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Name
Formula / Structure
ExactMass
ID
beta-BHC
1 spectrum
C6H6Cl6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.86008
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01056
beta-Carotene
3 spectra
C40H56
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
536.43817
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; COLLISION_ENERGY 20 eV.
MSBNK-MSSJ-MSJ00138
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; COLLISION_ENERGY 30 eV.
MSBNK-MSSJ-MSJ00139
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; COLLISION_ENERGY 5 V.
MSBNK-MSSJ-MSJ00137
beta-Chlorfenvinphos
1 spectrum
C12H14Cl3O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
357.96954
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01057
beta-Zeacarotene
1 spectrum
C40H58
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
538.45386
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; COLLISION_ENERGY 20 eV.
MSBNK-MSSJ-MSJ00140
Betaine
7 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00821
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00822
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00823
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00824
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00825
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00826
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00820
Butyl 2,4-dichlorophenoxyacetate
1 spectrum
C12H14Cl2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.03201
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01036
Celaxanthin
1 spectrum
C40H54O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
550.41748
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 eV.
MSBNK-MSSJ-MSJ00154
Chlorpyrifos
2 spectra
C9H11Cl3NO3PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
348.92627
ESI-ITFT; MS2; [M+H]+
MSBNK-MSSJ-MSJ00016
ESI-ITFT; MS; Positive
MSBNK-MSSJ-MSJ00015
Cinnamtannin A3
1 spectrum
C75H62O30
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1442.33264
LC-ESI-QTOF; MS2; [M+H]+
MSBNK-MSSJ-MSJ00013
Citric acid
7 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-Q; MS; POSITIVE; 4 TMS-derivative
MSBNK-MSSJ-MSJ00682
GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
MSBNK-MSSJ-MSJ00700
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
MSBNK-MSSJ-MSJ00743
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
MSBNK-MSSJ-MSJ00749
GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
MSBNK-MSSJ-MSJ00721
GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+
MSBNK-MSSJ-MSJ00723
GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00719
Citric acid-[1,2,3,4,5,6-13C6]
6 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-Q; MS; POSITIVE; 4 TBDMS-derivative
MSBNK-MSSJ-MSJ00705
GC-EI-Q; MS; POSITIVE; 4TMS-derivative
MSBNK-MSSJ-MSJ00686
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
MSBNK-MSSJ-MSJ00748
GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-118]+
MSBNK-MSSJ-MSJ00722
GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-208]+
MSBNK-MSSJ-MSJ00724
GC-EI-QQ; MS2; POSITIVE; CID; 4 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00720
Citric acid-[1,5-13C2]
3 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-Q; MS; POSITIVE; 4 TBDMS-derivative
MSBNK-MSSJ-MSJ00704
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
MSBNK-MSSJ-MSJ00747
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
MSBNK-MSSJ-MSJ00753
Citric acid-[1-13C]
4 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
MSBNK-MSSJ-MSJ00701
GC-EI-Q; MS; POSITIVE; 4TMS-derivative
MSBNK-MSSJ-MSJ00683
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
MSBNK-MSSJ-MSJ00744
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
MSBNK-MSSJ-MSJ00750
Citric acid-[5-13C]
4 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
MSBNK-MSSJ-MSJ00702
GC-EI-Q; MS; POSITIVE; 4TMS-derivative
MSBNK-MSSJ-MSJ00684
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
MSBNK-MSSJ-MSJ00745
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
MSBNK-MSSJ-MSJ00751
Citric acid-[6-13]
1 spectrum
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02701
GC-EI-Q; MS; POSITIVE; 4TMS-derivative
MSBNK-MSSJ-MSJ00685
Citric acid-[6-13C]
3 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-Q; MS; POSITIVE; 4 TBDMS-derivative
MSBNK-MSSJ-MSJ00703
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
MSBNK-MSSJ-MSJ00746
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-292]+
MSBNK-MSSJ-MSJ00752
Crassostreaxanthin A
2 spectra
C40H54O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
598.40222
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 V.
MSBNK-MSSJ-MSJ00155
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+Na]+; COLLISION_ENERGY 20 V.
MSBNK-MSSJ-MSJ00156
Crassostreaxanthin B
3 spectra
C40H54O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
598.40222
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 V.
MSBNK-MSSJ-MSJ00157
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+Na]+; COLLISION_ENERGY 20 V.
MSBNK-MSSJ-MSJ00158
LC-ESI-QTOF; MS; POSITIVE; ESI.
MSBNK-MSSJ-MSJ00159
Creatinine
15 spectra
C4H7N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
113.05890
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00468
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 15 V
MSBNK-MSSJ-MSJ00469
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00470
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00471
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00472
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00473
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00474
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00461
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00462
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00463
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00464
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00465
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00466
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00467
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00460
Cumyluron
16 spectra
C17H19ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.11859
ESI-QTOF; MS2; NEGATIVE; [M-H]-; 37Cl-isotopolog ion; CID; 20 V
MSBNK-MSSJ-MSJ00233
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00227
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00228
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00229
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00230
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00231
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSBNK-MSSJ-MSJ00232
ESI-QTOF; MS2; POSITIVE; [M+H]+; 37Cl-isotopolog ion; CID; 30 V
MSBNK-MSSJ-MSJ00225
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00219
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00220
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00221
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00222
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00223
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 80 V
MSBNK-MSSJ-MSJ00224
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00226
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00218
Cyanoguanidine
13 spectra
C2H4N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
84.04358
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02177
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02178
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02179
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02180
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02181
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02170
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02171
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02172
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02173
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02174
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02175
ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02176
ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02169
Cyanophenylguanidine
14 spectra
C8H8N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.07487
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02190
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02191
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02192
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02193
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02194
ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02195
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02183
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02184
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02185
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02186
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02187
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02188
ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02189
ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02182
Cycloate
7 spectra
C11H21NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.13438
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02262
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02263
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02264
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02265
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02266
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02267
LC-ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02261
Cyclohexane
1 spectrum
C6H12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
84.09390
CI-Q; MS; Positive; Reactant ion NO+
MSBNK-MSSJ-MSJ00086
d-alpha-BHC
1 spectrum
C6H6Cl6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.86008
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01054
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