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Name
Formula / Structure
ExactMass
ID
1,3-diphenylguanidine
3 spectra
C13H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.11090
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW100703
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW100702
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW100704
1,3-Diphenylguanidine
18 spectra
C13H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.11090
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU084501
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU084551
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU084502
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU084552
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU084503
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU084553
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU084504
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU084554
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU084505
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU084555
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU084506
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU084556
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248705
LC-ESI-QTOF; MS2; CE: Ramp 18.4-27.7 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU248706
1,3-DIPHENYLPYRAZOLE
1 spectrum
C15H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.10005
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004358
1,3-Diphenylurea
28 spectra
C13H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.09500
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311095689
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011306
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311095681
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111011301
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311095686
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111011305
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311095677
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311095685
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311095687
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311095683
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311095691
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011307
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311095678
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011300
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095680
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095690
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011298
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011302
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311095679
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011308
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311095676
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011303
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311095684
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011299
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311095688
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011304
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311095682
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111011297
1,3-DIPHENYLUREA
2 spectra
C13H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.09496
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010555
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010573
1,3-Dipropan-2-ylurea
6 spectra
C7H16N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.12630
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU036001
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU036002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU036003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU036004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU036005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU036006
1,3-DIPROPYNOXY-4-CHLORO-6-CYANOBENZENE
1 spectrum
C13H8ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
245.02435
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010130
1,3-Phenylenediamine
5 spectra
C6H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
108.06875
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003710
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003711
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003712
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003713
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003714
1,3-Propanediamine dihydrochloride, 1,3-Diaminopro...
2 spectra
C3H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
74.12700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS000101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS000102
1,3-Propanediamine, 1,3-Diaminopropane
2 spectra
C3H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
74.12700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS074002
1,3-PROPANEDIOL
1 spectrum
C3H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
76.05243
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001837
1,3-PROPANEDITHIOL
1 spectrum
C3H8S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
108.00674
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009491
1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTH...
1 spectrum
C11H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.13577
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009339
1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTH...
1 spectrum
C11H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.13577
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009751
1,4,5,6,7,8,8-HEPTACHLORO-3A,4,7,7A-TETRAHYDRO-4,7...
1 spectrum
C10H5Cl7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
369.82108
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000972
1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-GLUCO...
1 spectrum
C15H22O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
346.12637
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002978
1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-MANNO...
1 spectrum
C15H22O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
346.12637
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002979
1,4,5-TRI-O-ACETYL-3,6-DI-O-METHYL-2-N-METHYLACETA...
1 spectrum
C17H29NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
391.18423
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004507
1,4,5-TRIMETHYL-2-PYRAZOLINE
1 spectrum
C6H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
112.10005
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000895
1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide 6-Tigl...
4 spectra
C20H28O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.44260
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00271
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00270
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00269
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00272
1,4,7,10-TETRAOXACYCLODODECANE
1 spectrum
C8H16O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.10486
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006372
1,4,7-TRIMETHYL-3,6-DIOXAOCTANE-1,8-DIOL
1 spectrum
C9H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.13615
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001290
1,4,7-TRIMETHYLINDAN
1 spectrum
C12H16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.12520
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007840
1,4,9,14,19-PENTAOXO-1,4,6,7,8,9,14,15,16,17-DECAH...
1 spectrum
C27H18O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
422.11542
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011530
1,4,9,14-TETRAOXO-1,4,6,7,8,9,14,15,16,17-DECAHYDR...
1 spectrum
C27H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.13617
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011521
1,4-Androstadiene-3,17-dione
13 spectra
C19H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.17764
LC-APPI-QQ; MS
MSBNK-PFOS_research_group-FFF00062
LC-APPI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-PFOS_research_group-FFF00055
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00061
LC-APPI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-PFOS_research_group-FFF00054
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00060
LC-APPI-QQ; MS2; CE:30 V
MSBNK-PFOS_research_group-FFF00053
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00059
LC-APPI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-PFOS_research_group-FFF00052
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00058
LC-APPI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-PFOS_research_group-FFF00051
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00057
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
MSBNK-PFOS_research_group-FFF00056
LC-APPI-QQ; MS2; CE:60V; [M+H]+
MSBNK-PFOS_research_group-FFF00050
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