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96,350 Hit.
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Name
Formula / Structure
ExactMass
ID
Pyrithiobac
12 spectra
C13H11ClN2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.01279
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU040001
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU040051
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU040002
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU040052
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU040003
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU040053
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU040004
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU040054
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU040005
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU040055
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU040006
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU040056
Pyrithione
9 spectra
C5H5NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
127.00920
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142507
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142501
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142508
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142509
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142502
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142503
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142504
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142505
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01142506
Pyrocatechol
6 spectra
C6H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
110.03680
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP012001
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP012011
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP012002
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP012012
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP012003
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP012013
Pyroglutamic acid (Not validated)
1 spectrum
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309410
Pyroglutamic acid (not validated, isomer of 88)
1 spectrum
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311148
Pyroglutamic acid (not validated, isomer of 89)
1 spectrum
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311147
Pyroglutamyl-Isoleucine
1 spectrum
C11H18N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.27499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309064
PyroglutamylIsoleucine (isomer of 1005)
1 spectrum
C11H18N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.27499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311041
PyroglutamylIsoleucine (isomer of 1006)
1 spectrum
C11H18N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.27499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311042
Pyromellitic acid
3 spectra
C10H6O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.00627
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000797
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000796
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000798
Pyrophen
5 spectra
C16H17NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.11575
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000852
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000853
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000854
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000855
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000856
Pyroxsulam
16 spectra
C14H13F3N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.06201
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111019145
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111019154
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111019155
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111019156
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111019157
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111019158
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111019159
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111019146
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111019147
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111019148
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111019160
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111019149
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111019150
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111019151
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111019152
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111019153
Pyrrhoxanthinol
2 spectra
C37H46O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.33453
FAB-EBEB; MS2; m/z: 570.33; [M]+*
MSBNK-Kyoto_Univ-CA000097
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 V
MSBNK-MSSJ-MSJ00149
Pyrrhoxathinol 5,8-furanoide
1 spectrum
C37H46O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.33453
FAB-EBEB; MS2; m/z: 570.33; [M]+*
MSBNK-Kyoto_Univ-CA000098
Pyrrol
1 spectrum
C4H5N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
67.04220
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM815506
Pyrrole 2-carboxylic acid
5 spectra
C5H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.03203
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001715
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001716
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001717
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001718
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001719
Pyrroxanthin 5,8-furanoxide
1 spectrum
C39H48O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
612.34509
FAB-EBEB; MS2; m/z: 612.35; [M]+*
MSBNK-Kyoto_Univ-CA000095
Pyruvic acid
5 spectra
C3H4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.01604
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001590
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001591
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001592
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001593
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001594
Pyruvic acid sodium salt, Acetylformic acid, 2-Oxo...
3 spectra
C3H4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.06200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS098201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS098202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS098203
PYZ_n_301.9991_22.6
1 spectrum
C12H11Cl2NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.00650
LC-ESI-QFT; MS2; CE: 35%; R=17500; [M-H]-
MSBNK-Eawag_Additional_Specs-ET407101
Quaternium-15 (free base)
5 spectra
[C9H16ClN4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.10635
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242301
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242302
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242303
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242304
LC-ESI-QTOF; MS2; CE: Ramp 18.6-27.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU242306
Quebrachidine
4 spectra
C21H24N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.43701
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02067
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02066
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02065
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02068
Quer-3-Ara-Glc, 2-(3,4-dihydroxyphenyl)-5,7-dihydr...
3 spectra
C26H28O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
596.49402
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104310
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204310
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204313
Quer-3-GlcA, Miquelianin, Querciturone, Quercetin-...
2 spectra
C21H18O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.36200
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT109330
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209330
Quer-3-Rha, thujin, Quercitrin, 2-(3,4-dihydroxyph...
2 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.38000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104350
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204350
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