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98,525 Hit.
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Name
Formula / Structure
ExactMass
ID
1-O-beta-D-Glucopyranosyl sinapate
2 spectra
C17H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.12131
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR101004
1-O-Caffeoylquinic acid
1 spectrum
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.31100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000304
1-O-hexadecyl-2-C-methyl-3-phosphatidylcholine
1 spectrum
C25H54NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
495.36887
LC-ESI-ITFT; MS2; HCD; CE 30 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000694
1-O-Hexyl-2,3,5-trimethylhydroquinone
3 spectra
C15H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.17763
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000710
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000711
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000709
1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosy...
11 spectra
C17H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.35300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118105
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118106
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118107
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118108
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118109
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118110
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS118111
1-octadecanoyl-rac-glycerol
5 spectra
C21H42O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
358.30829
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N106432_3B51
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N106418_9EE2
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N106432_D0B8
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N106431_187B
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N106418_2347
1-octadecanoyl-sn-glycero-3-phosphocholine
12 spectra
C26H54NO7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
523.36377
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N105931_3B51
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N105906_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N105916_9EE2
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-CH3]-
MSBNK-Antwerp_Univ-METOX_N105958_4D57
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N105931_D0B8
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N105906_EF88
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N105916_CC60
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-CH3]-
MSBNK-Antwerp_Univ-METOX_N105956_63A5
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N105931_187B
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N105906_FB57
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N105916_2347
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-CH3]-
MSBNK-Antwerp_Univ-METOX_N105957_5CB7
1-Octadecanoyl-sn-glycero-3-phosphocholine
2 spectra
C26H54NO7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
523.36377
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00186
MALDI-QITTOF; MS2; POSITIVE; [M+H]+; RID
MSBNK-MSSJ-MSJ00190
1-octadecenoyl-rac-glycerol
9 spectra
C21H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
356.29269
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N106533_3B51
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N106518_9EE2
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N106512_E098
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N106533_D0B8
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N106518_CC60
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H2O+H]+
MSBNK-Antwerp_Univ-METOX_N106512_1273
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N106532_187B
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+HCOOH-H]-
MSBNK-Antwerp_Univ-METOX_N106554_5C2A
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N106518_2347
1-Octyl-2-pyrrolidone
3 spectra
C12H23NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.17796
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000067
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000068
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000069
1-Oleoylglycerophosphocholine
1 spectrum
[C26H53NO7P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
522.35596
LC-ESI-IT; MS2; m/z: 522.4; [M]+
MSBNK-Metabolon-MT000088
1-Oxo-ibuprofen
16 spectra
C13H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.10989
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311107118
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311107119
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311107120
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311107110
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311107111
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311107125
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311107113
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311107116
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311107122
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107112
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107114
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311107124
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311107115
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311107117
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311107121
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311107123
1-Palmitoyl-2-glutaryl-sn-glycero-3-phosphocholine
32 spectra
C29H56NO10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
609.36420
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111015130
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111015356
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111015125
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111015349
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111015135
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111015351
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111015123
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111015352
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111015132
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111015343
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111015136
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111015350
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111015122
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111015345
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111015129
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111015344
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111015133
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111015353
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015127
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015134
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015347
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111015354
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111015128
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111015357
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111015126
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111015348
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111015131
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111015355
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111015137
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111015358
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111015124
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111015346
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...
3 spectra
C21H44NO7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
453.28549
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP026101
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP026102
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP026103
1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethano...
3 spectra
C39H73O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
700.50427
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N110126_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N110127_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N110127_9C9C
1-Palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerol
1 spectrum
C55H100O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
856.75201
MALDI-TOFTOF; MS2; CE: 20kV; [M+Na]+
MSBNK-JEOL_Ltd-JEL00004
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
1 spectrum
C42H82NO8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
759.57782
MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
MSBNK-JEOL_Ltd-JEL00005
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanol
3 spectra
C39H75O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
702.52002
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108026_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108026_B8BB
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N108026_9C9C
1-Palmitoylglycerophosphocholine
1 spectrum
[C24H51NO7P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
496.34030
LC-ESI-IT; MS2; m/z: 496.4; [M]+
MSBNK-Metabolon-MT000099
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...
3 spectra
C23H48NO7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
481.31680
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP025901
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP025902
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP025903
1-Phenyl-2-butanone
5 spectra
C10H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.08881
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506601
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506602
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506603
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506604
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU506605
1-Phenyl-2-thiourea
12 spectra
C7H8N2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04080
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU093501
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU093551
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU093502
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU093552
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU093503
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU093553
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU093504
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU093554
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU093505
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU093555
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU093506
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU093556
1-Phenyltetrazole-5-thiol
3 spectra
C7H6N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.03131
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000691
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000693
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000692
1-Piperazineethanol
3 spectra
C6H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.11061
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001801
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001800
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001802
1-Pyrenemethanol
2 spectra
C17H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.08900
LC-APCI-ITFT; MS2; CE:35;
MSBNK-CASMI_2012-SMI00111
LC-APCI-ITFT; MS2; CE:35;
MSBNK-CASMI_2012-SMI00112
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