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Name
Formula / Structure
ExactMass
ID
A alpha C
3 spectra
C11H9N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.07961
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000803
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA000804
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000801
A-D-GALACTOSE PENTAACETATE
1 spectrum
C16H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.11621
EI-B; MS
JP011491
A-D-GLUCOSE PENTAACETATE
1 spectrum
C16H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.11621
EI-B; MS
JP011489
a-Linolenic acid (NMR)
5 spectra
C18H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.22461
LC-ESI-QTOF; MS
BS001070
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
BS001069
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS001071
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
BS001072
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
BS001073
A9PE2C
1 spectrum
C20H32O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.23001
LC-ESI-Q; MS2; 40 V; [M+H]+
LIT00029
AA-[d8]
6 spectra
C20H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.24023
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]1-
IA000070
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]1-
IA000071
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]1-
IA000072
LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]1-
IA000361
LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]1-
IA000362
LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]1-
IA000363
AAL toxin TB
10 spectra
C25H47NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
505.32507
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000006
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000011
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000007
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000012
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000008
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000013
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000009
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000014
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000010
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000015
Abamectin B1a
4 spectra
C48H72O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
872.49219
LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+
WA000011
LC-ESI-QQ; MS2; CE:20 V; [M+NH4]+
WA000012
LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+
WA000013
LC-ESI-QQ; MS2; CE:40 V; [M+NH4]+
WA000014
Abietic acid
7 spectra
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-APCI-QTOF; MS; NEGATIVE
BML80663
LC-APCI-QTOF; MS; POSITIVE
BML80662
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00381
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00387
LC-ESI-QTOF; MS; NEGATIVE
BML80661
LC-ESI-QTOF; MS; POSITIVE
BML80660
ABIETIC ACID
1 spectrum
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
EI-B; MS
JP011063
Abietic acid
7 spectra
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM833703
ABIETIC ACID TRIMETHYLSILYL ESTER
1 spectrum
C23H38O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.26410
EI-B; MS
JP001059
ABOA
1 spectrum
C9H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.15900
LC-ESI-QTOF; MS2
PR311131
Abrine
10 spectra
C12H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.10553
LC-APCI-QTOF; MS; NEGATIVE
BML80668
LC-APCI-QTOF; MS; POSITIVE
BML80667
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00813
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00843
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00823
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00850
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00833
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00857
LC-ESI-QTOF; MS; NEGATIVE
BML80666
LC-ESI-QTOF; MS; POSITIVE
BML80665
Abromine, Trimethylaminoacetic acid, alpha-Earlein...
2 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.14800
LC-ESI-QTOF; MS2
PT111520
LC-ESI-QTOF; MS2
PT111523
Abromine, Trimethylaminoacetic acid, alpha-Earlein...
6 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.14800
LC-ESI-QQ; MS2
PS115201
LC-ESI-QQ; MS2
PS115202
LC-ESI-QQ; MS2
PS115203
LC-ESI-QQ; MS2
PS115204
LC-ESI-QQ; MS2
PS115205
LC-ESI-QQ; MS2
PS115206
Abscisic acid
7 spectra
C15H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.13617
LC-APCI-QTOF; MS; NEGATIVE
BML80673
LC-APCI-QTOF; MS; POSITIVE
BML80672
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00498
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00506
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00514
LC-ESI-QTOF; MS; NEGATIVE
BML80671
LC-ESI-QTOF; MS; POSITIVE
BML80670
Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-t...
4 spectra
C15H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.32101
LC-ESI-QQ; MS2
PS058401
LC-ESI-QQ; MS2
PS058407
LC-ESI-QQ; MS2
PS058408
LC-ESI-QQ; MS2
PS058409
Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutama...
2 spectra
C7H11NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.16701
LC-ESI-QTOF; MS2
PT110460
LC-ESI-QTOF; MS2
PT210460
Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutama...
4 spectra
C7H11NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.16701
LC-ESI-QQ; MS2
PS104601
LC-ESI-QQ; MS2
PS104602
LC-ESI-QQ; MS2
PS104603
LC-ESI-QQ; MS2
PS104604
Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, ...
5 spectra
C6H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.15700
LC-ESI-QQ; MS2
PS065901
LC-ESI-QQ; MS2
PS065902
LC-ESI-QQ; MS2
PS065903
LC-ESI-QQ; MS2
PS065904
LC-ESI-QQ; MS2
PS065905
Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, ...
1 spectrum
C6H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.15700
LC-ESI-QTOF; MS2
PT106590
Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-ac...
7 spectra
C7H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.20000
LC-ESI-QQ; MS2
PS065801
LC-ESI-QQ; MS2
PS065802
LC-ESI-QQ; MS2
PS065803
LC-ESI-QQ; MS2
PS065804
LC-ESI-QQ; MS2
PS065805
LC-ESI-QTOF; MS2
PT106580
LC-ESI-QTOF; MS2
PT206580
Acacetin
38 spectra
C16H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.06848
LC-APCI-QTOF; MS; NEGATIVE
BML80678
LC-APCI-QTOF; MS; POSITIVE
BML80677
LC-ESI-QQ; MS2
PM000334
LC-ESI-QTOF; MS
PR020028
LC-ESI-QTOF; MS2
PR302119
LC-ESI-QTOF; MS2
PR302122
LC-ESI-QTOF; MS2
PR302125
LC-ESI-QTOF; MS2
PR302128
LC-ESI-QTOF; MS2
PR302131
LC-ESI-QTOF; MS2
PR302134
LC-ESI-QTOF; MS2
PR302137
LC-ESI-QTOF; MS2
PR302139
LC-ESI-QTOF; MS2
PR302141
LC-ESI-QTOF; MS2
PR302144
LC-ESI-QTOF; MS2
PR302147
LC-ESI-QTOF; MS2
PR302150
LC-ESI-QTOF; MS2
PR305695
LC-ESI-QTOF; MS2
PR305702
LC-ESI-QTOF; MS2
PR305709
LC-ESI-QTOF; MS2
PR305716
LC-ESI-QTOF; MS2
PR305723
LC-ESI-QTOF; MS2
PR305729
LC-ESI-QTOF; MS2
PR305736
LC-ESI-QTOF; MS2
PR305743
LC-ESI-QTOF; MS2
PR305750
LC-ESI-QTOF; MS2
PR305756
LC-ESI-QTOF; MS2
PR305763
LC-ESI-QTOF; MS2
PR305770
LC-ESI-QTOF; MS2
PR308786
LC-ESI-QTOF; MS2
PR310476
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00818
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00847
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00828
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00854
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00838
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00861
LC-ESI-QTOF; MS; NEGATIVE
BML80676
LC-ESI-QTOF; MS; POSITIVE
BML80675
Acacetin diacetate
1 spectrum
C20H16O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.08960
LC-ESI-ITTOF; MS; [M+H]+
TY000176
Acacetin-5-O-xyloside
6 spectra
C21H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.11069
LC-ESI-QTOF; MS
BS003727
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
BS003722
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003723
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
BS003724
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
BS003725
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
BS003726
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