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Name
Formula / Structure
ExactMass
ID
Desthiobiotin
9 spectra
C10H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.13174
LC-ESI-IT; MS2; m/z: 215; [M+H]+
MSBNK-Keio_Univ-KO009103
LC-ESI-IT; MS3; m/z: 215/197; [M+H]+
MSBNK-Keio_Univ-KO009104
LC-ESI-IT; MS4; m/z: 215/197/136; [M+H]+
MSBNK-Keio_Univ-KO009106
LC-ESI-IT; MS4; m/z: 215/197/179; [M+H]+
MSBNK-Keio_Univ-KO009105
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002731
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002732
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002733
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002734
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002735
DESTRUXIN-A
1 spectrum
C29H47N5O7
577.34753
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000151
DESTRUXINE-A
1 spectrum
C29H47N5O7
577.34753
FD-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000152
DethioBiotin
1 spectrum
C10H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.13174
GC-EI-TOF; MS; n TMS; RT:815.154 sec
MSBNK-Osaka_Univ-OUF00162
Dexamethasone
38 spectra
C22H29FO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.19989
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA261208
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA261202
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA261209
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA261203
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA261214
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA261201
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF415553
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF423253
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA261210
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA261204
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF415551
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF415554
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF423251
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF423254
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA261211
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA261205
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA261212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA261206
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF415552
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF423252
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA261213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA261207
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000578
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000577
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000576
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000575
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000574
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM872801
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00435
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00436
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00437
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00438
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00439
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU107801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU107802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU107803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU107804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU107805
Dexamethasone acetate
18 spectra
C24H31FO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.21048
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ326407
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
MSBNK-Eawag-EQ326457
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ326408
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ326458
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ326401
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ326451
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ326409
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ326459
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ326402
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ326452
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ326403
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ326453
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ326404
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ326454
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ326405
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ326455
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ326406
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ326456
Dexamethasone-21-acetate
6 spectra
C24H31FO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.21048
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283505
LC-ESI-QTOF; MS2; CE: Ramp 24.3-36.5 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283506
Dexfosfoserine, Ser(P), Serine phosphate, o-Phosph...
10 spectra
C3H8NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
185.07401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031604
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031605
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031606
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS031608
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS091001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS091002
Dextromethorphan
24 spectra
C18H25NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.19360
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA282408
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA282402
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA282409
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA282403
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA282414
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA282401
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA282410
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA282404
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA282411
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA282405
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA282412
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA282406
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA282413
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA282407
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001702
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001701
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001700
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001699
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001698
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000121
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000122
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000123
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000124
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000125
Dextromoramide
6 spectra
C25H32N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.24637
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001697
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001696
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001695
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001694
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001693
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001692
DEXTROPROPOXYPHENE
1 spectrum
C22H29NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.21982
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003165
dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-...
9 spectra
C10H13N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.24500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014604
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014605
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014608
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014609
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS014610
dGDP, [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-...
1 spectrum
C10H15N5O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.20700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206740
DGMG 18:3
4 spectra
C33H56O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
676.79700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309170
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309171
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309172
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309173
dGMP, [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-...
2 spectra
C10H14N5O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
347.22601
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204800
dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxygu...
8 spectra
C10H14N5O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
347.22601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048004
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048005
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048006
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048007
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS048008
DHA
1 spectrum
C22H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.24023
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00049
DHA-[21,21,22,22,22-d5]
1 spectrum
C22H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.24023
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00050
DHA-[d5]
6 spectra
C22H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.24023
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000106
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000107
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000108
LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000490
LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000491
LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000492
dhas#18
6 spectra
C17H32O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.20969
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP009601
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP009611
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP009602
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP009612
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP009603
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP009613
DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic a...
2 spectra
C7H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.12100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT109520
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209520
DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic a...
4 spectra
C7H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.12100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS095201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS095207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS095208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS095209
DI(2-(5-BROMOTHIENYL))DIMETHYLSILANE
1 spectrum
C10H10Br2S2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.83600
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011717
DI(2-ETHYL HEXYL) ADIPATE
1 spectrum
C22H42O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
370.30832
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003388
DI(2-ETHYL HEXYL)ISOPHTHALATE
1 spectrum
C24H38O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.27701
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003310
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