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Ion Mode:
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14,058 Hit.
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Name
Formula / Structure
ExactMass
ID
(+)-(4,6-O-Benzylidene)methyl-alpha-D-glucopyranos...
1 spectrum
C14H18O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.11035
LC-ESI-QTOF; MS; NEGATIVE
BML80031
(+)-Catechin
1 spectrum
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.07904
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100687
(+)-Epicatechin
1 spectrum
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.07904
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100688
(+)-Usnic acid
2 spectra
C18H16O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.08960
LC-APCI-QTOF; MS; NEGATIVE
BML80048
LC-ESI-QTOF; MS; NEGATIVE
BML80046
(+-)-Baclofen
1 spectrum
C10H12ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.05566
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100486
(+/-)-Catechin
4 spectra
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.07904
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00626
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00630
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00634
LC-ESI-QTOF; MS; NEGATIVE
BML80051
(+/-)-cis,trans-abscisic acid
2 spectra
C15H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.13617
LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-
PR020172
LC-ESI-QQ; MS2; CE:5.0 eV; [M-H]-
PR020171
(-)-Bilobalide
5 spectra
C15H18O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.10016
LC-APCI-QTOF; MS; NEGATIVE
BML80013
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00546
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00554
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00562
LC-ESI-QTOF; MS; NEGATIVE
BML80011
(-)-Citramalic acid
1 spectrum
C5H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.03717
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100770
(-)-Epicatechin
6 spectra
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.07904
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100689
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
FIO00072
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
FIO00073
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
FIO00074
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
FIO00075
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
FIO00076
(-)-Epigallocatechin gallate
3 spectra
C22H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
458.08490
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
RP017911
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
RP017912
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
RP017913
(-)-Epinephrine
5 spectra
C9H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.08954
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000734
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000735
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000736
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000737
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000738
(-)-Riboflavin
1 spectrum
C17H20N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.13828
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100856
(-)-Shikimic acid
6 spectra
C7H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.05283
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001789
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001790
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001791
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001792
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001793
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100485
(-)-epigallocatechin
1 spectrum
C15H14O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.07401
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
ML000151
(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopen...
3 spectra
C27H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
444.28757
LC-APCI-QTOF; MS; NEGATIVE
BML80063
LC-ESI-QTOF; MS2; CE 10 ev; [M+CH3COOH-H]-
BML00047
LC-ESI-QTOF; MS; NEGATIVE
BML80061
(2R)-2-Hydroxybut-3-enylglucosinolate
1 spectrum
C11H19NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.04504
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K-2H]-
PR100884
(2S)-2-Hydroxybut-3-enylglucosinolate
1 spectrum
C11H19NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.04504
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K-2H]-
PR100885
(3R,4S)-3-Amino-4-methylhexanoic acid
1 spectrum
C7H15NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.11028
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100781
(3S)-3,7-diaminoheptanoic acid
1 spectrum
C7H16N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.12119
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100713
(4-chloro-2-methylphenoxy)acetic acid
1 spectrum
C9H9ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.02400
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
ML000251
(5a,6b)-6-Hydroxycholan-24-oic acid
2 spectra
C24H40O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.29776
LC-ESI-TOF; MS; NEGATIVE; In source decay -120 V
NU000569
LC-ESI-TOF; MS; NEGATIVE; In source decay -90 V
NU000568
(Aminomethyl)phosphonic acid
5 spectra
CH6NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.00853
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000305
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000306
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000307
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000308
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000309
(Methylthio)acetic acid
5 spectra
C3H6O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
106.00885
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001497
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001498
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001499
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001500
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001501
(R)-(-)-Phenylephrine
5 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.09464
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001646
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001647
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001648
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001649
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001650
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mass calculator
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mass calculator
user manual