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Name
Formula / Structure
ExactMass
ID
P-PROPYLPHENOL
1 spectrum
C9H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.08882
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009217
P-T-BUTYLCYCLOHEXYL ACETATE (CIS)
1 spectrum
C12H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000128
P-T-BUTYLCYCLOHEXYL ACETATE (TRANS)
1 spectrum
C12H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000129
P-TERT-BUTYLCYCLOHEXYL FORMATE
1 spectrum
C11H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.14633
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007057
P-TERT-BUTYLPHENYL METHYL ETHER
1 spectrum
C11H16O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.12012
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009166
P-TOLUALDEHYDE
1 spectrum
C8H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.05751
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004986
P-TOLUALDEHYDE DIMETHYLACETAL
1 spectrum
C10H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.09938
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004989
P-TOLUENESULFONAMIDE
1 spectrum
C7H9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
171.03540
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003295
p-Toluenesulfonamide
7 spectra
C7H9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
171.03540
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF418503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF418501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF418504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF418502
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM880502
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU286902
p-Toluenesulfonic acid
18 spectra
C7H8O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.01939
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-Eawag-EQ396507
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
MSBNK-Eawag-EQ396557
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EQ396501
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EQ396551
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
MSBNK-Eawag-EQ396508
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M-H]-
MSBNK-Eawag-EQ396558
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
MSBNK-Eawag-EQ396509
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M-H]-
MSBNK-Eawag-EQ396559
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EQ396502
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EQ396552
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EQ396503
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EQ396553
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EQ396504
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EQ396554
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EQ396505
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EQ396555
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EQ396506
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EQ396556
p-Xylenol blue
3 spectra
C23H22O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.11880
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000169
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000171
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000170
P14R
1 spectrum
C76H112N18O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1532.85034
MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
MSBNK-JEOL_Ltd-JEL00008
Pachymic acid
13 spectra
C33H52O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
528.38147
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00303
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00304
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00305
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00306
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00307
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00308
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00297
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00298
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00299
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00300
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00301
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00302
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00296
Paclitaxel
14 spectra
C47H51NO14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
853.33093
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81888
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81887
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00535
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00536
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00537
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00538
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00539
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00914
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00942
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00925
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00948
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00954
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81886
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81885
Paclobutrazole
9 spectra
C15H20ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.12949
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ370507
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ370508
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ370501
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ370509
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ370502
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ370503
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ370504
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ370505
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ370506
Paeoniflorin
26 spectra
C23H28O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
480.16315
LC-ESI-ITTOF; MS2; [M+NH4]+
MSBNK-Univ_Toyama-TY000238
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307373
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307374
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307375
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307376
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307377
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307378
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307379
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307381
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307382
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307383
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307384
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307385
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307386
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307387
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307388
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307389
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307390
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307391
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307392
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307393
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307394
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308712
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308714
Paeonol
17 spectra
C9H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.06299
EI-B; MS; n TMS; RT: 654.78 s
MSBNK-GL_Sciences_Inc-GLS00134
EI-B; MS; n TMS; RT: 664.97 s
MSBNK-GL_Sciences_Inc-GLS00135
GC-EI-TOF; MS; n TMS; RT:620.077 sec
MSBNK-Osaka_Univ-OUF00410
GC-EI-TOF; MS; n TMS; RT:625.978 sec
MSBNK-Osaka_Univ-OUF00411
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303529
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303530
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303531
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303532
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303533
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303534
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303535
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303536
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303537
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303538
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303539
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303540
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310436
Paichongding
9 spectra
C17H23ClN4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
366.14590
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128916
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128910
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128917
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128918
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128911
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128912
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128913
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128914
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01128915
Palatinose
2 spectra
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.11621
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100471
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100934
Paleatin A
1 spectrum
C29H28O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
472.18900
LC-ESI-QTOF; MS2; CE: 32.9896925; [M+H]+
MSBNK-IPB_Halle-PB011001
Palitantin
6 spectra
C14H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.15179
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003710
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003711
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003712
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004086
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004087
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004088
PALLADIUM DI(3-BROMOACETYLACETONATE)
1 spectrum
C10H12Br2O4Pd
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
459.81372
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000337
PALLADIUM DIACETONATE
1 spectrum
C10H14O4Pd
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.99268
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000334
Palmatine
22 spectra
[C21H22NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.15488
LC-ESI-IT; MS2; m/z: 352; [M+H]+
MSBNK-Keio_Univ-KO009210
LC-ESI-IT; MS3; m/z: 352/308; [M+H]+
MSBNK-Keio_Univ-KO009212
LC-ESI-IT; MS3; m/z: 352/337; [M+H]+
MSBNK-Keio_Univ-KO009211
LC-ESI-ITTOF; MS; [M]+
MSBNK-Univ_Toyama-TY000051
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003813
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003814
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003815
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003816
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003817
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300601
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300606
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300611
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300616
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300621
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300626
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300630
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300635
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300640
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300645
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300650
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310599
Palmitamide
2 spectra
C16H33NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.25620
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000128
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000060
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