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Name
Formula / Structure
ExactMass
ID
alpha-Tocopherol
3 spectra
C29H50O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
430.38107
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00167
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00169
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; CE 10
MSBNK-MSSJ-MSJ00168
Alprazolam
6 spectra
C17H13ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.08286
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01511
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01512
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01513
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01514
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01515
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01510
Amantadine
6 spectra
C10H17N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.13609
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01826
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01827
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01828
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01829
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01830
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01825
Amarouciaxanthin A
4 spectra
C40H54O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
614.39716
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 V
MSBNK-MSSJ-MSJ00150
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+Na]+; COLLISION_ENERGY 20 eV.
MSBNK-MSSJ-MSJ00151
LC-ESI-QTOF; MS2; POSITIVE; ESI; M+; COLLISION_ENERGY 20 eV.
MSBNK-MSSJ-MSJ00153
LC-ESI-QTOF; MS; POSITIVE; ESI
MSBNK-MSSJ-MSJ00152
Ametryn
1 spectrum
C9H17N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.12047
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01077
Amezinium
6 spectra
[C11H12N3O]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.09747
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M]+
MSBNK-MSSJ-MSJ01844
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M]+
MSBNK-MSSJ-MSJ01845
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M]+
MSBNK-MSSJ-MSJ01846
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M]+
MSBNK-MSSJ-MSJ01847
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M]+
MSBNK-MSSJ-MSJ01848
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01843
Amino-chlornitrofen
1 spectrum
C12H8Cl3NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.96716
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01038
Amlodipine
12 spectra
C20H25ClN2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.14520
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01838
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01839
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01840
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01841
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01842
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01832
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01833
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01834
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01835
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01836
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01837
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01831
Amobarbital
6 spectra
C11H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.13173
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01856
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01857
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01858
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01859
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01860
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01855
Amoxapine
6 spectra
C17H16ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.09818
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01850
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01851
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01852
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01853
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01854
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01849
Anilofos
8 spectra
C13H19ClNO3PS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
367.02325
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01073
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02929
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02930
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02931
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02932
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02933
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02934
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02928
Antheraxanthin
1 spectrum
C40H56O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
584.42291
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00121
Arachidonic acid
1 spectrum
C20H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.24023
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00047
Arachidonic acid-[5,6,8,9,11,12,14,15-d8]
1 spectrum
C20H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.24023
LC-ESI-QQ; MS2; Negative; [M-H]-
MSBNK-MSSJ-MSJ00048
Astaxanthin
4 spectra
C40H52O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
596.38660
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00122
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ00123
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+Na]+; CE 20 V
MSBNK-MSSJ-MSJ00124
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+Na]+; CE 30 V
MSBNK-MSSJ-MSJ00125
Asymmetric dimethylarginine
13 spectra
C8H18N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.14296
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00351
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00352
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00353
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00354
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00355
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00344
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00345
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00346
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00347
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00348
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00349
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00350
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00343
Atrazine
1 spectrum
C8H14ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.09377
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01072
Avermectin B1a
15 spectra
C48H72O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
872.49219
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02301
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02302
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02303
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02304
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02305
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02306
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02293
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 10 V
MSBNK-MSSJ-MSJ02294
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 20 V
MSBNK-MSSJ-MSJ02295
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 30 V
MSBNK-MSSJ-MSJ02296
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 40 V
MSBNK-MSSJ-MSJ02297
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 50 V
MSBNK-MSSJ-MSJ02298
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 60 V
MSBNK-MSSJ-MSJ02299
LC-ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02300
LC-ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02292
Avermectin B1b
14 spectra
C47H70O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
858.47656
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 10 V
MSBNK-MSSJ-MSJ02315
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 20 V
MSBNK-MSSJ-MSJ02316
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 30 V
MSBNK-MSSJ-MSJ02317
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 40 V
MSBNK-MSSJ-MSJ02318
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 50 V
MSBNK-MSSJ-MSJ02319
LC-ESI-QTOF; MS2; ESI; NEGATIVE; [M-H]-; CE 60 V
MSBNK-MSSJ-MSJ02320
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 10 V
MSBNK-MSSJ-MSJ02308
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 20 V
MSBNK-MSSJ-MSJ02309
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 30 V
MSBNK-MSSJ-MSJ02310
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 40 V
MSBNK-MSSJ-MSJ02311
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 50 V
MSBNK-MSSJ-MSJ02312
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 60 V
MSBNK-MSSJ-MSJ02313
LC-ESI-QTOF; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ02314
LC-ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02307
Azaconazole
1 spectrum
C12H11Cl2N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.02283
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01062
Azamethiophos
7 spectra
C9H10ClN2O5PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.97366
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02873
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02874
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02875
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02876
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02877
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02878
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02872
Azelnidipine
12 spectra
C33H34N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
582.24780
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01820
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01821
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01822
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01823
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01824
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01814
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01815
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01816
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01817
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01818
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01819
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01813
Azinphos-methyl
1 spectrum
C10H12N3O3PS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.00577
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01066
Azoxystrobin
8 spectra
C22H17N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.11682
GC-EI-Q; MS; Positive; M+*
MSBNK-MSSJ-MSJ01070
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02957
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02958
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02959
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02960
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02961
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02962
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02956
Azulene
1 spectrum
C10H8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
128.06261
APCI-Q; MS; Positive; DART
MSBNK-MSSJ-MSJ00082
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