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34,643 Hit.
( 3,585 - 3,664 Displayed )
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Name
Formula / Structure
ExactMass
ID
3-Ara-28-Glu Hederagenin (NMR)
2 spectra
C41H66O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
766.45032
LC-ESI-QTOF; MS
MSBNK-BS-BS001153
LC-ESI-QTOF; MS2; CE:49 eV; [M-H]-
MSBNK-BS-BS001154
3-Ara-GlcUA Soyasapogenol B
2 spectra
C41H66O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
766.45032
LC-ESI-QTOF; MS
MSBNK-BS-BS003868
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003867
3-Carboxy-3-hydroxy-4-methylpentanoate, 3-Carboxy-...
1 spectrum
C7H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.16800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206820
3-Carboxy-3-hydroxy-4-methylpentanoate, 3-Carboxy-...
2 spectra
C7H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.16800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068208
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
1 spectrum
C12H16O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.09978
LC-ESI-IT; MS2; m/z: 239.1; [M-H]-
MSBNK-Metabolon-MT000094
3-chloro-2-hydroxypropane-1-sulfonate
6 spectra
C3H7ClO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.97540
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU030951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU030952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU030953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU030954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU030955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU030956
3-Chloro-5-(trifluoromethyl)pyridin-2-ol
16 spectra
C6H3ClF3NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.98550
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111010962
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111010959
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111010961
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111010972
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111010970
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111010973
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111010967
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111010969
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111010968
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010958
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010960
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111010963
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111010971
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111010966
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111010964
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111010965
3-Chloro-7-hydroxy-4-methyl-2-benzopyrone
3 spectra
C10H7ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.00838
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001438
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001439
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001434
3-Chloro-L-tyrosine
1 spectrum
C9H10ClNO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.03493
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100882
3-Cholic acid
3 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28760
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP030111
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP030112
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP030113
3-coumaric acid
1 spectrum
C9H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.04730
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML001251
3-Coumaric Acid, m-Coumaric Acid, m-Hydroxycinnami...
3 spectra
C9H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.16000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS076307
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS076308
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS076309
3-Dehydrocholic acid
3 spectra
C24H38O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.27191
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP030211
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP030212
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP030213
3-Desmethyltrimethoprim
3 spectra
C13H16N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.12225
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154351
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154352
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ01154354
3-Dimethylaminophenol
2 spectra
C8H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.08406
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001623
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001622
3-Ethoxybenzoic acid
5 spectra
C9H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.06299
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000729
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000730
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000731
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000732
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000733
3-Ethylphenol
6 spectra
C8H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
122.07320
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU045151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU045152
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU045153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU045154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU045155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU045156
3-Fluorobenzoic acid
5 spectra
C7H5FO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
140.02736
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000794
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000795
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000796
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000797
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000798
3-formyl Rifamycin SV
1 spectrum
C38H47NO13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
725.30475
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80371
3-Gal(1-2)GluA Soyasapogenol B (NMR)
2 spectra
C42H68O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
796.46088
LC-ESI-QTOF; MS2; CE:48 eV; [M-H]-
MSBNK-BS-BS001122
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS001121
3-Glc(1-2)Glc(1-2)Glc-28-Api(1-3)Xyl(1-4)[Api(1-3)...
2 spectra
C74H118O42
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1678.70984
LC-ESI-QTOF; MS
MSBNK-BS-BS001222
LC-ESI-QTOF; MS2; CE:105 eV; [M-H]-
MSBNK-BS-BS001223
3-Glc-Gal-GlcUA-Soyasapogenol B
6 spectra
C48H78O19
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
958.51367
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003412
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003411
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003414
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003410
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003413
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003415
3-GlcA-22-(Glc(1-4)DDMP Soyasapogenol B (NMR)
1 spectrum
C48H74O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
922.49261
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS001195
3-GlcA-28-Glc oleanolic acid (NMR)
2 spectra
C42H66O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
794.44531
LC-ESI-QTOF; MS2; CE:48 eV; [M-H]-
MSBNK-BS-BS001194
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS001193
3-GlcA-28-Glc-4-Epi Hederagenin (NMR)
1 spectrum
C42H66O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
810.44019
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS001192
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