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( 908 - 1,002 Displayed )
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Name
Formula / Structure
ExactMass
ID
Isoxaflutole
1 spectrum
C15H12F3NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
359.04391
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01088
Isoxathion
1 spectrum
C13H16NO4PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.05377
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01086
Isoxathion oxon
1 spectrum
C13H16NO5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.07660
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01087
Isozophos
1 spectrum
C9H17ClN3O3PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.04169
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01085
L-(+)-Ergothioneine
7 spectra
C9H15N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
229.08850
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00861
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00862
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00863
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00864
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00865
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00866
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00860
L-Arginine
11 spectra
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11166
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00807
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00808
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00809
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00800
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00801
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00802
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00803
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00804
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00805
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00806
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00799
L-Carnitine
7 spectra
C7H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.10519
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00814
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00815
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00816
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00817
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00818
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00819
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00813
L-gamma-Glutamyl-S-3-(1-hydroxybutyl)-L-cysteinyl-...
1 spectrum
C14H25N3O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.14130
ESI-QQ; MS2; CE 10 eV; [M+H]+
MSBNK-MSSJ-MSJ00073
L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-L-cysteinyl...
1 spectrum
C13H23N3O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
365.12570
ESI-QQ; MS2; CE 10 eV; [M+H]+
MSBNK-MSSJ-MSJ00075
L-gamma-glutamyl-S-3-(1-oxobutyl)-L-cysteinyl-glyc...
1 spectrum
C14H23N3O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.12570
ESI-QQ; MS2; CE 10 eV; [M+H]+
MSBNK-MSSJ-MSJ00058
L-gamma-Glutamyl-S-3-(1-oxopropyl)-L-cysteinyl-gly...
1 spectrum
C13H21N3O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
363.10999
ESI-QQ; MS2; CE 10 eV; [M+H]+
MSBNK-MSSJ-MSJ00074
L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-L-cysteinyl-...
1 spectrum
C14H25N3O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.14130
ESI-QQ; MS2; CE 10 eV; [M+H]+
MSBNK-MSSJ-MSJ00057
L-Ornithine
12 spectra
C5H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
132.08987
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00856
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00857
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00858
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00859
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00849
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00850
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00851
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00852
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00853
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00854
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00855
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00848
Leucinostatin A
3 spectra
C62H111N11O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1217.83618
ESI-ITFT; MS2; POSITIVE; [M+H]+; CE 30 %
MSBNK-MSSJ-MSJ00170
ESI-ITFT; MS2; POSITIVE; [M+H]+; CE 35 %
MSBNK-MSSJ-MSJ00171
ESI-ITFT; MS2; POSITIVE; [M+H]+; CE 40 %
MSBNK-MSSJ-MSJ00172
Leucinostatin Y
5 spectra
C60H104N10O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1204.76819
ESI-ITFT; MS2; NEGATIVE; [M-H]-; CE 75 %
MSBNK-MSSJ-MSJ00176
ESI-ITFT; MS2; NEGATIVE; [M-H]-; CE 85 %
MSBNK-MSSJ-MSJ00177
ESI-ITFT; MS2; POSITIVE; [M+H]+; CE 30 %
MSBNK-MSSJ-MSJ00173
ESI-ITFT; MS2; POSITIVE; [M+H]+; CE 35 %
MSBNK-MSSJ-MSJ00174
ESI-ITFT; MS2; POSITIVE; [M+H]+; CE 40 %
MSBNK-MSSJ-MSJ00175
LTB4
1 spectrum
C20H32O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.23007
LC-ESI-QQ; MS2; [M-H]-; Negative
MSBNK-MSSJ-MSJ00042
Lufenuron
16 spectra
C17H8Cl2F8N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
509.97842
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]- Isotopolog ion; CE 20 V
MSBNK-MSSJ-MSJ02291
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02285
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02286
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02287
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02288
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02289
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02290
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+ Isotopolog ion; CE 20 V
MSBNK-MSSJ-MSJ02283
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02277
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02278
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02279
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02280
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02281
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02282
LC-ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02284
LC-ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02276
Lutein
2 spectra
C40H56O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
568.42798
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00111
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00112
LXA4
1 spectrum
C20H32O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.22498
LC-ESI-QQ; MS2; [M-H]-; Negative
MSBNK-MSSJ-MSJ00043
LXA4-[19,19,20,20,20-d5]
1 spectrum
C20H32O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.22498
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00052
Lycopene
2 spectra
C40H56
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
536.43817
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 eV.
MSBNK-MSSJ-MSJ00130
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 30 eV.
MSBNK-MSSJ-MSJ00131
Lycopene-5,6-diol
1 spectrum
C40H58O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.44373
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00113
Malic acid
5 spectra
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.02153
GC-EI-Q; MS; POSITIVE; 3 TBDMS-derivative
MSBNK-MSSJ-MSJ00713
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+
MSBNK-MSSJ-MSJ00737
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00732
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+
MSBNK-MSSJ-MSJ00771
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00765
Malic acid-[1,2,3,4-13C4]
6 spectra
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.02153
GC-EI-Q; MS; POSITIVE; 3 TBDMS-derivative
MSBNK-MSSJ-MSJ00718
GC-EI-Q; MS; POSITIVE; 3 TMS-derivative
MSBNK-MSSJ-MSJ00699
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-118]+
MSBNK-MSSJ-MSJ00742
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00736
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+
MSBNK-MSSJ-MSJ00776
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00770
Malic acid-[1-13C]
6 spectra
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.02153
GC-EI-Q; MS; POSITIVE; 3 TBDMS-derivative
MSBNK-MSSJ-MSJ00714
GC-EI-Q; MS; POSITIVE; 3 TMS-derivative
MSBNK-MSSJ-MSJ00695
GC-EI-QQ; MS2; CID 40 V; POSITIVE; 3 TMS-derivative; [M-118]+
MSBNK-MSSJ-MSJ00738
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00733
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-160]+
MSBNK-MSSJ-MSJ00772
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00766
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