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Name
Formula / Structure
ExactMass
ID
PERMETHYLATED GALACTOSYL-(BETA1,3)-N-ACETYLGALACTO...
1 spectrum
C73H131N3O37
1641.84619
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001167
PERMETHYLATED N-ACETYLGALACTOSAMINYL(BETA1,3)-GALA...
1 spectrum
C41H77NO21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
919.49884
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001176
PERMETHYLATED N-ACETYLGALACTOSAMINYL-(BETA1,3)-GAL...
2 spectra
C41H77NO21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
919.49884
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001174
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001175
PERMETHYLATED N-ACETYLGALACTOSAMINYL-(BETA1,4)-GAL...
2 spectra
C32H61NO16
715.39905
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001172
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001173
PERMETHYLATED N-ACETYLGALCTOSAMINYL-(BETA1,4)-(N-A...
1 spectrum
C48H88N2O24
1076.57275
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001163
PERMETHYLATED N-ACETYLNEURAMINYL-(ALPHA2,3)-GALACT...
1 spectrum
C73H131N3O37
1641.84619
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001166
PERMETHYLATED N-ACETYLNEURAMINYL-(ALPHA2,3)-GALACT...
4 spectra
C37H69NO19
831.44635
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001161
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001162
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001168
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001169
PERPHENAZINE
1 spectrum
C21H26ClN3OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.14850
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002763
Perphenazine (oxide)
5 spectra
C21H26ClN3OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.14850
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002199
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002198
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002197
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002196
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002195
Perrottetin E 1
1 spectrum
C28H26O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
426.18301
LC-ESI-QTOF; MS2; CE: 29.53928; [M+H]+
MSBNK-IPB_Halle-PB011101
Perrottetin E 2
1 spectrum
C28H26O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
426.18301
LC-ESI-QTOF; MS2; CE: 29.53928; [M+H]+
MSBNK-IPB_Halle-PB012001
PERYLENE
4 spectra
C20H12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.09390
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012367
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001605
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008825
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011277
Perylene
1 spectrum
C20H12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.09390
LC-ESI-Q; MS; Positive
MSBNK-MSSJ-MSJ00035
Pethidine
6 spectra
C15H21NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.15723
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000714
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000713
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000712
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000711
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000710
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000709
Pethoxamid
30 spectra
C16H22ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.13391
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA014401AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA014403B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA014405070APH
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF406203
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF406201
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF406204
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF406202
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM839902
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111017985
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111017987
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111017994
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111017991
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111017990
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111017992
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111017986
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111017982
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111017988
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111017980
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111017995
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111017983
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111017984
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111017993
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111017989
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111017981
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253505
LC-ESI-QTOF; MS2; CE: Ramp 21.5-32.2 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU253506
Pethoxamide
14 spectra
C16H22ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.13339
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA070008
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA070002
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA070009
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA070003
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA070014
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA070001
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA070010
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA070004
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA070011
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA070005
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA070012
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA070006
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA070013
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA070007
Petilidine
4 spectra
C27H45NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
415.66519
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02154
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02155
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02156
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02153
Petiline
13 spectra
C27H43NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.64600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301402
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301406
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301410
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301414
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301418
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301422
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301426
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301430
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301433
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301437
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301441
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301445
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310637
Petunidin
1 spectrum
[C16H13O7]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.06613
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100450
Petunidin 3-galactoside
13 spectra
[C22H23O12]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
479.41400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303840
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303844
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303848
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303852
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303856
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303860
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303864
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303868
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303872
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303876
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303880
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303884
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310525
Petunidin-3-O-(6''-O-(4'''-O-E-coum)-alpha-rhamnop...
1 spectrum
[C43H49O23]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
933.84198
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112270
Petunidin-3-O-(6''-O-(4'''-O-E-coum)-alpha-rhamnop...
1 spectrum
[C43H49O23]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
933.26648
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100465
Petunidin-3-O-beta-glucopyranoside
1 spectrum
[C22H23O12]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
479.11896
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100455
Petunidin-3-O-beta-glucoside
13 spectra
[C22H23O12]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
479.41400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303048
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303053
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303058
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303063
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303068
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303073
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303078
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303083
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303088
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303093
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303098
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303103
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310524
Peuarenin
5 spectra
C24H26O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
458.46939
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01239
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01238
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01237
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01240
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000246
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