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6,323 Hit.
( 42 - 179 Displayed )
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Name
Formula / Structure
ExactMass
ID
C4-homoserine lactone
3 spectra
C8H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
171.08954
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP020101
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP020102
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP020103
C6-homoserine lactone
3 spectra
C10H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
199.12083
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP020201
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP020202
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP020203
C60
2 spectra
C60
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
720.00000
MALDI-TOFTOF; MS2; CE: Ar 20kV; M+
MSBNK-JEOL_Ltd-JEL00014
MALDI-TOFTOF; MS2; CE: He 20kV; M+
MSBNK-JEOL_Ltd-JEL00013
C7DEA
1 spectrum
C12H25NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.18340
LC-APCI-Q; MS; [M+H]+
MSBNK-Literature_Specs-LIT00010
C7SPC
1 spectrum
C13H18O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.08749
LC-ESI-TOF; MS2; 45 V; [M-H]-
MSBNK-Literature_Specs-LIT00038
C8-homoserine lactone
3 spectra
C12H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.15215
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP020301
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP020302
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP020303
C8-SPC
1 spectrum
C14H20O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.10309
ESI-ITFT; MS2; 30 V; [M-H]-
MSBNK-Literature_Specs-LIT00002
C9DEA
1 spectrum
C14H29NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
259.21481
LC-APCI-Q; MS; [M+H]+
MSBNK-Literature_Specs-LIT00009
CA5PE2C
1 spectrum
C17H24O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.15729
LC-ESI-Q; MS2; 40 V; [M+H]+
MSBNK-Literature_Specs-LIT00031
CA6PE2
1 spectrum
C18H28O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.19370
LC-ESI-Q; MS2; 40 V; [M+H]+
MSBNK-Literature_Specs-LIT00033
CA6PE2C
1 spectrum
C19H28O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.18860
LC-ESI-Q; MS2; 40 V; [M+H]+
MSBNK-Literature_Specs-LIT00032
CA8PE2C
1 spectrum
C21H32O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
380.21991
LC-ESI-Q; MS2; 40 V; [M+H]+
MSBNK-Literature_Specs-LIT00030
Cadaverine
11 spectra
C5H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.11570
EI-B; MS; 4 TMS; RT: 755.70 s
MSBNK-GL_Sciences_Inc-GLS00116
GC-EI-TOF; MS; 4 TMS; BP:174
MSBNK-Kazusa-KZ000016
GC-EI-TOF; MS; 4 TMS; BP:174
MSBNK-Kazusa-KZ000112
GC-EI-TOF; MS; 4 TMS; BP:174
MSBNK-RIKEN-PR010010
GC-EI-TOF; MS; n TMS; RT:704.544 sec
MSBNK-Osaka_Univ-OUF00131
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002542
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002543
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002544
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002545
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002546
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100024
CADINENE
1 spectrum
C15H24
204.18781
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002849
CAFFEIC ACID
1 spectrum
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04227
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004107
Caffeic acid
27 spectra
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04227
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010139
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010140
GC-EI-TOF; MS; n TMS; RT:821.893 sec
MSBNK-Osaka_Univ-OUF00132
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80858
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000404
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000510
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000511
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000512
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000513
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000514
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311118
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00722
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00729
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP016701
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP016711
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP016702
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP016712
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP016703
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP016713
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040214
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040212
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040213
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100110
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H-CO2]-
MSBNK-RIKEN-PR040211
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040210
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100533
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80856
Caffeic acid hexoside
1 spectrum
C15H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309375
CAFFEINE
4 spectra
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08038
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003158
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003788
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003477
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003511
Caffeine
64 spectra
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08038
GC-EI-TOF; MS; 0 TMS; BP:109
MSBNK-Kazusa-KZ000017
GC-EI-TOF; MS; 0 TMS; BP:109
MSBNK-Kazusa-KZ000113
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000088
LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
MSBNK-Metabolon-MT000087
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA030308
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA030302
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA030309
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA030303
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA030314
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA030301
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA030310
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA030304
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA030311
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA030305
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA030312
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA030306
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA030313
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA030307
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU119901
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU119902
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM866601
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU119903
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU119904
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU119905
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU119906
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000159
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002537
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002538
LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB003781
LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
MSBNK-IPB_Halle-PB003782
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002539
LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
MSBNK-IPB_Halle-PB003783
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002540
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002541
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00568
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00569
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00570
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00571
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00572
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276603
LC-ESI-QTOF; MS2; CE: Ramp 14.5-21.8 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276606
MALDI-TOFTOF; MS2; CE: 20 kV; [M+H]+
MSBNK-JEOL_Ltd-JEL00040
caffeine
4 spectra
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08040
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW107903
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW107902
LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
MSBNK-KWR-KW107901
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW107904
Caffeine
64 spectra
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08040
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA005003
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA005001
GC-EI-TOF; MS; BP:194
MSBNK-RIKEN-PR010011
GC-EI-TOF; MS; n TMS; RT:724.344 sec
MSBNK-Osaka_Univ-OUF00133
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80862
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF408903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF408901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF408904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF408902
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000952
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000951
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000950
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000949
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000948
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00696
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00705
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00714
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100026
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100025
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80860
Caffeoyl lysine
2 spectra
C15H20N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.33401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309376
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311113
Caffeoyl putrescin (isomer of 1059)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311112
Caffeoyl putrescin (isomer of 1060)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311111
Caffeoyl putrescin (isomer of 390)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309373
Caffeoyl putrescin (isomer of 391)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309374
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