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Name
Formula / Structure
ExactMass
ID
alpha-D-Galactose-1-phosphate
2 spectra
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100627
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100929
alpha-D-Glucose 1-phosphate
1 spectrum
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100891
alpha-D-Glucose-1,6-diphosphate
1 spectrum
C6H14O12P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.99606
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100628
alpha-Hederin
29 spectra
C41H66O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
750.96698
LC-ESI-QTOF; MS2
PR301873
LC-ESI-QTOF; MS2
PR301874
LC-ESI-QTOF; MS2
PR301875
LC-ESI-QTOF; MS2
PR301876
LC-ESI-QTOF; MS2
PR301877
LC-ESI-QTOF; MS2
PR301878
LC-ESI-QTOF; MS2
PR301879
LC-ESI-QTOF; MS2
PR301880
LC-ESI-QTOF; MS2
PR301881
LC-ESI-QTOF; MS2
PR301882
LC-ESI-QTOF; MS2
PR301883
LC-ESI-QTOF; MS2
PR305407
LC-ESI-QTOF; MS2
PR305408
LC-ESI-QTOF; MS2
PR305409
LC-ESI-QTOF; MS2
PR305410
LC-ESI-QTOF; MS2
PR305411
LC-ESI-QTOF; MS2
PR305412
LC-ESI-QTOF; MS2
PR305413
LC-ESI-QTOF; MS2
PR305414
LC-ESI-QTOF; MS2
PR305415
LC-ESI-QTOF; MS2
PR305416
LC-ESI-QTOF; MS2
PR305417
LC-ESI-QTOF; MS2
PR305418
LC-ESI-QTOF; MS2
PR305419
LC-ESI-QTOF; MS2
PR305420
LC-ESI-QTOF; MS2
PR305421
LC-ESI-QTOF; MS2
PR308664
LC-ESI-QTOF; MS2
PR308671
LC-ESI-QTOF; MS2
PR310396
alpha-Lactose
2 spectra
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.11621
GC-EI-TOF; MS; 8 TMS; 1 MEOX; BP:73
PR010076
GC-EI-TOF; MS; 8 TMS; 1 MEOX; BP:73
PR010077
alpha-Methyl-DL-histidine
2 spectra
C7H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.08513
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100379
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100829
alpha-Methylserine
3 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
GC-EI-TOF; MS; 3 TMS; BP:73
PR010211
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100215
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100629
alpha-Solanine
63 spectra
C45H73NO15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
868.07098
LC-ESI-QTOF; MS2
PR301589
LC-ESI-QTOF; MS2
PR301593
LC-ESI-QTOF; MS2
PR301597
LC-ESI-QTOF; MS2
PR301601
LC-ESI-QTOF; MS2
PR301605
LC-ESI-QTOF; MS2
PR301609
LC-ESI-QTOF; MS2
PR301613
LC-ESI-QTOF; MS2
PR301617
LC-ESI-QTOF; MS2
PR301621
LC-ESI-QTOF; MS2
PR301625
LC-ESI-QTOF; MS2
PR301629
LC-ESI-QTOF; MS2
PR301633
LC-ESI-QTOF; MS2
PR304331
LC-ESI-QTOF; MS2
PR304335
LC-ESI-QTOF; MS2
PR304337
LC-ESI-QTOF; MS2
PR304341
LC-ESI-QTOF; MS2
PR304344
LC-ESI-QTOF; MS2
PR304346
LC-ESI-QTOF; MS2
PR305186
LC-ESI-QTOF; MS2
PR305187
LC-ESI-QTOF; MS2
PR305189
LC-ESI-QTOF; MS2
PR305190
LC-ESI-QTOF; MS2
PR305192
LC-ESI-QTOF; MS2
PR305193
LC-ESI-QTOF; MS2
PR305195
LC-ESI-QTOF; MS2
PR305196
LC-ESI-QTOF; MS2
PR305198
LC-ESI-QTOF; MS2
PR305199
LC-ESI-QTOF; MS2
PR305201
LC-ESI-QTOF; MS2
PR305202
LC-ESI-QTOF; MS2
PR305204
LC-ESI-QTOF; MS2
PR305205
LC-ESI-QTOF; MS2
PR305207
LC-ESI-QTOF; MS2
PR305208
LC-ESI-QTOF; MS2
PR305210
LC-ESI-QTOF; MS2
PR305211
LC-ESI-QTOF; MS2
PR305213
LC-ESI-QTOF; MS2
PR305214
LC-ESI-QTOF; MS2
PR305216
LC-ESI-QTOF; MS2
PR305217
LC-ESI-QTOF; MS2
PR305219
LC-ESI-QTOF; MS2
PR305220
LC-ESI-QTOF; MS2
PR308390
LC-ESI-QTOF; MS2
PR308393
LC-ESI-QTOF; MS2
PR308395
LC-ESI-QTOF; MS2
PR308396
LC-ESI-QTOF; MS2
PR308399
LC-ESI-QTOF; MS2
PR308403
LC-ESI-QTOF; MS2
PR308404
LC-ESI-QTOF; MS2
PR308407
LC-ESI-QTOF; MS2
PR308411
LC-ESI-QTOF; MS2
PR308412
LC-ESI-QTOF; MS2
PR308415
LC-ESI-QTOF; MS2
PR308416
LC-ESI-QTOF; MS2
PR308419
LC-ESI-QTOF; MS2
PR308423
LC-ESI-QTOF; MS2
PR308425
LC-ESI-QTOF; MS2
PR308426
LC-ESI-QTOF; MS2
PR308429
LC-ESI-QTOF; MS2
PR308430
LC-ESI-QTOF; MS2
PR308983
LC-ESI-QTOF; MS2
PR309424
LC-ESI-QTOF; MS2
PR310712
alpha-Tocotrienol
1 spectrum
C29H44O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.33414
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100477
Amantadine
3 spectra
C10H17N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.13609
GC-EI-TOF; MS; 1 TMS; BP:166
PR010138
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100106
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100105
Amino-nitro-toluene
1 spectrum
C7H8N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.15300
LC-ESI-QTOF; MS2
PR310800
Aminobenzoyl-glutamate
1 spectrum
C12H14N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.25299
LC-ESI-QTOF; MS2
PR311143
Aminobutyl benzamide
1 spectrum
C11H16N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.26199
LC-ESI-QTOF; MS2
PR310796
AMP
3 spectra
C10H14N5O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
347.06308
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100065
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100064
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100515
Amygdalin
39 spectra
C20H27NO11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
457.43201
LC-ESI-QTOF; MS2
PR300655
LC-ESI-QTOF; MS2
PR300660
LC-ESI-QTOF; MS2
PR300665
LC-ESI-QTOF; MS2
PR300670
LC-ESI-QTOF; MS2
PR300675
LC-ESI-QTOF; MS2
PR300680
LC-ESI-QTOF; MS2
PR300685
LC-ESI-QTOF; MS2
PR300690
LC-ESI-QTOF; MS2
PR300695
LC-ESI-QTOF; MS2
PR300700
LC-ESI-QTOF; MS2
PR300705
LC-ESI-QTOF; MS2
PR300710
LC-ESI-QTOF; MS2
PR304820
LC-ESI-QTOF; MS2
PR304821
LC-ESI-QTOF; MS2
PR304824
LC-ESI-QTOF; MS2
PR304825
LC-ESI-QTOF; MS2
PR304828
LC-ESI-QTOF; MS2
PR304829
LC-ESI-QTOF; MS2
PR304831
LC-ESI-QTOF; MS2
PR304832
LC-ESI-QTOF; MS2
PR304835
LC-ESI-QTOF; MS2
PR304836
LC-ESI-QTOF; MS2
PR304839
LC-ESI-QTOF; MS2
PR304840
LC-ESI-QTOF; MS2
PR304843
LC-ESI-QTOF; MS2
PR304844
LC-ESI-QTOF; MS2
PR304847
LC-ESI-QTOF; MS2
PR304848
LC-ESI-QTOF; MS2
PR304851
LC-ESI-QTOF; MS2
PR304852
LC-ESI-QTOF; MS2
PR304855
LC-ESI-QTOF; MS2
PR304856
LC-ESI-QTOF; MS2
PR304859
LC-ESI-QTOF; MS2
PR304860
LC-ESI-QTOF; MS2
PR304863
LC-ESI-QTOF; MS2
PR304864
LC-ESI-QTOF; MS2
PR308732
LC-ESI-QTOF; MS2
PR308733
LC-ESI-QTOF; MS2
PR310435
Anabasamine
13 spectra
C16H19N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.34900
LC-ESI-QTOF; MS2
PR301351
LC-ESI-QTOF; MS2
PR301355
LC-ESI-QTOF; MS2
PR301359
LC-ESI-QTOF; MS2
PR301363
LC-ESI-QTOF; MS2
PR301367
LC-ESI-QTOF; MS2
PR301371
LC-ESI-QTOF; MS2
PR301375
LC-ESI-QTOF; MS2
PR301379
LC-ESI-QTOF; MS2
PR301383
LC-ESI-QTOF; MS2
PR301387
LC-ESI-QTOF; MS2
PR301391
LC-ESI-QTOF; MS2
PR301395
LC-ESI-QTOF; MS2
PR310557
Aniline
2 spectra
C6H7N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
93.05785
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100108
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100107
Anthocyanidin base + 4O, 2MeO, O-Hex
1 spectrum
[C23H25O12]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
493.44101
LC-ESI-QTOF; MS2
PR311138
Anthocyanidin base + 5O, 1MeO, O-Hex, O-Hex-coumar...
1 spectrum
[C43H49O23]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
933.84198
LC-ESI-QTOF; MS2
PR311140
Anthocyanidin base+3O, O-MalonylHex
1 spectrum
C24H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
520.44299
LC-ESI-QTOF; MS2
PR311139
Anthranilic acid
3 spectra
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.04768
GC-EI-TOF; MS; 2 TMS; BP:73
PR010099
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100023
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100494
Anthranoyllycoctonine
11 spectra
C32H46N2O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
586.72601
LC-ESI-QTOF; MS2
PR300879
LC-ESI-QTOF; MS2
PR300883
LC-ESI-QTOF; MS2
PR300887
LC-ESI-QTOF; MS2
PR300891
LC-ESI-QTOF; MS2
PR300895
LC-ESI-QTOF; MS2
PR300898
LC-ESI-QTOF; MS2
PR300902
LC-ESI-QTOF; MS2
PR300906
LC-ESI-QTOF; MS2
PR300910
LC-ESI-QTOF; MS2
PR300914
LC-ESI-QTOF; MS2
PR310646
Anthraquinone base + 1O, MeOH
1 spectrum
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.24100
LC-ESI-QTOF; MS2
PR309393
Anthraquinone base + 1O, MeOH, 1MeO, O-Hex-Pen
1 spectrum
C27H30O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
578.52301
LC-ESI-QTOF; MS2
PR309400
Anthraquinone base + 1O, MeOH, O-Hex
1 spectrum
C21H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.38199
LC-ESI-QTOF; MS2
PR309396
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Responsible:
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