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96,350 Hit.
( 1,321 - 1,471 Displayed )
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Name
Formula / Structure
ExactMass
ID
(S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydroc...
2 spectra
C10H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.21800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106160
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206160
(S)-3-Amino-4-hydroxybutyric acid
2 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100287
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100718
(S)-3-Amino-4-phenylbutyric acid
2 spectra
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100339
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100782
(S)-3-Amino-5-methylhexanoic acid
2 spectra
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-PR100280
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100712
(S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(al...
11 spectra
C28H34O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.56500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086004
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086005
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086007
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086008
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086009
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086010
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086011
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086012
(S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alph...
3 spectra
C28H34O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.56598
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT108650
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT208650
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT208653
(S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phen...
4 spectra
C9H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.17700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096407
(S)-Luteanine
4 spectra
C20H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.41061
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00627
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00626
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00625
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00628
(S)-Mandelic acid
5 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001417
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001418
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001419
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001420
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001421
(S)-N-methyl-pregabalin
16 spectra
C9H19NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.14160
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111012739
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111012738
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111012747
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111012743
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111012735
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111012740
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111012733
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111012744
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111012741
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012732
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012746
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111012742
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111012737
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111012745
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111012736
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111012734
(S,R)-Noscapine
3 spectra
C22H23NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.14746
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00280
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00289
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00298
(S,S)-(+)-Tetrandrine
13 spectra
C38H42N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
622.76202
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301495
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301503
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301506
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301510
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301514
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301518
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301522
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301526
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301530
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301534
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301537
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310447
(Tert-Butoxycarbonylmethyl)triphenylphosphonium
16 spectra
[C24H26O2P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.16650
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111012332
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111012325
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111012333
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111012337
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111012329
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111012327
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111012328
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111012336
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111012330
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012331
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012338
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111012326
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111012339
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111012324
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111012334
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111012335
(Vinylbenzyl)trimethyl ammonium
16 spectra
[C12H18N]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.14340
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23110945
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23110948
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23110943
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23110947
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23110946
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23110935
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23110942
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23110936
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23110938
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23110933
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23110939
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23110937
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23110941
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23110940
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23110944
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23110934
(Z)-Octadec-9-enoic acid, Pamolyn, Fat Acid, cis-9...
2 spectra
C18H34O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.46799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031502
(Z)-prop-1-ene-1,2,3-tricarboxylic acid, Achilleai...
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206570
1,1'-Disulfanediyldiazepan-2-one
3 spectra
C12H20N2O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.09662
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000330
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000328
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000329
1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)metha...
16 spectra
C2HF6NO4S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.92511
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111016308
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111016304
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111016299
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111016303
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111016310
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111016306
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111016302
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111016297
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111016300
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111016298
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111016305
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111016295
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111016296
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111016301
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111016309
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111016307
1,1,2-Trimethyl-1H-benzo[e]indole
9 spectra
C15H15N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
209.12045
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000373
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000375
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000374
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU059801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU059802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU059803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU059804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU059805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU059806
1,1,3,3-Tetrabutylurea
3 spectra
C17H36N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.28278
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000088
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000089
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000090
1,1,3-Trimethyl-2-thiourea
6 spectra
C4H10N2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.05650
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU088601
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU088602
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU088603
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU088604
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU088605
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU088606
1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane
3 spectra
C30H40O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.30283
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002329
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002330
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002328
1,1-Dimethylbiguanide hydrochloride, Dimethylguany...
5 spectra
C4H11N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.16701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS002205
1,10-Phenanthroline
3 spectra
C12H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06874
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000964
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000965
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000966
1,16-Didehydro-2,6-cyclolycopene-5-ol
1 spectrum
C40H56O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
552.43311
FAB-EBEB; MS2; m/z: 552.43; [M]*+
MSBNK-Kyoto_Univ-CA000185
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