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Name
Formula / Structure
ExactMass
ID
Deprenyl
4 spectra
C13H17N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.13609
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211904
Desacetyldiltiazem
6 spectra
C20H24N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
372.15076
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229004
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229005
LC-ESI-QTOF; MS2; CE: Ramp 23.1-34.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU229006
desethyl-desisopropyl-atrazine
1 spectrum
C3H4ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.01552
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU202201
Desethylatrazine
6 spectra
C6H10ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.06247
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253705
LC-ESI-QTOF; MS2; CE: Ramp 17.6-26.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253706
Desethylterbutylazine
6 spectra
C7H12ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.07813
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253805
LC-ESI-QTOF; MS2; CE: Ramp 18.1-27.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253806
Desisopropylatrazine
5 spectra
C5H8ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.04683
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253904
LC-ESI-QTOF; MS2; CE: Ramp 17.1-25.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253906
Desloratadine
6 spectra
C19H19ClN2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.12369
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270405
LC-ESI-QTOF; MS2; CE: Ramp 21.8-32.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU270406
Desmedipham
5 spectra
C16H16N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.11099
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU373801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU373802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU373803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU373804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU373805
Desonide
6 spectra
C24H32O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.21988
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283004
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283005
LC-ESI-QTOF; MS2; CE: Ramp 23.9-35.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU283006
Desphenyl chloridazon
5 spectra
C4H4ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.00429
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277404
LC-ESI-QTOF; MS2; CE: Ramp 16.1-24.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277406
Dexamethasone
5 spectra
C22H29FO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.19989
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-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
Di-n-butyl phosphate
1 spectrum
C8H19O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.10210
LC-ESI-QTOF; MS2; CE: Ramp 18.4-27.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU247806
Diacetylmorphine (Heroin)
10 spectra
C21H23NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
369.15762
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153301
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153304
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153305
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153307
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153308
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153309
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153310
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU153311
Diallyl phthalate
5 spectra
C14H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.08920
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501801
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501802
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501803
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU501805
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU501810
Diaveridine
1 spectrum
C13H16N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.12729
LC-ESI-QTOF; MS2; CE: Ramp 20.2-30.3 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU108501
Diazepam
6 spectra
C16H13ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.07166
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU160801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU160802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU160803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU160804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU160805
LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU160806
Diazinon
5 spectra
C12H21N2O3PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.10104
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU312401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU312402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU312403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU312404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU312405
Dibutyl maleate
5 spectra
C12H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.13620
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506101
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506102
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506103
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506104
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506105
Dibutyl phthalate
5 spectra
C16H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.15179
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU500401
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU500402
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU500403
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU500404
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU500405
Dibutyl sebacate
5 spectra
C18H34O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.24570
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505406
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505407
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505408
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505409
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505410
Dibutylhydroxytoluene
5 spectra
C15H24O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.18271
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU245401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU245402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU245403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU245404
LC-ESI-QTOF; MS2; CE: Ramp 18.8-28.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU245406
Dichlofluanid
4 spectra
C9H11Cl2FN2O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.96231
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU313401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU313402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU313403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU313404
Dichlormid
4 spectra
C8H11Cl2NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.02177
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU383301
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU383330
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU383302
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+Na]+
MSBNK-Athens_Univ-AU383331
Dichlorophen
5 spectra
C13H10Cl2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.00580
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU237557
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU237558
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU237559
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU237560
LC-ESI-QTOF; MS2; CE: Ramp 22.7-34.0 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU237562
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