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34,643 Hit.
( 3,948 - 4,049 Displayed )
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Name
Formula / Structure
ExactMass
ID
3-Methylhippuric acid
1 spectrum
C10H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
193.07390
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP012912
3-Methylsulfinylpropyl glucosinolate, beta-D-Gluco...
6 spectra
C11H21NO10S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
423.48099
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107408
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107409
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107410
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107411
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107412
3-Methylthiopropyl-Glucosinolate
18 spectra
C11H21NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
407.03784
LC-ESI-ITFT; MS2; HCD; CE 10.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000561
LC-ESI-ITFT; MS2; HCD; CE 15.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000552
LC-ESI-ITFT; MS2; HCD; CE 20.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000556
LC-ESI-ITFT; MS2; HCD; CE 25.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000553
LC-ESI-ITFT; MS2; HCD; CE 30.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000557
LC-ESI-ITFT; MS2; HCD; CE 35.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000555
LC-ESI-ITFT; MS2; HCD; CE 40.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000559
LC-ESI-ITFT; MS2; HCD; CE 45.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000558
LC-ESI-ITFT; MS2; HCD; CE 5.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000554
LC-ESI-ITFT; MS2; HCD; CE 50.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000560
LC-ESI-ITFT; MS2; HCD; CE 55.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000549
LC-ESI-ITFT; MS2; HCD; CE 60.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000546
LC-ESI-ITFT; MS2; HCD; CE 65.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000544
LC-ESI-ITFT; MS2; HCD; CE 70.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000551
LC-ESI-ITFT; MS2; HCD; CE 75.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000548
LC-ESI-ITFT; MS2; HCD; CE 80.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000547
LC-ESI-ITFT; MS2; HCD; CE 85.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000550
LC-ESI-ITFT; MS2; HCD; CE 90.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000545
3-Methyluridine
1 spectrum
C10H14N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.08517
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80391
3-Methylxanthine
17 spectra
C6H6N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.04910
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL231109967
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL231109965
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL231109959
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL231109973
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL231109971
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL231109966
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL231109964
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL231109972
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL231109962
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL231109960
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL231109963
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL231109974
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL231109970
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL231109968
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL231109961
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL231109969
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100871
3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-...
1 spectrum
C6H6N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.14000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210310
3-nitrobenzanthrone
1 spectrum
C17H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
275.05820
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA001605
3-Nitrobenzenesulfonic acid
4 spectra
C6H5NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.98885
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU406751
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU406752
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU406753
LC-ESI-QTOF; MS2; CE: RAMP 10-30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU406756
3-Nitrobenzoic acid
3 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02185
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002451
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002450
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002452
3-Nitrobenzyl alcohol
1 spectrum
C7H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.04259
FAB-BE; MS; Negative; Matrix 3-Nitrobenzyl alcohol
MSBNK-MSSJ-MSJ00067
3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid
7 spectra
C32H48O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
512.35016
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00398
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00399
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00400
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00401
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00402
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00403
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00397
3-O-Acetyl-16alpha-hydroxytrametenolic acid
7 spectra
C32H50O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
514.36584
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00426
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00427
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00428
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00429
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00430
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00431
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00425
3-O-Feruloylquinic acid
1 spectrum
C17H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.33801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000307
3-O-Neohesperidoside Kaempferol (NMR)
3 spectra
C27H30O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.15851
LC-ESI-QTOF; MS
MSBNK-BS-BS001030
LC-ESI-QTOF; MS2; CE:38 eV; [M-H]-
MSBNK-BS-BS001029
LC-ESI-QTOF; MS2; CE:52 eV; [M-H]-
MSBNK-BS-BS001028
3-O-Neohesperidoside Quercetin (NMR)
3 spectra
C27H30O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.15338
LC-ESI-QTOF; MS
MSBNK-BS-BS001033
LC-ESI-QTOF; MS2; CE:38 eV; [M-H]-
MSBNK-BS-BS001032
LC-ESI-QTOF; MS2; CE:52 eV; [M-H]-
MSBNK-BS-BS001031
3-O-Neohesperidoside-7-Rha Kaempferol (NMR)
2 spectra
C33H40O19
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
740.21637
LC-ESI-QTOF; MS
MSBNK-BS-BS001036
LC-ESI-QTOF; MS2; CE:44 eV; [M-H]-
MSBNK-BS-BS001037
3-O-Neohesperidoside-7-Rha Quercetin (NMR)
2 spectra
C33H40O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
756.21130
LC-ESI-QTOF; MS
MSBNK-BS-BS001039
LC-ESI-QTOF; MS2; CE:45 eV; [M-H]-
MSBNK-BS-BS001038
3-Oxo-5a-cholan-24-oic acid
4 spectra
C24H38O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.28210
LC-ESI-TOF; MS; NEGATIVE; in source decay -120 V
MSBNK-Nihon_Univ-NU000699
LC-ESI-TOF; MS; NEGATIVE; in source decay -30 V
MSBNK-Nihon_Univ-NU000696
LC-ESI-TOF; MS; NEGATIVE; in source decay -60 V
MSBNK-Nihon_Univ-NU000697
LC-ESI-TOF; MS; NEGATIVE; in source decay -90 V
MSBNK-Nihon_Univ-NU000698
3-Oxo-5b-cholan-24-oic Acid
2 spectra
C24H38O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.28210
LC-ESI-TOF; MS; NEGATIVE; in source decay -60 V
MSBNK-Nihon_Univ-NU000652
LC-ESI-TOF; MS; NEGATIVE; in source decay -90 V
MSBNK-Nihon_Univ-NU000653
3-oxo-C10-homoserine lactone
3 spectra
C14H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
269.16269
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP021011
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP021012
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP021013
3-oxo-C12 homoserine lactone
3 spectra
C16H27NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.19400
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP021111
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP021112
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP021113
3-oxo-C14 homoserine lactone
3 spectra
C18H31NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
325.22531
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP021211
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP021212
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP021213
3-oxo-C4-homoserine lactone
3 spectra
C8H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
185.06880
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP020711
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP020712
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP020713
3-oxo-C6-homoserine lactone
3 spectra
C10H15NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.10010
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP020811
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP020812
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP020813
3-oxo-C8-homoserine lactone
3 spectra
C12H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
241.13139
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP020911
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP020912
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP020913
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