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Name
Formula / Structure
ExactMass
ID
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
Malic acid-[2-13C]
5 spectra
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.02153
GC-EI-Q; MS; POSITIVE; 3 TMS-derivative
MSBNK-MSSJ-MSJ00696
GC-EI-Q; MS; POSITIVE; 3TBDMS-derivative
MSBNK-MSSJ-MSJ00715
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+
MSBNK-MSSJ-MSJ00739
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+
MSBNK-MSSJ-MSJ00773
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00767
Malic acid-[3-13C]
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-MSJ00716
GC-EI-Q; MS; POSITIVE; 3 TMS-derivative
MSBNK-MSSJ-MSJ00697
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+
MSBNK-MSSJ-MSJ00740
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00734
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+
MSBNK-MSSJ-MSJ00774
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00768
Malic acid-[4-13C]
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-MSJ00717
GC-EI-Q; MS; POSITIVE; 3 TMS-derivative
MSBNK-MSSJ-MSJ00698
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-118]+
MSBNK-MSSJ-MSJ00741
GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00735
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+
MSBNK-MSSJ-MSJ00775
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00769
Malonyldaidzin
14 spectra
C24H22O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
502.11115
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00892
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00893
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00894
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00895
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00896
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00897
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00885
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00886
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00887
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00888
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00889
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00890
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00891
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00884
Malonylgenistin
7 spectra
C24H22O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
518.10602
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00934
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00935
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00936
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00937
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00938
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00939
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00933
Malonylglycitin
14 spectra
C25H24O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
532.12170
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00987
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00988
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00989
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00990
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00991
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00992
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00980
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00981
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00982
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00983
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00984
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00985
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00986
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00979
MaR1
1 spectrum
C22H32O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.23007
LC-ESI-QQ; MS2; [M-H]-; Negative
MSBNK-MSSJ-MSJ00044
MCPB methyl ester
1 spectrum
C12H15ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.07097
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01044
Medazepam
6 spectra
C16H15ClN2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.09238
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01731
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01732
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01733
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01734
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01735
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01730
Mepanipyrim
7 spectra
C14H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.11095
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02773
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02774
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02775
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02776
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02777
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02778
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02772
Mesosulfuron-methyl
14 spectra
C17H21N5O9S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
503.07806
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02556
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02557
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02558
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02559
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02560
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02561
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 10V
MSBNK-MSSJ-MSJ02563
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 20V
MSBNK-MSSJ-MSJ02564
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 30V
MSBNK-MSSJ-MSJ02565
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 40V
MSBNK-MSSJ-MSJ02566
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 50V
MSBNK-MSSJ-MSJ02567
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 60V
MSBNK-MSSJ-MSJ02568
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ02562
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02555
Methomyl
7 spectra
C5H10N2O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.04630
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10 V
MSBNK-MSSJ-MSJ02740
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20 V
MSBNK-MSSJ-MSJ02741
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30 V
MSBNK-MSSJ-MSJ02742
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40 V
MSBNK-MSSJ-MSJ02743
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50 V
MSBNK-MSSJ-MSJ02744
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02745
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02739
Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborola...
1 spectrum
C16H23BO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.16895
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02467
Methyl 2-(3-(4-fluorobenzoyl)phenyl)propanoate
1 spectrum
C17H15FO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.10052
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02465
Methyl 2-(3-(4-nitrobenzoyl)phenyl)propanoate
1 spectrum
C17H15NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.09503
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02466
Methyl 4-(3-methylnaphthalen-2-yl)butanoate
1 spectrum
C16H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.13068
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02439
Methyl [(1R)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]...
4 spectra
C10H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.10994
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00656
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00658
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00657
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00659
Methyl [(1R)-1,2-dimethyl-3-methylenecyclopentyl]a...
4 spectra
C11H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.13068
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00668
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00670
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00669
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00671
Methyl [(1R)-1,2-dimethyl-3-oxocyclopentyl]acetate
2 spectra
C10H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.10994
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00664
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00665
Methyl [(1R)-1,2-dimethylcyclopent-2-en-1-yl]aceta...
1 spectrum
C10H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.11504
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00654
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