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Name
Formula / Structure
ExactMass
ID
DIFURFURYL ETHER
1 spectrum
C10H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.06299
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006440
DIFURFURYL SULFIDE
1 spectrum
C10H10O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.04015
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009168
Digalacturonic acid
5 spectra
C12H18O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
370.07474
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000649
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000650
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000651
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000652
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000653
Digitonin
37 spectra
C56H92O29
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1229.32300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304406
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304407
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304408
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304409
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304410
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304411
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304412
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304413
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304414
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304415
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304416
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308530
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308531
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308537
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308538
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308542
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308543
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308547
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308548
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308554
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308555
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308561
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308562
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308567
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308568
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308574
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308580
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308581
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308586
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308587
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308593
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308594
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308723
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310422
Digitoxigenin
7 spectra
C23H34O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.24570
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000866
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000867
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001630
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001632
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001629
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001631
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001633
Digitoxigenine
5 spectra
C23H34O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.24570
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002515
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002514
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002513
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002512
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002511
Digitoxin
7 spectra
C41H64O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
764.43469
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000568
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000567
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000566
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA000565
LC-ESI-QTOF; MS2; CE 10 ev; [M+CH3COOH-H]-
MSBNK-Washington_State_Univ-BML01164
LC-ESI-QTOF; MS2; CE 20 ev; [M+CH3COOH-H]-
MSBNK-Washington_State_Univ-BML01173
LC-ESI-QTOF; MS2; CE 20 ev; [M+CH3COOH-H]-
MSBNK-Washington_State_Univ-BML01182
Diglycolic acid
2 spectra
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.02153
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001835
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001836
Diglyme
15 spectra
C6H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.09430
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA064308
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA064302
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA064309
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA064303
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-Eawag-EA064314
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA064301
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA064310
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA064304
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA064311
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA064305
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA064312
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA064306
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EA064313
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA064307
LC-ESI-QTOF; MS2; CE: Ramp 15.7-23.5 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277006
Digoxigenin
11 spectra
C23H34O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.24063
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81098
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81097
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001676
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001675
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001674
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001673
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001672
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001671
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00524
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81096
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81095
Digoxin
15 spectra
C41H64O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.42963
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81103
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000779
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000780
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA000781
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001545
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001547
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001544
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001546
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001548
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000564
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000563
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000562
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA000561
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81101
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81100
Dihexadecyldimethylammonium
16 spectra
[C34H72N]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
494.56589
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111010623
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111010634
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111010637
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111010630
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111010632
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111010635
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111010627
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111010624
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111010629
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010622
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010631
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111010626
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111010628
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111010633
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111010625
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111010636
DIHEXYL ETHER
1 spectrum
C12H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.19836
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001506
Dihexyl nonanedioate
3 spectra
C21H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
356.29266
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000094
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000096
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000095
Dihexyl phthalate
16 spectra
C20H30O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
334.21439
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU131401
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU131402
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU131403
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU131404
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU131405
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU131406
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111015619
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111015616
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111015613
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015615
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015620
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111015622
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111015618
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111015617
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111015614
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111015621
Dihexylamine
3 spectra
C12H27N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
185.21436
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000085
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000086
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000087
Dihomo-alpha-linolenic acid (20:3(n-3))
1 spectrum
C20H34O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.25589
LC-ESI-IT; MS2; m/z: 305.4; [M-H]-
MSBNK-Metabolon-MT000086
Dihomolinoleic acid (20:2(n-6))
1 spectrum
C20H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.27151
LC-ESI-IT; MS2; m/z: 307.3; [M-H]-
MSBNK-Metabolon-MT000110
Dihydoroferuloyl Octylamine
1 spectrum
C18H31NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
309.45001
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311021
Dihydralazine
6 spectra
C8H10N6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.09669
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002611
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002610
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002609
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002608
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002607
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002606
DIHYDRO-BETA-IONONE
1 spectrum
C13H22O
194.16707
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003711
Dihydro-dihydroxy-benzotriazole (TP8) (Tentative)
1 spectrum
C6H7N3O2
153.05380
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00104
DIHYDROBENZOFURAN
1 spectrum
C8H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.05751
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005431
Dihydrobenzoic acid pentose
1 spectrum
C12H14O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.23599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309051
Dihydrocaffeic acid
5 spectra
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.05791
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000584
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000585
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000586
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000587
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000588
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