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Name
Formula / Structure
ExactMass
ID
C-desmethyl-metoprolol
16 spectra
C14H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.16780
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111013043
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111013044
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111013042
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111013052
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111013041
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111013039
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111013053
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111013051
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111013046
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013049
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013050
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111013054
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111013047
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111013040
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111013045
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111013048
C.I. Acid Orange 10
3 spectra
C16H12N2O7S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.00861
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000445
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000446
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000447
C.I. Acid Orange 24
6 spectra
C20H18N4O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
426.09979
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001641
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001640
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001638
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001642
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001643
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001639
C.I. Acid Orange 3
3 spectra
C18H14N4O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
430.05832
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002082
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002081
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002080
C.I. Acid Red 88
3 spectra
C20H14N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
378.06741
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000387
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000386
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000385
C.I. Basic Red 9
11 spectra
C19H17N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.14224
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001113
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001116
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001114
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001112
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001115
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU022901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU022902
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU022903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU022904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU022905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU022906
C.I. Direct Black 38
5 spectra
C34H27N9O7S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
737.14746
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001387
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001386
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001388
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001384
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001385
C.I. Direct Red 81
6 spectra
C29H21N5O8S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
631.08313
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002280
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002283
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002281
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002279
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002278
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002282
C.I. Direct Yellow 12
6 spectra
C30H28N4O8S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
636.13483
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002169
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002165
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002168
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002167
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002166
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002164
C.I. Disperse Blue 27
6 spectra
C22H16N2O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
420.09576
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001028
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001027
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001026
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001025
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001023
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001024
C.I. Disperse Orange 25
3 spectra
C17H17N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.13821
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002240
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002238
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002239
C.I. Disperse Red 60
3 spectra
C20H13NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.08447
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000035
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000034
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000036
C.I. Disperse Yellow 64
3 spectra
C18H10BrNO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
366.98441
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000172
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000174
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000173
C.I. Pigment Red 22
3 spectra
C24H18N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
426.13281
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000040
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000041
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000042
C.I. Solvent Yellow 14
6 spectra
C16H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.09500
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU029701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU029702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU029703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU029704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU029705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU029706
C.I.Disperse Yellow 42
3 spectra
C18H15N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
369.07834
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000246
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000245
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000244
C10-DATS
1 spectrum
C16H24O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.14459
ESI-ITFT; MS2; 30 V; [M-H]-
MSBNK-Literature_Specs-LIT00001
C10-DATS (TENTATIVE)
1 spectrum
C16H24O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.14459
LC-ESI-ITFT; MS2; HCD60; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00004
C10-homoserine lactone
3 spectra
C14H25NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.18344
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP020401
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP020402
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP020403
C10-LAS (SAMPLE)
1 spectrum
C16H26O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.16031
LC-ESI-QFT; MS2; HCD90; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00013
C10-LAS (STANDARD MIX)
1 spectrum
C16H26O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.16031
LC-ESI-QFT; MS2; HCD90; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00012
C10-LAS (TENTATIVE)
1 spectrum
C16H26O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.16031
LC-ESI-ITFT; MS2; HCD60; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00001
C10LAS
1 spectrum
C16H26O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.16031
LC-ESI-TOF; MS2; 45 V; [M-H]-
MSBNK-Literature_Specs-LIT00037
C11-LAS (SAMPLE)
1 spectrum
C17H28O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.17590
LC-ESI-QFT; MS2; HCD90; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00015
C11-LAS (STANDARD MIX)
1 spectrum
C17H28O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.17590
LC-ESI-QFT; MS2; HCD90; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00014
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