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Name
Formula / Structure
ExactMass
ID
1,3-diaminopyrene
1 spectrum
C16H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.10001
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002603
1,3-dinitrobenzene
1 spectrum
C6H4N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.01711
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA003905
1,4-Chrysenequinone
3 spectra
C18H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.06812
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002103
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA002105
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002101
1,4-naphthalene-dione
2 spectra
C10H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.03680
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001803
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA001805
1,5-dihydroxyanthraquinone
2 spectra
C14H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.04230
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002303
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002301
1,8-diaminopyrene
2 spectra
C16H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.10001
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002703
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002701
1,8-dinitropyrene
2 spectra
C16H8N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
292.04840
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA003503
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA003505
1-Hydroxyanthraquinone
4 spectra
C14H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.04730
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002503
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA002505
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002501
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA002502
1-Naphthol
3 spectra
C10H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.05750
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004603
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA004604
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004601
1-chloro-2,4-dinitrobenzene
1 spectrum
C6H3ClN2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.97810
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA004105
1-hydroxypyrene
3 spectra
C16H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.07320
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004403
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004401
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA004402
1-naphthalenecarboxaldehyde, 2-hydroxy
2 spectra
C11H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.05240
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001303
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA001304
1-nitropyrene
2 spectra
C16H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.06329
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA003403
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA003405
10,11-Dihydro-10,11-dihydroxycarbamazepine
4 spectra
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10040
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF410903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF410901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF410904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF410902
17beta estradiol
4 spectra
C18H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.17761
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF414903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF414902
1H-Benzotriazole
4 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04830
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF417703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF417701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF417704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF417702
1H-Isoindole-1,3(2H)-dione
3 spectra
C8H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.03200
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA002004
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002001
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA002002
2,3-Phenazinediamine
1 spectrum
C12H10N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.09050
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
UA005801
2,4-dinitrotoluene
1 spectrum
C7H6N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.03281
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA004005
2,6-Dichlorobenzamide
4 spectra
C7H5Cl2NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.97479
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF405103
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF405101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF405104
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF405102
2,6-Xylidine
5 spectra
C8H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.08910
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF414603
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414601
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414604
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF414602
LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+
UA007301
2,8-Phenazinediamine
1 spectrum
C12H10N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.09050
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
UA005901
2-(2-(Chlorophenyl)amino)benzaldehyde
4 spectra
C13H10ClNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.04510
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF409003
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF409001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF409004
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF409002
2-(Methylthio)benzothiazole
4 spectra
C8H7NS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.00200
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF419803
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF419801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF419804
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF419802
2-Aminobenzimidazole
2 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF400801
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF400802
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mass calculator
user manual