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Name
Formula / Structure
ExactMass
ID
PELARGONALDEHYDE
2 spectra
C9H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.13577
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001484
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009327
Pelargonic acid
9 spectra
C9H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.13068
EI-B; MS; 1 TMS; RT: 500.70 s
MSBNK-GL_Sciences_Inc-GLS00129
GC-EI-TOF; MS; n TMS; RT:477.144 sec
MSBNK-Osaka_Univ-OUF00392
LC-ESI-IT; MS2; m/z: 157.2; [M-H]-
MSBNK-Metabolon-MT000076
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001671
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001672
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001673
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001674
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001675
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N106826_9CB7
Pelargonidin
1 spectrum
[C15H11O5]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.06064
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020072
Pelargonidin-3,5-di-beta-D-glucoside
26 spectra
[C27H31O15]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
595.53003
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302211
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302216
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302221
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302226
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302231
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302236
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302241
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302246
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302251
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302256
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302261
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302266
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305845
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305852
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305859
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305865
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305871
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305878
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305885
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305891
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305896
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305903
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305910
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305916
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308837
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310528
Pelargonidin-3-O-glucoside
26 spectra
[C21H21O10]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
433.38901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302621
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302627
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302633
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302639
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302645
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302651
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302657
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302663
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302669
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302675
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302681
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302687
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306287
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306294
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306307
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306314
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306320
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306327
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306334
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306341
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306348
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306355
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308831
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311179
Pelargonidin-3-O-glucoside, pelargonidin 3-O-beta-...
2 spectra
[C21H21O10]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
433.38901
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104290
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204290
Pelargonin
11 spectra
[C27H31O15]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
595.16632
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO01099
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO01100
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO01101
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO01102
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO01103
LC-ESI-QTOF; MS2; CE:30 V; [M-H+OH]-
MSBNK-RIKEN-PR040046
LC-ESI-QTOF; MS2; CE:30 V; [M]+
MSBNK-RIKEN-PR040047
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
MSBNK-RIKEN-PR100645
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H+OH]-
MSBNK-RIKEN-PR040045
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR040048
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100232
Peltatoside
10 spectra
C26H28O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
596.13776
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020076
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040169
LC-ESI-QTOF; MS2; CE:30 V; [M+Na]+
MSBNK-RIKEN-PR040170
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040168
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100675
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040171
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100252
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
MSBNK-RIKEN-PR040172
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040167
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100674
Penbutolol
5 spectra
C18H29NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
291.21982
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002583
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002582
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002581
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002580
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002579
Penciclovir
34 spectra
C10H15N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.11749
LC-ESI-IT; MS2; m/z: 254; [M+H]+
MSBNK-Keio_Univ-KO009149
LC-ESI-IT; MS3; m/z: 254/152; [M+H]+
MSBNK-Keio_Univ-KO009150
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ328801
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ328851
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ328802
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ328852
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ328803
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ328853
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ328804
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ328854
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ328805
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ328855
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ328806
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ328856
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003902
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003903
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003904
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003905
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003906
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092804
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311107863
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092799
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311107867
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092805
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311107869
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092802
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092803
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107865
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107866
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092806
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311107868
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092800
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311107864
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092801
Penconazol
16 spectra
C13H15Cl2N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.06430
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111016069
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111016063
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111016072
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111016071
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111016068
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111016060
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111016067
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111016073
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111016059
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111016058
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111016064
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111016065
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111016061
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111016066
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111016062
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111016070
Penconazole
15 spectra
C13H15Cl2N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.06430
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ310707
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ310708
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU041101
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ310701
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ310709
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU041102
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ310702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU041103
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ310703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU041104
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ310704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU041105
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ310705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU041106
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ310706
Pencycuron
28 spectra
C19H21ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.13425
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ306401
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ306451
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ306402
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ306452
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ306403
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ306453
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ306404
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ306454
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ306405
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ306455
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ306406
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ306456
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111017766
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111017754
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111017758
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111017755
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111017759
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111017767
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111017757
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111017769
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111017760
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111017761
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111017764
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111017763
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111017756
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111017762
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111017768
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111017765
Pend-3-Glc, (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4...
2 spectra
[C22H23O11]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.41501
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT108400
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT208400
PENDIMETHALIN
1 spectrum
C13H19N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.13757
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010734
Pendimethalin
48 spectra
C13H19N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.13757
LC-ESI-IT; MS2; m/z: 282; [M+H]+
MSBNK-Keio_Univ-KO009157
LC-ESI-IT; MS3; m/z: 282/212; [M+H]+
MSBNK-Keio_Univ-KO009158
LC-ESI-IT; MS4; m/z: 282/212/118; [M+H]+
MSBNK-Keio_Univ-KO009160
LC-ESI-IT; MS4; m/z: 282/212/194; [M+H]+
MSBNK-Keio_Univ-KO009159
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF405903
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA048711C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA048713D9F1PH
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF405901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF405904
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0487155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0487213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0487237762PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF405902
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA048725AF82PH
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ311601
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ311602
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM843503
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ311603
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ311604
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ311605
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ311606
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003912
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003913
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003914
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003915
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003916
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111015777
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111015770
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111015780
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111015768
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111015773
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111015781
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111015767
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111015779
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111015776
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015774
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015782
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111015772
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111015769
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111015778
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111015775
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111015771
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU254901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU254902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU254903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU254904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU254905
LC-ESI-QTOF; MS2; CE: Ramp 21.0-31.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU254906
Pendimethalin-desethyl (TENTATIVE)
2 spectra
C11H13N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
251.08980
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002898
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002897
Pendimethalin-diOH-desaturated (TENTATIVE)
1 spectrum
C13H17N3O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.10980
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002899
Pendimethalin-N-dealkylation (TENTATIVE)
1 spectrum
C8H9N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.05930
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002904
Pendimethalin-OH (TENTATIVE)
4 spectra
C13H19N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.13110
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002900
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002901
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002902
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M+H]+
MSBNK-HBM4EU-HB002903
Penflufen
9 spectra
C18H24FN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.19031
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138607
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138601
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138608
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138609
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138602
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138603
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138604
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138605
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01138606
Penfluridol
5 spectra
C28H27ClF5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
523.17010
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002209
LC-ESI-Q; MS; POS; 15 V, 45 V
MSBNK-Waters-WA002208
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002207
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002206
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002205
PENICILIN S-OXIDE
1 spectrum
C28H26N2O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
502.15625
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011081
Penicillic Acid
5 spectra
C8H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.05791
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000666
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000667
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000668
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000669
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
MSBNK-AAFC-AC000670
Penicillic acid
9 spectra
C8H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.05791
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003374
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003376
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003378
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004021
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003375
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004022
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003377
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004023
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003379
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