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Compound Name:
R
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Name
Formula / Structure
ExactMass
ID
R-(-)-1-Amino-2-propanol
1 spectrum
C3H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
75.06841
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010230
R-(-)-Carvone
2 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_AGILENT002470
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002469
R-2-Hydroxy-3-butenyl glucosinolate
1 spectrum
C11H19NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.04504
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020082
R-3-Amino-5-(methylthio)pentanoic acid
2 spectra
C6H13NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.06670
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100282
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100714
R-3-Amino-5-(methylthio)pentanoic acid hydrochlori...
6 spectra
C6H13NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
163.24001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS060901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS060902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS060903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS060904
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS060905
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS060906
R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium...
3 spectra
C5H11O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.11099
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS022302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS022303
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS022307
R-Deprenyl N-Oxide
12 spectra
C13H17NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.13101
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ346107
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ346108
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ346101
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ346109
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ346102
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ346103
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ346104
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ346105
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ346106
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU211703
rac-(2R,3S,5R)-5-(But-3-en-1-yl)-3-acetoxy-2-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02080
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02081
rac-(2R,5R)-2-((S)-2-acetoxybut-3-en-1-yl)-5-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02082
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02083
rac-(2S,3S,5S)-5-(But-3-en-1-yl)-3-acetoxy-2-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02084
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02085
rac-(2S,5S)-2-((S)-2-Acetoxybut-3-en-1-yl)-5-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02086
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02087
rac-(3R,5S)-Nona-1,8-diene-3,5-diol
2 spectra
C9H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.11504
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02078
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02079
rac-(S)-1-((2R,5R)-5-(Hydroxymethyl)tetrahydrofura...
2 spectra
C9H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.10995
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02088
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02089
rac-(S)-1-((2S,5S)-5-(Hydroxymethyl)tetrahydrofura...
2 spectra
C9H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.10995
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02090
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02091
rac-B-tocopherol, 5,8-dimethyltocol, beta-tocopher...
2 spectra
C28H48O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.69000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS077101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS077104
rac-Glycerol 3-phosphoate
3 spectra
C3H9O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.01367
GC-EI-TOF; MS; 4 TMS; BP:101
MSBNK-Kazusa-KZ000210
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010231
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100603
RACEMETHORPHAN
1 spectrum
C18H25NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.19360
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004099
Ractopamine
1 spectrum
C18H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.16779
LC-ESI-QTOF; MS2; CE: Ramp 21.6-32.5 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU110301
Radicicol
12 spectra
C18H17ClO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.07141
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003876
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003407
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003877
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003408
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003878
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003409
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003879
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003410
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003880
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003411
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003881
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003412
Raffinose
4 spectra
C18H32O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
504.44611
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00979
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00978
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00977
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00980
Raloxifene
26 spectra
C28H27NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
473.16608
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002387
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002388
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002384
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002385
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002386
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002389
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU023601
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU023651
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU023602
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU023652
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM853603
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM853653
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU023603
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU023653
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU023604
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU023654
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU023605
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU023655
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU023606
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU023656
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU275401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU275402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU275403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU275404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU275405
LC-ESI-QTOF; MS2; CE: Ramp 25.1-37.6 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU275406
Ramipril
32 spectra
C23H32N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.23111
LC-ESI-FT; MS2; CE: 20,40,130%; R=30000; [M+H]+
MSBNK-UoB-XB000600
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001883
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001882
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001881
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001880
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001879
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001878
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111010364
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011277
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111010362
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111010367
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111010363
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111010358
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111010353
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111010354
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111010356
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011280
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111010360
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011278
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010359
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111010361
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011276
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011279
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111010368
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011273
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111010366
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011275
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111010355
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011274
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111010357
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011272
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111010365
RAN-dm
9 spectra
C12H20N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.12561
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300107
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300101
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300108
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300109
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300102
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300103
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300104
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300105
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag_Additional_Specs-ET300106
Ranitidine
104 spectra
C13H22N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.14127
LC-ESI-IT; MS2; m/z: 315; [M+H]+
MSBNK-Keio_Univ-KO009222
LC-ESI-IT; MS3; m/z: 315/124; [M+H]+
MSBNK-Keio_Univ-KO009226
LC-ESI-IT; MS3; m/z: 315/176; [M+H]+
MSBNK-Keio_Univ-KO009225
LC-ESI-IT; MS3; m/z: 315/224; [M+H]+
MSBNK-Keio_Univ-KO009224
LC-ESI-IT; MS3; m/z: 315/270; [M+H]+
MSBNK-Keio_Univ-KO009223
LC-ESI-IT; MS4; m/z: 315/176/130; [M+H]+
MSBNK-Keio_Univ-KO009229
LC-ESI-IT; MS4; m/z: 315/224/181; [M+H]+
MSBNK-Keio_Univ-KO009228
LC-ESI-IT; MS4; m/z: 315/224/191; [M+H]+
MSBNK-Keio_Univ-KO009227
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA019608
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA019658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA019602
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA019652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA019609
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA019659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA019603
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA019653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA019614
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA019664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA019601
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA019651
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF412103
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA019610
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA019660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA019604
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA019654
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF412101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF412104
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA019611
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA019661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA019605
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA019655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA019612
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA019662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA019606
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA019656
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF412102
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA019613
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA019607
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA019657
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002479
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002478
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002477
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002476
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002475
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002474
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU041401
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU041451
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU041402
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU041452
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU041403
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU041453
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU041454
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU041405
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU041455
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU041406
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU041456
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003962
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001775
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003963
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001776
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003964
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001777
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003965
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001778
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003966
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001779
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311091365
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311093975
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311091355
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311093974
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311091370
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311093962
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311091363
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311093972
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311091368
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311093976
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311091356
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311093965
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311091361
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311093964
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311091359
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311093971
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311091366
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311093966
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091358
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091362
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093967
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093973
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311091369
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311093968
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311091364
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311093970
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311091357
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311093961
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311091360
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311093969
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311091367
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311093963
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU111506
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU111502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU111503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU111504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU111505
LC-ESI-QTOF; MS2; CE: Ramp 21.9-32.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU111501
Ranitidine N-oxide
16 spectra
C13H22N4O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
330.13620
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA273808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA273802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA273809
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA273803
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA273853
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA273814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA273801
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA273851
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA273810
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA273804
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA273811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA273805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA273812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA273806
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA273813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA273807
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