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33,706 Hit.
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Name
Formula / Structure
ExactMass
ID
(3R)-3-amino-5-methylsulfanylpentanoic acid, R-3-A...
1 spectrum
C6H13NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.24001
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206090
(3R,4R)-3-Amino-4-hydroxypentanoic acid, (3R,4R)-3...
1 spectrum
C5H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.14700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206180
(3R,4S)-3-Amino-4-methylhexanoic acid
1 spectrum
C7H15NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.11028
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100781
(3S)-3,7-diaminoheptanoic acid
1 spectrum
C7H16N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.12119
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100713
(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid, L-bet...
1 spectrum
C12H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.25600
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206150
(4-Aminophenyl)arsonic acid
6 spectra
C6H8AsNO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.97200
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU040651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU040652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU040653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU040654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU040655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU040656
(4-Chloro-2-methylphenoxy)acetic acid
16 spectra
C9H9ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.02400
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111014254
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111014251
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111014240
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111014255
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111014250
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111014242
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111014247
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111014246
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111014253
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111014241
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111014243
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111014249
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111014244
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111014252
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111014248
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111014245
(4-chloro-2-methylphenoxy)acetic acid
1 spectrum
C9H9ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.02400
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML000251
(4-nitrophenyl) dihydrogen phosphate, p-Nitropheny...
2 spectra
C6H6NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.09100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203260
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203263
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,1...
2 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.57901
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206680
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206683
(5a,6b)-6-Hydroxycholan-24-oic acid
2 spectra
C24H40O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.29776
LC-ESI-TOF; MS; NEGATIVE; In source decay -120 V
MSBNK-Nihon_Univ-NU000569
LC-ESI-TOF; MS; NEGATIVE; In source decay -90 V
MSBNK-Nihon_Univ-NU000568
(6)-Gingerol
3 spectra
C17H26O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.18311
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001516
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001518
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001520
(9Z,12R)-12-Hydroxyoctadec-9-enoic acid
6 spectra
C18H34O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.25079
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU021951
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU021952
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU021953
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU021954
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU021955
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU021956
(Aminomethyl)phosphonic acid
5 spectra
CH6NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.00853
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000305
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000306
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000307
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000308
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000309
(Dodecyloxy)sulfonic acid
1 spectrum
C12H26O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.15518
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309118
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid, tran...
1 spectrum
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.15900
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT201770
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid, trans-4-...
2 spectra
C9H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.16000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT211430
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT211433
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl...
1 spectrum
C18H27NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
305.41800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204410
(gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide ...
1 spectrum
C20H32N6O12S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
612.63599
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202350
(gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide ...
5 spectra
C20H32N6O12S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
612.63599
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS023507
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS023508
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS023509
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS023510
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS023512
(Glc(alpha1-4)Glc(alpha1-4)Glc), (2R,3R,4S,5S,6R)-...
2 spectra
C18H32O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
504.43799
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202950
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT205480
(Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amyl...
2 spectra
C18H32O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
504.43799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS054807
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS054808
(Methylsulfanyl)butyl glucosinolate
1 spectrum
C12H23NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.50900
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309205
(Methylsulfanyl)heptyl glucosinolate
1 spectrum
C15H29NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.59000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309210
(Methylsulfanyl)octyl glucosinolate
1 spectrum
C16H31NO9S3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
477.61700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309215
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