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Name
Formula / Structure
ExactMass
ID
PharmaGSID_48511
18 spectra
C27H35F2N7O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
543.27692
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001592
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001589
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001594
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001591
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001590
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001593
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU031701
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU031751
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU031702
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU031752
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU031703
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU031753
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU031704
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU031754
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU031705
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU031755
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU031706
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU031756
PharmaGSID_48513
3 spectra
C30H30F7N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
613.21753
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002122
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002120
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002121
PharmaGSID_48516
18 spectra
C15H11ClFNO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.01321
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001784
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001787
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001783
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001786
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001782
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001785
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU073601
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU073651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU073602
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU073652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU073603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU073653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU073604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU073654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU073605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU073655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU073606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU073656
PharmaGSID_48518
12 spectra
C13H9BrFNO3S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.91913
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001738
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001742
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001743
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001740
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001739
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001741
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU119701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU119702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU119703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU119704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU119705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU119706
PharmaGSID_48519
12 spectra
C22H20BrN5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
497.06985
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002130
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002128
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002129
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002125
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002126
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002127
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU060501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU060502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU060503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU060504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU060505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU060506
PharmaGSID_48521
6 spectra
C31H49N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
555.37848
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU041801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU041802
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU041803
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU041804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU041805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU041806
PHE_241.1699_9.7
5 spectra
C16H20N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.16260
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150001
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150002
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150003
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150004
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150005
PHE_257.1648_10.4
5 spectra
C16H20N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.15759
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150201
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150202
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150203
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150204
LC-ESI-QFT; MS2; CE: 15-90; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET150205
PHE_p_137.0709_12.9
1 spectrum
C7H8N2O
136.06371
LC-ESI-QFT; MS2; CE: 105%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET403101
PHE_p_137.0709_14.1
1 spectrum
C7H8N2O
136.06371
LC-ESI-QFT; MS2; CE: 105%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET403201
PHE_p_165.1021_17.6
1 spectrum
C9H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.09500
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET403301
PHE_p_237.0868_15.1
1 spectrum
C11H12N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.07970
LC-ESI-QFT; MS2; CE: 65%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET403401
Phellamurin
5 spectra
C26H30O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
518.52240
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00334
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00335
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00336
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00333
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000310
Phenacetin
26 spectra
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002336
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002335
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002334
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002333
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002332
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311109622
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311109628
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311109625
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311109627
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311109624
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311109630
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311109631
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311109626
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311109620
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109632
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311109633
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311109629
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311109621
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311109618
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311109623
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311109619
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00688
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00689
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00690
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00691
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00692
PHENACYL TETRAHYDROPYRAN-2-YL ETHER
1 spectrum
C13H16O2
204.11504
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004371
PHENAGLYCODOL
1 spectrum
C11H15ClO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.07607
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003849
Phenanthrene
6 spectra
C14H10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.07829
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU593017
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU593002
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU593018
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU593019
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU593020
PHENANTHRENE
7 spectra
C14H10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.07825
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012344
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001596
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003301
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004719
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006304
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010454
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010813
Phenanthrene
6 spectra
C14H10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.07825
GC-EI-TOF; MS; n TMS; RT:706.361 sec
MSBNK-Osaka_Univ-OUF00417
PHENANTHRIDINE
1 spectrum
C13H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.07350
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000789
Phenanzine-1-carboxylic acid
3 spectra
C13H8N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.05858
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP019001
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP019002
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP019003
Phenanzine-1_6-dicarboxylic acid
5 spectra
C14H8N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.04840
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP018701
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP018711
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP018702
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP018712
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP018703
PHENATURIC ACID
1 spectrum
C10H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
193.07388
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002233
Phenazine
4 spectra
C12H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06876
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM812904
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP019101
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP019102
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP019103
PHENAZINE
1 spectrum
C12H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06876
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009457
PHENAZINE-2-CARBOXAMIDE
1 spectrum
C13H9N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.07455
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009467
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