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Name
Formula / Structure
ExactMass
ID
Phytofluene
1 spectrum
C40H62
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
542.48517
FAB-EBEB; MS2; m/z: 542.49; [M]*+
MSBNK-Kyoto_Univ-CA000158
Phytol,mixture of isomers
2 spectra
C20H40O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.30792
GC-EI-TOF; MS; 1 TMS; BP:143
MSBNK-RIKEN-PR010114
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100055
Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2...
11 spectra
C20H40O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.53900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS009701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS009702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS009703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS009704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS009705
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS009706
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064105
Phytosphingosine (not validated, isomer of 1696)
1 spectrum
C18H39NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.51401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310832
Phytosphingosine (not validated, isomer of 1697)
1 spectrum
C18H39NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.51401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310831
Piceid
1 spectrum
C20H22O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.39349
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000271
PICENE
2 spectra
C22H14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.10956
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012378
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012379
Picolinafen
42 spectra
C19H12F4N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.08350
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF406503
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA050811C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA050813D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF406501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF406504
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0508155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0508213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0508237762PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF406502
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA050825AF82PH
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ360307
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ360308
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ360301
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ360309
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ360302
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM843903
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ360303
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ360304
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ360305
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ360306
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111018774
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111018775
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111018776
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111018783
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111018788
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111018780
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111018782
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111018777
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111018778
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111018773
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111018779
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111018781
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111018786
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111018785
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111018784
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111018787
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU231901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU231902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU231903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU231904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU231905
LC-ESI-QTOF; MS2; CE: Ramp 23.1-34.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU231906
Picolinafen-Fluoroaniline (TENTATIVE)
1 spectrum
C6H6FN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.04770
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002909
Picolinafen-OH (TENTATIVE)
2 spectra
C19H12F4N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.07700
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002907
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002908
Picolinafen-OH-fluoroaniline (TENTATIVE)
1 spectrum
C6H6FNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
127.04260
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002910
Picolinafen-OH-O-dealkylation (TENTATIVE)
2 spectra
C13H8F3NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.04440
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002905
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002906
Picolinamide
5 spectra
C6H6N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
122.04801
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003873
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003874
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003875
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003876
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003877
Picolinic acid
8 spectra
C6H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
123.03203
GC-EI-TOF; MS; n TMS; RT:459.821 sec
MSBNK-Osaka_Univ-OUF00042
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003728
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003729
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003730
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003731
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003732
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00681
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00682
Picoxystrobin
29 spectra
C18H16F3NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
367.10309
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU095101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU095102
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM845203
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU095103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU095104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU095105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU095106
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111018237
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111018240
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111018230
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111018236
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111018244
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111018235
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111018234
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111018241
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111018239
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111018231
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111018232
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111018238
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111018233
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111018229
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111018242
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111018243
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU258401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU258402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU258403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU258404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU258405
LC-ESI-QTOF; MS2; CE: Ramp 23.0-34.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU258406
Picrotin
2 spectra
C15H18O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.10526
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81947
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81945
Picrotoxinin
3 spectra
C15H16O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
292.09470
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81952
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00640
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81950
Pidopidon, Pyridoxal-5P, PLP, (4-formyl-5-hydroxy-...
1 spectrum
C8H10NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.14500
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106200
Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-H...
3 spectra
C8H10NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.14500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS062001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS062002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS062003
Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phospha...
1 spectrum
C8H10NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.14500
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104910
Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phospha...
3 spectra
C8H10NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.14500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049103
Piliformic-acid
4 spectra
C11H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.12051
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00853
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00854
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00855
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00856
Pilocarpine
33 spectra
C11H16N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.12119
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81957
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003457
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003458
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002709
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002710
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002711
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002712
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002713
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003089
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003090
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003091
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003092
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003093
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003454
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003455
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003456
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002546
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002545
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002544
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002543
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300605
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300610
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300615
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300620
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300625
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300629
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300634
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300639
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300644
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300649
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310553
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81955
Pimaric acid
1 spectrum
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81962
PIMELIC ACID
1 spectrum
C7H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.07356
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003896
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