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Name
Formula / Structure
ExactMass
ID
4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]tr...
32 spectra
C16H12F6N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
406.08640
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011578
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011750
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111011582
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111011749
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111011581
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111011744
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111011579
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111011741
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111011583
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111011752
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111011574
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111011751
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111011571
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111011747
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011584
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011746
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011573
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011738
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011576
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011580
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011745
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011748
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011577
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011753
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011570
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011739
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011585
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011740
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011575
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011743
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111011572
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111011742
4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETICACID
1 spectrum
C10H8N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.05350
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004461
4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETICACID ETHY...
1 spectrum
C12H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.08479
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004492
4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID...
1 spectrum
C11H10N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.06914
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004480
4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-PROPIONIC ACID ...
1 spectrum
C13H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.10043
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004302
4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN...
1 spectrum
C10H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.08479
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004471
4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN...
1 spectrum
C12H16N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.11609
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004495
4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN...
1 spectrum
C11H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.10043
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004483
4-Oxobutanoic acid, Succinaldehydic acid, Succinic...
2 spectra
C4H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.08900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS062501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS062506
4-Oxohexanoic acid
5 spectra
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06299
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001553
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001554
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001555
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001556
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001557
4-Oxopentanoic acid
2 spectra
C5H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.04734
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002449
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002448
4-OXOPENTANOIC ACID
1 spectrum
C5H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.04734
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005419
4-OXOPENTANOIC ACID TRIMETHYLSILYL ESTER
1 spectrum
C8H16O3Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.08687
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007469
4-OXOVALERIC ACID METHYL ESTER
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06299
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004234
4-Oxypiperidol
6 spectra
C9H18NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.13380
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111013825
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111013821
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111013822
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013823
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013824
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111013820
4-PENTEN-1-OL
1 spectrum
C5H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
86.07316
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004731
4-PENTENENITRILE
1 spectrum
C5H7N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
81.05785
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000918
4-PENTENYL ISOTHIOCYANATE
1 spectrum
C6H9NS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
127.04557
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000920
4-Pentylaniline
9 spectra
C11H17N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.13609
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002365
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002366
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002367
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU046801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU046802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU046803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU046804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU046805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU046806
4-PENTYLBENZOIC ACID TRIMETHYLSILYL ESTER
1 spectrum
C15H24O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.15457
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001919
4-PENTYLCYCLOHEXANOL
1 spectrum
C11H22O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.16707
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003637
4-PENTYLPYRIDINE
1 spectrum
C10H15N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.12045
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003977
4-PHENOXYBENZYL BENZOATE
1 spectrum
C20H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.10995
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011115
4-PHENOXYBENZYLALCOHOL
1 spectrum
C13H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.08372
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011472
4-Phenoxyphenol
33 spectra
C12H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.06808
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000573
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000572
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000571
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU018051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU018052
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM802253
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU018053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU018054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU018055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU018056
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092362
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311106592
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311092361
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311092353
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311092358
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311092359
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092354
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311106595
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092357
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311106593
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092351
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092363
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311106591
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311106596
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092364
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311106588
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092356
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311106590
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092360
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311106594
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311092355
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311106589
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311092352
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