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Name
Formula / Structure
ExactMass
ID
8-benzyl-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxol...
2 spectra
C27H25NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.17834
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00785
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80625
8-Benzylcanadine
5 spectra
C27H27NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.19400
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80632
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00787
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00798
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00809
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80630
8-Chlro-1-tetrahydronorharmanone
8 spectra
C11H9ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.04034
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80637
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01805
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01835
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01815
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01845
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01825
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80636
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80635
8-Geranyloxy psoralen
4 spectra
C21H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.15179
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80642
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01477
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01492
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80640
8-Methoxypsoralen
5 spectra
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04225
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80647
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00961
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00970
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00979
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80645
9-methoxy-2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]qui...
9 spectra
C15H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
257.10519
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80658
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80657
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00009
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00045
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00022
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00053
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00035
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80656
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80655
9-{6-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydrois...
4 spectra
C41H48N2O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
696.34106
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80652
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00867
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00876
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80650
Abietic acid
6 spectra
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80663
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80662
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00381
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00387
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80661
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80660
Abrine
10 spectra
C12H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.10553
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80668
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80667
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00813
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00843
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00823
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00850
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00833
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00857
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80666
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80665
Abscisic acid
7 spectra
C15H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.13617
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80673
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80672
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00498
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00506
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00514
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80671
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80670
Acacetin
10 spectra
C16H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.06848
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80678
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80677
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00818
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00847
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00828
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00854
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00838
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00861
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80676
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80675
Achillin
3 spectra
C15H18O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.12560
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80682
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80681
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80680
Adenosine
4 spectra
C10H13N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.09674
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80693
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80692
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80691
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80690
Adenosine 5'-succinate
2 spectra
C14H17N5O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
367.11279
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80696
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80695
Ajmaline
6 spectra
C20H26N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.19943
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80702
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00521
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00530
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00539
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80701
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80700
all-trans-Retinoic acid
1 spectrum
C20H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.20892
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80707
Aloe-Emodin-8-O-glycoside
2 spectra
C21H20O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.10565
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80711
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80710
alpha-Codeimethine
5 spectra
C19H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.16779
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80717
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00865
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00874
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00883
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80715
alpha-Ergocryptine
4 spectra
C32H41N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
575.31079
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80723
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80722
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80721
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80720
Alpha-Peltatin
4 spectra
C21H20O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
400.11581
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82428
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82427
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82426
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82425
Ammodendrine
2 spectra
C12H20N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.15756
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80727
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80725
Amorphigenin
10 spectra
C23H22O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.13657
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80733
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80732
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00164
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00205
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00178
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00218
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00192
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00231
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80731
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80730
Ampicillin
2 spectra
C16H19N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
349.10962
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80736
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80735
Anabasine
2 spectra
C10H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.11569
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80742
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80740
Andrographolide
4 spectra
C20H30O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
350.20932
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80748
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80747
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80746
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80745
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