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Name
Formula / Structure
ExactMass
ID
Nordihydroguaiaretic acid
6 spectra
C18H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.15179
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81823
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00380
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00386
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00392
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81821
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81820
Noscapine
2 spectra
C22H23NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.14746
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81827
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81825
O2,2'-Cyclouridine
4 spectra
C9H10N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.05898
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81843
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81842
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81841
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81840
Oleanolic acid
7 spectra
C30H48O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
456.36035
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81848
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81847
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00591
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00596
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00601
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81846
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81845
Orcinol
4 spectra
C7H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
124.05243
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81852
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01272
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81851
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81850
Orobole 7-O-Glucoside, Acetate
6 spectra
C35H34O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
742.17450
LC-ESI-QTOF; MS2; CE 10 ev; [M+CH3COOH-H]-
MSBNK-Washington_State_Univ-BML01622
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01596
LC-ESI-QTOF; MS2; CE 20 ev; [M+CH3COOH-H]-
MSBNK-Washington_State_Univ-BML01630
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01605
LC-ESI-QTOF; MS2; CE 40 ev; [M+CH3COOH-H]-
MSBNK-Washington_State_Univ-BML01638
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01614
Otosenine
3 spectra
C19H27NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.17874
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81862
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81861
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81860
Ouabain
4 spectra
C29H44O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
584.28326
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01804
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01814
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81866
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81865
Oxitriptan 1
7 spectra
C11H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.08479
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81873
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81872
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01217
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01223
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01229
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81871
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81870
Oxoglaucine
5 spectra
C20H17NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
351.11069
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81877
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00788
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00799
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00810
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81875
Oxytetracycline
2 spectra
C22H24N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
460.14819
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81881
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81880
Paclitaxel
9 spectra
C47H51NO14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
853.33093
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81888
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81887
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00914
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00942
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00925
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00948
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00954
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81886
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81885
Panthenol
7 spectra
C9H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.13141
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81893
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81892
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01113
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01159
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01168
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81891
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81890
Papaverine
5 spectra
C20H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.14706
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81897
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00069
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00076
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00083
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81895
Parthenolide
2 spectra
C15H20O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.14125
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81902
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81900
Pectolinarin
9 spectra
C29H34O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
622.18976
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81907
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01591
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01618
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01600
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01626
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01609
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01634
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81906
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81905
Peganine
2 spectra
C11H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.09496
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81912
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81910
Peracetate Quercetin
5 spectra
C25H20O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
512.09546
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81917
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01383
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01392
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01401
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81915
Pergolide
6 spectra
C19H26N2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.18167
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81922
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00744
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00751
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00758
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81921
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81920
phenyl(1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-...
5 spectra
C28H27NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
457.18893
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81927
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00820
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00830
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00840
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81925
Phloretin
10 spectra
C15H14O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.08414
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81933
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81932
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00573
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00590
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00579
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00595
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00585
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00600
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81931
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81930
Phloridzin
6 spectra
C21H24O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
436.13693
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81938
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00588
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00593
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00598
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81936
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81935
Phylloquinone
1 spectrum
C31H46O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
450.34979
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81942
Picrotin
7 spectra
C15H18O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.10526
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81948
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81947
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00671
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00679
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00687
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81946
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81945
Picrotoxinin
8 spectra
C15H16O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
292.09470
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81953
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81952
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00640
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00672
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00680
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00688
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81951
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81950
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