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34,643 Hit.
( 4,050 - 4,161 Displayed )
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Name
Formula / Structure
ExactMass
ID
3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)bu...
6 spectra
C11H11N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
233.08000
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU038751
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU038752
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU038753
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU038754
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU038755
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU038756
3-Phenoxybenzoic acid
18 spectra
C13H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.06299
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000463
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000465
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000464
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA032658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA032652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA032659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA032653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA032664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA032651
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA032660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA032654
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA032661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA032655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA032662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA032656
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA032663
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA032657
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU200551
3-Phenylpropionic acid
5 spectra
C9H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.06808
LC-ESI-IT; MS2; m/z: 149.1; [M-H]-
MSBNK-Metabolon-MT000037
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001706
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001707
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001708
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001709
3-Phospho-D-glycerate
1 spectrum
C3H7O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
185.99294
LC-ESI-ITFT; MS2; m/z:184.99; NEG
MSBNK-NAIST-KNA00822
3-Pyridinol, pyridin-3-ol, 3-Pyridyl alcohol, 3-Ox...
2 spectra
C5H5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
95.10100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT207640
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT207643
3-Rha(1-2)Ara(1-2)GluA-22-DDMP Soyasaponenol B (NM...
2 spectra
C53H82O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1038.54004
LC-ESI-QTOF; MS
MSBNK-BS-BS001212
LC-ESI-QTOF; MS2; CE:76 eV; [M-H]-
MSBNK-BS-BS001211
3-Rha(1-2)Gal(1-2)GluA-Soyasaponenol B (NMR)
2 spectra
C48H78O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
942.51880
LC-ESI-QTOF; MS
MSBNK-BS-BS001020
LC-ESI-QTOF; MS2; CE:52 eV; [M-H]-
MSBNK-BS-BS001019
3-Rha(1-2)Gal(1-2)GluA-Soyasaponenol E (NMR)
3 spectra
C48H76O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
940.50317
LC-ESI-QTOF; MS
MSBNK-BS-BS001128
LC-ESI-QTOF; MS2; CE:52 eV; [M-H]-
MSBNK-BS-BS001130
LC-ESI-QTOF; MS2; CE:53 eV; [M-H]-
MSBNK-BS-BS001129
3-Rha-7-Rha Kaempferol (NMR)
2 spectra
C27H30O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
578.16357
LC-ESI-QTOF; MS
MSBNK-BS-BS001024
LC-ESI-QTOF; MS2; CE:45 eV; [M-H]-
MSBNK-BS-BS001025
3-Rha-7-Rha Quercetin (NMR)
2 spectra
C27H30O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.15851
LC-ESI-QTOF; MS
MSBNK-BS-BS001027
LC-ESI-QTOF; MS2; CE:38 eV; [M-H]-
MSBNK-BS-BS001026
3-Rha-Ara-GlcUA-Soyasapogenol B
6 spectra
C47H76O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
912.50830
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003404
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003405
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS003406
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003407
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
MSBNK-BS-BS003408
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003409
3-Rha-Gal-GluA-22-DDMP Soyasaponenol B (NMR)
4 spectra
C54H84O21
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1068.55054
LC-ESI-QTOF; MS
MSBNK-BS-BS001106
LC-ESI-QTOF; MS
MSBNK-BS-BS001107
LC-ESI-QTOF; MS2; CE:58 eV; [M-H]-
MSBNK-BS-BS001108
LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
MSBNK-BS-BS001105
3-tert-Butylphenol
3 spectra
C10H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.10446
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002139
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002138
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002137
3-Thiatetradecanoic acid
8 spectra
C13H26O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.16534
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000708
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000707
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000706
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU015451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU015452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU015453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU015454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU015455
3-Trifluoromethyl-4-nitrophenol
6 spectra
C7H4F3NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.01430
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU115651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU115652
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU115653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU115654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU115655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU115656
3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamin...
4 spectra
C15H16N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.11609
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01574
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01581
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01588
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80361
33FTA
7 spectra
C6H5F7O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.01778
LC-ESI-QQ; MS
MSBNK-PFOS_research_group-FFF00372
LC-ESI-QQ; MS2; CE10; [M-H]-
MSBNK-PFOS_research_group-FFF00373
LC-ESI-QQ; MS2; CE20; [M-H]-
MSBNK-PFOS_research_group-FFF00374
LC-ESI-QQ; MS2; CE30; [M-H]-
MSBNK-PFOS_research_group-FFF00375
LC-ESI-QQ; MS2; CE40; [M-H]-
MSBNK-PFOS_research_group-FFF00376
LC-ESI-QQ; MS2; CE50; [M-H]-
MSBNK-PFOS_research_group-FFF00377
LC-ESI-QQ; MS2; CE60; [M-H]-
MSBNK-PFOS_research_group-FFF00378
3a,4b,12a-Trihydroxy-5b-cholan-24-oic acid
4 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-TOF; MS; Negative; Orifice voltage -120 V
MSBNK-Nihon_Univ-NU000429
LC-ESI-TOF; MS; Negative; Orifice voltage -30 V
MSBNK-Nihon_Univ-NU000426
LC-ESI-TOF; MS; Negative; Orifice voltage -60 V
MSBNK-Nihon_Univ-NU000427
LC-ESI-TOF; MS; Negative; Orifice voltage -90 V
MSBNK-Nihon_Univ-NU000428
3a,4b,7a-Trihydroxy-5b-cholan-24-oic acid
2 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-TOF; MS; NEGATIVE; Orifice voltage -30 V
MSBNK-Nihon_Univ-NU000416
LC-ESI-TOF; MS; NEGATIVE; Orifice voltage -60 V
MSBNK-Nihon_Univ-NU000417
3a,4b-Dihydroxy-5b-cholan-24-oic acid
5 spectra
C24H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.29266
LC-ESI-TOF; MS; Negative; Orifice voltage -120 V
MSBNK-Nihon_Univ-NU000404
LC-ESI-TOF; MS; Negative; Orifice voltage -150 V
MSBNK-Nihon_Univ-NU000405
LC-ESI-TOF; MS; Negative; Orifice voltage -30 V
MSBNK-Nihon_Univ-NU000401
LC-ESI-TOF; MS; Negative; Orifice voltage -60 V
MSBNK-Nihon_Univ-NU000402
LC-ESI-TOF; MS; Negative; Orifice voltage -90 V
MSBNK-Nihon_Univ-NU000403
3a,6a,12a-Trihydroxy-5b-cholan-24-oic acid
5 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-TOF; MS; Orifice voltage -120 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000524
LC-ESI-TOF; MS; Orifice voltage -150 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000525
LC-ESI-TOF; MS; Orifice voltage -30 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000521
LC-ESI-TOF; MS; Orifice voltage -60 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000522
LC-ESI-TOF; MS; Orifice voltage -90 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000523
3a,6a,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
5 spectra
C24H40O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.28250
LC-ESI-TOF; MS; Orifice voltage -120 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000544
LC-ESI-TOF; MS; Orifice voltage -150 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000545
LC-ESI-TOF; MS; Orifice voltage -30 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000541
LC-ESI-TOF; MS; Orifice voltage -60 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000542
LC-ESI-TOF; MS; Orifice voltage -90 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000543
3a,6a,7a-Trihydroxy-5b-cholan-24-oic acid
5 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-TOF; MS; Orifice voltage -60 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000482
LC-ESI-TOF; MS; Orifice voltage -120 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000484
LC-ESI-TOF; MS; Orifice voltage -150 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000485
LC-ESI-TOF; MS; Orifice voltage -30 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000481
LC-ESI-TOF; MS; Orifice voltage -90 V; Negative; In-suorce decay
MSBNK-Nihon_Univ-NU000483
3a,6a,7b,12a-(OH)4-5a-cholanic acid
3 spectra
C24H40O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.28250
LC-ESI-TOF; MS; NEGATIVE; In source decay -120 V
MSBNK-Nihon_Univ-NU000604
LC-ESI-TOF; MS; NEGATIVE; In source decay -150 V
MSBNK-Nihon_Univ-NU000605
LC-ESI-TOF; MS; NEGATIVE; In source decay -90 V
MSBNK-Nihon_Univ-NU000603
3a,6a,7b,12a-Tetrahydroxy-5b-cholan-24-oic acid
2 spectra
C24H40O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.28250
LC-ESI-TOF; MS; NEGATIVE; In source decay -60 V
MSBNK-Nihon_Univ-NU000557
LC-ESI-TOF; MS; NEGATIVE; In-source decay -90 V
MSBNK-Nihon_Univ-NU000558
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