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117,732 Hit.
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Name
Formula / Structure
ExactMass
ID
Xanthine
7 spectra
C5H4N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.03343
GC-EI-TOF; MS; n TMS; RT:777.894 sec
MSBNK-Osaka_Univ-OUF00489
LC-ESI-IT; MS2; m/z: 153.1; [M+H]+
MSBNK-Metabolon-MT000100
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108923
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP012501
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP012502
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP012503
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100624
Xanthine (not validated)
1 spectrum
C5H4N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.11301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310811
Xanthohumol
26 spectra
C21H22O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.14673
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000108
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000109
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000110
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000111
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000112
LC-ESI-QQ; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB004921
LC-ESI-QQ; MS2; CE:15 eV; [M-H]-
MSBNK-IPB_Halle-PB004941
LC-ESI-QQ; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB004922
LC-ESI-QQ; MS2; CE:20 eV; [M-H]-
MSBNK-IPB_Halle-PB004942
LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB004923
LC-ESI-QQ; MS2; CE:25 eV; [M-H]-
MSBNK-IPB_Halle-PB004943
LC-ESI-QTOF; MS
MSBNK-BS-BS003121
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO01079
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO01080
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO01081
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO01082
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO01083
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO01084
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO01085
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
MSBNK-Fiocruz-FIO01086
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
MSBNK-Fiocruz-FIO01087
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
MSBNK-Fiocruz-FIO01088
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-IPB_Halle-PB005727
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB005728
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB005729
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003122
Xanthomegnin
11 spectra
C30H22O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
574.11108
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003749
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003258
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003750
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003259
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003751
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003260
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003752
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003261
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003753
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003754
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003262
Xanthone
6 spectra
C13H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.05240
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU019801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU019802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU019803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU019804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU019805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU019806
Xanthopterin
5 spectra
C6H5N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.04433
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004266
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004267
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004268
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004269
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004270
XANTHOSINE
3 spectra
C10H12N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.07568
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P105304_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P105304_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P105303_FB57
Xanthosine
17 spectra
C10H12N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.07568
GC-EI-TOF; MS; n TMS; RT:992.744 sec
MSBNK-Osaka_Univ-OUF00490
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82353
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311109114
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311109115
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311109120
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109117
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109119
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311109118
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311109113
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311109116
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP012601
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP012602
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP012603
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100731
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100849
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82351
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82350
Xanthosine (Not validated)
1 spectrum
C10H12N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.22800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309133
Xanthosine (not validated)
1 spectrum
C10H12N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.22800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310807
Xanthosine-5'-monophosphate
2 spectra
C10H13N4O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.04202
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100212
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100625
Xanthosine-5'-monophosphate disodium salt , Xanthy...
2 spectra
C10H13N4O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.20901
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT103740
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203740
Xanthosine-5'-monophosphate disodium salt , Xanthy...
8 spectra
C10H13N4O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.20901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037404
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037405
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037406
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS037408
Xanthotoxin
8 spectra
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04227
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO01034
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO01035
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO01036
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO01037
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO01038
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-IPB_Halle-PB006122
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB006163
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB006164
Xanthurenic acid
18 spectra
C10H7NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.03751
EI-B; MS; 3 TMS
MSBNK-GL_Sciences_Inc-GLS00095
GC-EI-TOF; MS; n TMS; RT:866.388 sec
MSBNK-Osaka_Univ-OUF00491
LC-ESI-IT; MS2; m/z: 206; [M+H]+
MSBNK-Keio_Univ-KO009082
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO002003
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO002004
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO002005
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO002006
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO002007
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00658
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00659
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00660
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00661
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00662
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO00663
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO00664
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
MSBNK-Fiocruz-FIO00665
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
MSBNK-Fiocruz-FIO00666
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
MSBNK-Fiocruz-FIO00667
Xipamide
32 spectra
C15H15ClN2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.04410
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-Eawag-EQ501307
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
MSBNK-Eawag-EQ501357
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EQ501301
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EQ501351
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
MSBNK-Eawag-EQ501308
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M-H]-
MSBNK-Eawag-EQ501358
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
MSBNK-Eawag-EQ501309
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M-H]-
MSBNK-Eawag-EQ501359
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EQ501302
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EQ501352
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EQ501303
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EQ501353
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EQ501304
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EQ501354
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EQ501305
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EQ501355
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EQ501306
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EQ501356
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111012928
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111012921
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111012927
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111012924
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111012929
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111012926
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111012925
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012919
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012923
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111012920
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111012918
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111012917
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111012930
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111012922
Xylitol
2 spectra
C5H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.06847
EI-B; MS; 5 TMS; RT: 1734.11 s
MSBNK-GL_Sciences_Inc-GLS00171
GC-EI-TOF; MS; n TMS; RT:640.494 sec
MSBNK-Osaka_Univ-OUF00492
Xylitol, Xylosic alcohol, Newtol, Wood sugar alcoh...
2 spectra
C5H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.14600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS055001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS055007
XylManGlcNAcFucGlcNAc
3 spectra
C33H56N2O24
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
864.32233
LC-ESI-QQ; MS2; CE:10V; ODS
MSBNK-Fukuyama_Univ-FU000244
LC-ESI-QQ; MS2; CE:20V; ODS
MSBNK-Fukuyama_Univ-FU000245
LC-ESI-QQ; MS2; CE:30V; ODS
MSBNK-Fukuyama_Univ-FU000246
Xylobiose, 4-O-beta-D-xylopyranosyl-D-Xylose
1 spectrum
C10H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.24500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS055104
Xylometazoline
6 spectra
C16H24N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.19395
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ303101
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ303102
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ303103
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ303104
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ303105
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ303106
Xylose 1-phosphate
5 spectra
C5H11O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.01915
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO002008
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO002009
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO002010
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO002011
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO002012
Xylure
4 spectra
C12H20N2O5Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.11414
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82358
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82357
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82356
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82355
Xylylcarb
1 spectrum
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01046
y-Linolenic acid
5 spectra
C18H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.22461
LC-ESI-QTOF; MS
MSBNK-BS-BS003977
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003975
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003973
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003974
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003976
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