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Compound Name:
R
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1,237 Hit.
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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
PR010230
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
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]+
PR100282
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
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
PS060901
LC-ESI-QQ; MS2
PS060902
LC-ESI-QQ; MS2
PS060903
LC-ESI-QQ; MS2
PS060904
LC-ESI-QQ; MS2
PS060905
LC-ESI-QQ; MS2
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
PS022302
LC-ESI-QQ; MS2
PS022303
LC-ESI-QQ; MS2
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]+
EQ346107
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ346108
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ346101
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ346109
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ346102
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ346103
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ346104
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ346105
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ346106
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU211701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU211702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU211703
RACEMETHORPHAN
1 spectrum
C18H25NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.19360
EI-B; MS
JP004099
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]+
ET300107
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
ET300101
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
ET300108
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
ET300109
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
ET300102
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
ET300103
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
ET300104
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
ET300105
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
ET300106
REL-(1R,5R,11R)-3-(4-NITROPHENYL)-HYDROXYMETHYL-6,...
1 spectrum
C14H11NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
289.05865
EI-B; MS
JP011002
RESERPINE
1 spectrum
C33H40N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
608.27338
EI-B; MS
JP003749
RESORCINOL
1 spectrum
C6H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
110.03678
EI-B; MS
JP003647
RESORCINOL DIMETHYL ETHER
1 spectrum
C8H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.06808
EI-B; MS
JP009319
RIVAROXABAN
1 spectrum
C19H18ClN3O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
435.06558
ESI-QTOF; MS2; CE 23eV; [M+H]+
UPA00012
ROBUSTIC ACID
1 spectrum
C22H20O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
380.12598
EI-B; MS
JP001230
ROSUVASTATIN
1 spectrum
C22H28FN3O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
481.16827
ESI-QTOF; MS2; CE 18 eV; [M-H]-
UPA00013
ROTIORIN
1 spectrum
C23H24O5
380.16238
EI-B; MS
JP003239
RUBRATOXIN B
1 spectrum
C26H30O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
518.17883
EI-B; MS
JP002972
RUBRATOXIN B TRIACETATE
1 spectrum
C32H36O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
644.21051
EI-B; MS
JP002973
RUTIN
1 spectrum
C27H30O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.15338
EI-B; MS
JP000631
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]+
AU110301
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]+
NGA00979
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
NGA00978
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
NGA00977
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
NGA00980
Raloxifene
8 spectra
C28H27NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
473.16608
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM853603
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM853653
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU275401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU275402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU275403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU275404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU275405
LC-ESI-QTOF; MS2; CE: Ramp 25.1-37.6 eV; R=35000; [M+H]+
AU275406
Ramipril
6 spectra
C23H32N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.23111
LC-ESI-Q; MS; NEG; 30 V
WA001883
LC-ESI-Q; MS; POS; 15 V
WA001882
LC-ESI-Q; MS; POS; 30 V
WA001881
LC-ESI-Q; MS; POS; 45 V
WA001880
LC-ESI-Q; MS; POS; 60 V
WA001879
LC-ESI-Q; MS; POS; 75 V, 90 V
WA001878
Ranitidine
61 spectra
C13H22N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.14127
LC-ESI-IT; MS2; m/z: 315; [M+H]+
KO009222
LC-ESI-IT; MS3; m/z: 315/124; [M+H]+
KO009226
LC-ESI-IT; MS3; m/z: 315/176; [M+H]+
KO009225
LC-ESI-IT; MS3; m/z: 315/224; [M+H]+
KO009224
LC-ESI-IT; MS3; m/z: 315/270; [M+H]+
KO009223
LC-ESI-IT; MS4; m/z: 315/176/130; [M+H]+
KO009229
LC-ESI-IT; MS4; m/z: 315/224/181; [M+H]+
KO009228
LC-ESI-IT; MS4; m/z: 315/224/191; [M+H]+
KO009227
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA019608
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA019658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA019602
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA019652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA019609
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA019659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA019603
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA019653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA019614
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA019664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA019601
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA019651
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF412103
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA019610
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA019660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA019604
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA019654
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF412101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF412104
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA019611
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA019661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA019605
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA019655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA019612
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA019662
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA019606
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA019656
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF412102
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA019613
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA019607
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA019657
LC-ESI-Q; MS; NEG; 30 V
WA002479
LC-ESI-Q; MS; POS; 15 V
WA002478
LC-ESI-Q; MS; POS; 30 V
WA002477
LC-ESI-Q; MS; POS; 45 V
WA002476
LC-ESI-Q; MS; POS; 60 V
WA002475
LC-ESI-Q; MS; POS; 75 V, 90 V
WA002474
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003962
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001775
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003963
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001776
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003964
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001777
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003965
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001778
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003966
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001779
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU111506
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU111502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU111503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU111504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU111505
LC-ESI-QTOF; MS2; CE: Ramp 21.9-32.9 eV; R=35000; [M+H]+
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]+
EA273808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA273802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA273809
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA273803
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA273853
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA273814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA273801
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA273851
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA273810
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA273804
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA273811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA273805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA273812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA273806
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA273813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA273807
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