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34,643 Hit.
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Name
Formula / Structure
ExactMass
ID
3-Hydroxymethylmefenamic acid
9 spectra
C15H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
257.10519
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153757
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153751
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153758
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153759
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153752
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153753
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153754
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153755
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag-EQ01153756
3-Hydroxyphenylacetic acid
3 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04730
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP015611
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP015612
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP015613
3-Hydroxypicolinic acid
1 spectrum
C6H5NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.02695
MALDI-TOF; MS; Neg
MSBNK-Osaka_MCHRI-MCH00010
3-Hydroxypropyl-Glucosinolate
18 spectra
C10H19NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.04504
LC-ESI-ITFT; MS2; HCD; CE 10.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000522
LC-ESI-ITFT; MS2; HCD; CE 15.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000513
LC-ESI-ITFT; MS2; HCD; CE 20.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000517
LC-ESI-ITFT; MS2; HCD; CE 25.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000514
LC-ESI-ITFT; MS2; HCD; CE 30.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000518
LC-ESI-ITFT; MS2; HCD; CE 35.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000516
LC-ESI-ITFT; MS2; HCD; CE 40.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000520
LC-ESI-ITFT; MS2; HCD; CE 45.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000519
LC-ESI-ITFT; MS2; HCD; CE 5.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000515
LC-ESI-ITFT; MS2; HCD; CE 50.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000521
LC-ESI-ITFT; MS2; HCD; CE 55.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000510
LC-ESI-ITFT; MS2; HCD; CE 60.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000507
LC-ESI-ITFT; MS2; HCD; CE 65.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000505
LC-ESI-ITFT; MS2; HCD; CE 70.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000512
LC-ESI-ITFT; MS2; HCD; CE 75.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000509
LC-ESI-ITFT; MS2; HCD; CE 80.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000508
LC-ESI-ITFT; MS2; HCD; CE 85.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000511
LC-ESI-ITFT; MS2; HCD; CE 90.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000506
3-Hydroxypyridine
2 spectra
C5H5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
95.03711
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100769
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100768
3-Hydroxypyridine-2-methanol
3 spectra
C6H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.04768
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001097
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001099
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001096
3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, ...
1 spectrum
C10H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.18700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202550
3-Indoleacetonitrile
5 spectra
C10H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.06876
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001206
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001207
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001208
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001209
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001210
3-Indolebutyric acid
5 spectra
C12H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.09464
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001216
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001217
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001218
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001219
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001220
3-Indolylcarboxylic Acid, 1H-indole-3-carboxylic a...
1 spectrum
C9H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.16000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210910
3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Ind...
3 spectra
C9H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.16000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109107
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109108
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109109
3-Indoxyl sulfate
6 spectra
C8H7NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.00958
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001246
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001247
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001248
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001249
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001250
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100831
3-Iodotyrosine
5 spectra
C9H10INO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.97055
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001241
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001242
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001243
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001244
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001245
3-Isoreserpine
4 spectra
C33H40N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
608.69470
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA03874
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA03875
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA03876
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA03873
3-Methoxy-5-methylphenol
2 spectra
C8H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.06808
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001978
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001977
3-Methoxycinnamic acid
9 spectra
C10H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.18700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305850
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305857
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305876
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305883
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305889
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305908
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305921
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308803
3-Methyl-2-oxobutyric acid, 3-Methyl-2-oxobutyric ...
1 spectrum
C5H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.11600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068607
3-methyl-2-oxovalerate
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06299
LC-ESI-IT; MS2; m/z: 129.2; [M-H]-
MSBNK-Metabolon-MT000121
3-methyl-2-oxovaleric 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-ML001451
3-Methyl-4-(methylthio)phenol
2 spectra
C8H10OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.04524
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001390
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001389
3-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-...
1 spectrum
C7H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.18401
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209670
3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3...
1 spectrum
C7H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.18401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096707
3-Methyladipic acid
3 spectra
C7H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.07359
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP015811
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP015812
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP015813
3-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-KO001352
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001353
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001354
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001355
3-Methylguanine
5 spectra
C6H7N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.06506
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001389
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001390
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001391
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001392
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001393
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