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Compound Name:
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228 Hit.
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Name
Formula / Structure
ExactMass
ID
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00143
Quinine
12 spectra
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00351
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00361
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00371
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML01862
LC-ESI-QTOF; MS; POSITIVE
BML82025
LC-ESI-QTOF; MS; NEGATIVE
BML82026
Quinic acid
8 spectra
C7H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.06339
LC-ESI-QTOF; MS; NEGATIVE
BML82031
LC-APCI-QTOF; MS; NEGATIVE
BML82033
Quinine
12 spectra
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
LC-ESI-QTOF; MS; POSITIVE
BML82035
LC-ESI-QTOF; MS; NEGATIVE
BML82036
LC-APCI-QTOF; MS; POSITIVE
BML82037
Quercitrin
28 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10059
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003203
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
BS003204
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
BS003205
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
BS003206
LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
BS003207
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04269
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
BS003387
LC-ESI-QTOF; MS
BS003388
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
BS003389
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003390
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
BS003391
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003392
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
BS003393
LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
BS003394
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
BS003395
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
BS003396
LC-ESI-QTOF; MS
BS003397
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
BS003398
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
CE000168
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
CE000169
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
CE000170
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
CE000171
Quinmerac
9 spectra
C11H8ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.02435
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ372001
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ372002
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ372003
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ372004
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ372005
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ372006
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ372007
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ372008
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ372009
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO00272
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO00273
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO00274
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
FIO00275
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
FIO00276
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
FIO00277
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
FIO00278
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
FIO00279
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
FIO00280
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
FIO00281
Quinine
12 spectra
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO00327
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO00328
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO00329
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
FIO00330
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
FIO00331
Quercitrin
28 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10056
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO00578
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO00579
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO00580
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
FIO00581
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
FIO00582
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
FIO00583
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
FIO00584
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
FIO00585
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
FIO00586
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
FIO00587
Quinolinic acid
13 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02187
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO00676
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO00677
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO00678
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
FIO00679
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
FIO00680
Quinidine
5 spectra
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO00801
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO00802
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO00803
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
FIO00804
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
FIO00805
Quinine
12 spectra
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+
JEL00038
QUINOLINE
7 spectra
C9H7N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.05785
EI-B; MS
JP000486
EI-B; MS
JP001634
QUINOXALINE
2 spectra
C8H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.05310
EI-B; MS
JP001636
QUINOLINE-2-CARBONITRILE
1 spectrum
C10H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.05310
EI-B; MS
JP003228
QUINOLINE
7 spectra
C9H7N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.05785
EI-B; MS
JP003494
EI-B; MS
JP007402
EI-B; MS
JP008861
QUINOXALINE
2 spectra
C8H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.05310
EI-B; MS
JP009037
QUINOLINE
7 spectra
C9H7N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.05785
EI-B; MS
JP010829
EI-B; MS
JP010830
QUININE
1 spectrum
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
EI-B; MS
JP011912
QUINIDINE
1 spectrum
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
EI-B; MS
JP011914
Quinolinic acid
13 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02187
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001701
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001702
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001703
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001704
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001705
Quisqualic acid
11 spectra
C5H7N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.03857
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001740
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001741
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001742
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001743
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001744
Quinic acid
8 spectra
C7H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.06339
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001745
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001746
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001747
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001748
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001749
Quisqualic acid
11 spectra
C5H7N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.03857
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003947
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003948
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003949
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003950
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003951
Quinoline
5 spectra
C9H7N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.05785
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003952
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003953
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003954
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003955
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003956
Quinolinic acid
13 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02187
GC-EI-TOF; MS; 2 TMS; BP:147
KZ000261
quercetin
1 spectrum
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04269
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
ML005401
quinolin-8-ol
1 spectrum
C9H7NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.05280
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
ML005501
Quercetin 3-O-glucuronide
3 spectra
C21H18O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.07474
LC-ESI-ITTOF; MS
MSJ00036
LC-ESI-ITTOF; MS2
MSJ00037
LC-ESI-ITTOF; MS3
MSJ00038
Quinic acid
8 spectra
C7H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.06339
GC-EI-TOF; MS; n TMS; RT:707.594 sec
OUF00440
Quinolinic acid
13 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02187
GC-EI-TOF; MS; n TMS; RT:659.632 sec
OUF00441
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
PB000181
LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
PB000201
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
PB000202
LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
PB000221
LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
PB002409
LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
PB002410
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
PB002411
LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
PB002412
LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
PB004083
LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
PB004084
LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
PB004085
LC-ESI-QQ; MS2; CE:20 eV; [M-H]-
PB004101
LC-ESI-QQ; MS2; CE:25 eV; [M-H]-
PB004102
LC-ESI-QQ; MS2; CE:30 eV; [M-H]-
PB004103
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
PB006204
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
PB006205
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
PB006206
ESI-TOF; MS2; CE:25 eV; [M-H]-
PN000110
ESI-TOF; MS2; CE:15 eV; [M+H]+
PN000111
Quinolinic acid
13 spectra
C7H5NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.02187
GC-EI-TOF; MS; 2 TMS; BP:147
PR010082
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS
PR020008
Quercetin 3-(6-O-acetyl-beta-glucoside)
8 spectra
C23H22O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
506.10605
LC-ESI-QTOF; MS
PR020077
Quercitrin
28 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10056
LC-ESI-QTOF; MS
PR020079
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M-H]-
PR040049
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [2M-H]-
PR040050
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
PR040051
LC-ESI-QTOF; MS2; CE:30 eV; [2M-H]-
PR040052
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
PR040053
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
PR040054
Quercetin 3-(6-O-acetyl-beta-glucoside)
8 spectra
C23H22O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
506.10605
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR040189
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
PR040190
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR040191
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR040192
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
PR040193
Quercitrin
28 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR040194
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-
PR040195
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
PR040196
LC-ESI-QTOF; MS2; CE:30 V; [2M-H]-
PR040197
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR040198
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR040199
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
PR040200
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H-C6H10O4]+
PR040201
Quisqualic acid
11 spectra
C5H7N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.03857
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100197
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100233
Quercetin 3-(6-O-acetyl-beta-glucoside)
8 spectra
C23H22O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
506.10605
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100255
Quercitrin
28 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100256
Quercetin-3-D-xyloside
2 spectra
C20H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.08490
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100447
Quercetin-3,4'-O-di-beta-glucopyranoside
3 spectra
C27H30O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
626.14832
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100456
Quercetin
58 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.04266
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100646
Quercetin 3-(6-O-acetyl-beta-glucoside)
8 spectra
C23H22O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
506.10605
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100678
Quercitrin
28 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100679
Quercetin-3-D-xyloside
2 spectra
C20H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.08490
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100900
Quercetin-3,4'-O-di-beta-glucopyranoside
3 spectra
C27H30O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
626.14832
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100914
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
PR100915
Quercetin-3-Arabinoside
1 spectrum
C20H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.08490
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100977
Quercetin-3-Glucuronide
1 spectrum
C21H18O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.07474
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100978
Quercetin-3-(6''-malonyl)-Glucoside
1 spectrum
C24H22O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
550.09589
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100979
Quercitrin
28 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100980
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100990
Quercetin-3,7-O-alpha-L-dirhamnopyranoside
2 spectra
C27H30O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.15845
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100991
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
PR100992
Quercetin-7-O-rhamnoside
1 spectrum
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.10056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100993
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