 spectrum
C6H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
127.14300
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202610
1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydro...
5 spectra
C6H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
127.14300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026106
1,2,3-Benzotriazole
12 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04830
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU063401
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU063451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU063402
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU063452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU063403
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU063453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU063404
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU063454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU063405
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU063455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU063406
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU063456
1,2,3-Hexanetriol
2 spectra
C6H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.09430
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002175
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002176
1,2,3-Propanetriol, Trihydroxypropane, Glycyl alco...
3 spectra
C3H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
92.09400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004805
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004807
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004808
1,2,3-Triazole
1 spectrum
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM800003
1,2,3-trimethoxybenzene
8 spectra
C9H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.07860
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311108820
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311108818
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311108817
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108815
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108822
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311108816
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311108819
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311108821
1,2,4-Benzenetricarboxylic acid
6 spectra
C9H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.01643
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001869
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001868
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001870
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001871
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001866
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001867
1,2,4-Butanetriol
1 spectrum
C4H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
106.06300
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002474
1,2,4-Triazole
1 spectrum
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
LC-ESI-QTOF; MS2; CE: Ramp 14.4-21.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU279306
1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(2-piperid...
2 spectra
C39H61NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
623.45496
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00012
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00025
1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibe...
3 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
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-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039402
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
34 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00920
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW105803
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW105802
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW105804
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-Benzisothiazolin-3-one
3 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00920
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU033001
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU033005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU033006
1,2-Benzisothiazolinone
9 spectra
C7H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.00919
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0200213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0200237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA020025AF82PH
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-bis(2-methoxyethoxy)ethane
3 spectra
C8H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.12050
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW108903
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW108902
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW108904
1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)etha...
3 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.12131
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00197
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 25 V
MSBNK-MSSJ-MSJ00198
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00199
1,2-Cyclohexanediamine
3 spectra
C6H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.11570
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000084
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000083
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000082
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
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