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Name
Formula / Structure
ExactMass
ID
PHENYLACETONE
2 spectra
C9H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.07317
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002305
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007141
PHENYLACETYL CHLORIDE
3 spectra
C8H7ClO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.01854
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005211
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005320
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009410
Phenylacetylaspartic acid
1 spectrum
C12H13NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
251.23801
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309404
Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic a...
10 spectra
C10H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
193.20200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102803
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102804
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102805
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102806
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102807
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102808
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102809
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS102810
Phenylalanine
23 spectra
C9H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.07898
LC-ESI-IT; MS2; m/z: 166.1; [M+H]+
MSBNK-Metabolon-MT000018
LC-ESI-ITFT; MS2; CE 10.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000285
LC-ESI-ITFT; MS2; CE 15.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000277
LC-ESI-ITFT; MS2; CE 20.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000281
LC-ESI-ITFT; MS2; CE 25.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000278
LC-ESI-ITFT; MS2; CE 30.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000282
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000036
LC-ESI-ITFT; MS2; CE 35.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000280
LC-ESI-ITFT; MS2; CE 40.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000284
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000037
LC-ESI-ITFT; MS2; CE 45.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000283
LC-ESI-ITFT; MS2; CE 5.0 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000279
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000038
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000039
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000040
LC-ESI-QFT; MS2; NEGATIVE; generated fron DDA dataset
MSBNK-SMB_Measured-HSA002P0164000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311156
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-IPB_Halle-PB006064
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB000407
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB006065
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB006081
LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB000408
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-IPB_Halle-PB000409
Phenylalanine (Not validated)
1 spectrum
C9H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.19200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309414
Phenylalanylisoleucine (isomer of 1328)
1 spectrum
C15H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.35199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311060
Phenylalanylisoleucine (isomer of 1329)
1 spectrum
C15H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.35199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311062
Phenylalanylvaline
1 spectrum
C14H20N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.32501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311058
Phenylbenzimidazole sulfonic acid
18 spectra
C13H10N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.04120
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF417253
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF417251
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF417254
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF417252
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM823802
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM823851
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285901
LC-ESI-QTOF; MS2; CE: 10.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00581
LC-ESI-QTOF; MS2; CE: 10.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00585
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285902
LC-ESI-QTOF; MS2; CE: 20.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00582
LC-ESI-QTOF; MS2; CE: 20.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00586
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285904
LC-ESI-QTOF; MS2; CE: 40.0V; [M+H]+
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00583
LC-ESI-QTOF; MS2; CE: 40.0V; [M-H]-
MSBNK-Env_Anal_Chem_U_Tuebingen-TUE00587
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285905
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU285906
Phenylbenzimidazolesulfonic acid
2 spectra
C13H10N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.04120
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM878701
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM878751
Phenylbutazone
61 spectra
C19H20N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.15247
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002521
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002520
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002519
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002518
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002517
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002516
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ361507
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
MSBNK-Eawag-EQ361557
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ361508
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ361558
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ361501
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ361551
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ361509
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ361559
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ361502
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ361552
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ361503
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ361553
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ361504
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ361554
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ361505
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ361555
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ361506
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ361556
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011249
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311109458
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111011250
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311109456
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111011245
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311109451
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111011243
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311109447
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111011252
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311109448
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111011247
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311109452
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111011246
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311109461
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011242
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311109460
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011251
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311109459
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011241
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011244
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109446
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109455
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011237
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311109453
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011239
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311109449
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011240
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311109450
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011238
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311109454
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111011248
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311109457
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU115805
PHENYLCYCLOHEXANE
1 spectrum
C12H16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.12520
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001553
Phenyldiazane, Phenylhydrazine, Hydrazinobenzene
1 spectrum
C6H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
108.14400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS032001
PHENYLDICHLOROPHOSPHINE
1 spectrum
C6H5Cl2P
177.95059
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003812
PHENYLDIMETHYLMETHOXYSILANE
1 spectrum
C9H14OSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.08139
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001426
PHENYLDIMETHYLSILANE
1 spectrum
C8H12Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.07083
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001424
Phenylephrine
7 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.09464
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ333901
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ333902
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ333903
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ333904
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ333905
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ333906
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108225
Phenylephrine 3-O-sulfate
16 spectra
C9H13NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.05144
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01155307
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155357
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01155301
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155351
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155358
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155359
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01155302
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155352
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01155303
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155353
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01155304
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155354
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01155305
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155355
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01155306
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag-EQ01155356
Phenylethanol + Hex-Pen
1 spectrum
C19H28O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.42300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309419
PHENYLETHYL 2-ETHYLHEXANOATE
1 spectrum
C16H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.17763
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009235
PHENYLETHYL 2-FUROATE
1 spectrum
C13H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.07864
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009044
PHENYLETHYL 2-METHYLBUTYRATE
1 spectrum
C13H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.13068
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007097
PHENYLETHYL ACETATE
1 spectrum
C10H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.08372
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006377
PHENYLETHYL BUTYRATE
1 spectrum
C12H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.11504
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006417
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