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LC-ESI-QQ
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9,615 Hit.
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Name
Formula / Structure
ExactMass
ID
Chlordiazepoxide
12 spectra
C16H14ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.08252
LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01612
LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01613
LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01614
LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01615
LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01616
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01606
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01607
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01608
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01609
LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01610
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01611
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01605
Chloridazon
4 spectra
C10H8ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.03558
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000060
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000061
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000062
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000063
Chlorogenate, Caffetannic Acid, Chlorogenic acid H...
10 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.31100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063604
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063605
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063608
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063609
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063610
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063611
Chlorogenic acid
11 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.31100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000301
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002577
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000466
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002578
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000467
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002579
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000468
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002580
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000469
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002581
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000470
Chlorpheniramine
6 spectra
C16H19ClN2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.12366
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ03019
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ03020
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ03021
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ03022
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ03023
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ03018
Chlorzoxazone
11 spectra
C7H4ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.99306
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000451
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000452
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000453
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000454
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000455
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ03013
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ03014
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ03015
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ03016
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ03017
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ03012
Cholic acid
10 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000461
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000495
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000462
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000496
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000463
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000497
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000464
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000498
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000465
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000499
Choline
2 spectra
[C5H14NO]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.10754
LC-ESI-QQ; MS2; CE:20 eV; M+
MSBNK-IPB_Halle-PB001602
LC-ESI-QQ; MS2; CE:25 eV; M+
MSBNK-IPB_Halle-PB001603
Chromafenozide
4 spectra
C24H30N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
394.22565
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000052
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000053
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000054
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000055
Cianidanol
6 spectra
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.27100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045507
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045508
Ciliatine
10 spectra
C2H8NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.02418
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002168
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000108
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002169
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000109
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002170
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000110
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002171
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000111
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002172
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000112
Cimetidine
10 spectra
C10H16N6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.11572
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002632
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000544
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002633
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000545
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002634
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000546
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002635
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000547
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002636
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000548
Ciprofloxacin
5 spectra
C17H18FN3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.13321
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002612
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002613
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002614
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002615
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002616
Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hespe...
6 spectra
C28H34O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.56500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS084907
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS084908
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS084909
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS084910
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS084911
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS084912
cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-He...
4 spectra
C6H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.11000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS064607
cis,cis-Muconic acid
5 spectra
C6H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.02661
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001472
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001473
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001474
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001475
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001476
cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)...
4 spectra
C15H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.37199
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS087604
cis-4-Hydroxyproline
9 spectra
C5H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.05824
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003113
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001057
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003114
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001058
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003115
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001059
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003116
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001060
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003117
cis-9-Hexadecenoic acid, Palmitolinoleic acid, Pal...
2 spectra
C16H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.41400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS056601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS056602
cis-Aconitic acid
5 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.01643
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000047
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000048
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000049
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000050
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000051
cis-Aconitic acid, Achilleaic acid, cis-Propene-1,...
3 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS004608
cis-Zeatin
3 spectra
C10H13N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.11201
LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+
MSBNK-RIKEN-PR020089
LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+
MSBNK-RIKEN-PR020090
LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+
MSBNK-RIKEN-PR020091
cis-Zeatin riboside
3 spectra
C15H21N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
351.15427
LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+
MSBNK-RIKEN-PR020096
LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+
MSBNK-RIKEN-PR020097
LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+
MSBNK-RIKEN-PR020098
Citraconic acid
5 spectra
C5H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.02661
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000430
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000431
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000432
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000433
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000434
Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, ...
5 spectra
C5H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.09900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075408
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