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34,643 Hit.
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Name
Formula / Structure
ExactMass
ID
4-Iodophenol
3 spectra
C6H5IO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.93851
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002497
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002496
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002495
4-Iodphenol
1 spectrum
C6H5IO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.93851
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM805752
4-Isopropylbenzenesulfonic acid
3 spectra
C9H12O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.05072
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000008
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000007
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000009
4-Malonyl ononin (NMR)
1 spectrum
C25H24O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
516.12677
LC-ESI-QTOF; MS2; CE:24 eV; [M-H]-
MSBNK-BS-BS001173
4-Methoxy-3-indolylmethyl glucosinolate
18 spectra
C17H22N2O10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.07159
LC-ESI-ITFT; MS2; HCD; CE 10.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000541
LC-ESI-ITFT; MS2; HCD; CE 15.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000532
LC-ESI-ITFT; MS2; HCD; CE 20.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000536
LC-ESI-ITFT; MS2; HCD; CE 25.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000533
LC-ESI-ITFT; MS2; HCD; CE 30.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000537
LC-ESI-ITFT; MS2; HCD; CE 35.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000535
LC-ESI-ITFT; MS2; HCD; CE 40.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000539
LC-ESI-ITFT; MS2; HCD; CE 45.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000538
LC-ESI-ITFT; MS2; HCD; CE 5.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000534
LC-ESI-ITFT; MS2; HCD; CE 50.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000540
LC-ESI-ITFT; MS2; HCD; CE 55.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000529
LC-ESI-ITFT; MS2; HCD; CE 60.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000526
LC-ESI-ITFT; MS2; HCD; CE 65.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000524
LC-ESI-ITFT; MS2; HCD; CE 70.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000531
LC-ESI-ITFT; MS2; HCD; CE 75.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000528
LC-ESI-ITFT; MS2; HCD; CE 80.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000527
LC-ESI-ITFT; MS2; HCD; CE 85.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000530
LC-ESI-ITFT; MS2; HCD; CE 90.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000525
4-Methoxycinnamic acid
15 spectra
C10H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.18700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305694
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305708
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305715
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305728
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305735
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305742
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305749
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305755
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305762
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305769
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308809
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040234
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040233
4-Methoxyphenol
1 spectrum
C7H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
124.05240
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108238
4-Methyl-1H-benzotriazole
3 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000025
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000220
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111018941
4-Methyl-2-nitroaniline
3 spectra
C7H8N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.05858
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000317
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000316
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000318
4-Methyl-2-nitrophenol
1 spectrum
C7H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.04260
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000004
4-methyl-2-nitrophenol
1 spectrum
C7H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.04260
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA003605
4-methyl-2-oxopentanoic acid
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06300
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML001951
4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid...
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.14301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS006207
4-Methylbenzoic acid
4 spectra
C8H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.05243
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001348
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001349
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001350
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001351
4-Methylbenzotriazole
3 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QTOF; MS2; CE: 10.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00045
LC-ESI-QTOF; MS2; CE: 20.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00046
LC-ESI-QTOF; MS2; CE: 40.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00047
4-Methylpentanoic acid
3 spectra
C6H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.08373
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001404
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001405
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001406
4-Methylpentyl glucosinolate
1 spectrum
C13H25NO9S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.47101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309207
4-Methylsulfinylbutyl glucosinolate
2 spectra
C12H23NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
437.04840
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020024
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100950
4-Methylthiobutyl glucosinolate
14 spectra
C12H23NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.05350
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020025
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307172
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307176
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307180
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307184
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307187
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307191
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307195
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307203
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307207
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307211
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307215
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100949
4-Methylumbelliferone
5 spectra
C10H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.04730
LC-ESI-QTOF; MS
MSBNK-BS-BS003115
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003114
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100503
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100489
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100502
4-Methylumbelliferone, Cholestil, beta-Methylumbel...
3 spectra
C10H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.17101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS007007
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS007008
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS007009
4-Methylumbelliferone, Cholestil, beta-Methylumbel...
3 spectra
C10H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.17101
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200330
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200703
4-Methylumbelliferyl glucuronide
1 spectrum
C16H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.07944
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80431
4-Methylumbelliferyl sulfate
1 spectrum
C10H8O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.00415
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM832451
4-Methylumbelliferyl-beta-D-glucuronide
1 spectrum
C16H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.07944
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM832751
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