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1,454 Hit.
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Name
Formula / Structure
ExactMass
ID
Poricoic acid B
14 spectra
C30H44O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
484.31888
ESI-QTOF; MS2; NEGATIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00388
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00384
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00385
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00386
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00387
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00389
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00377
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00378
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00379
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00380
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00381
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00382
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00383
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00376
Pretilachlor
8 spectra
C17H26ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.16519
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00265
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00266
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00267
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00268
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00269
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 80 V
MSBNK-MSSJ-MSJ00270
ESI-QTOF; MS2; POSITIVE; [M+H]+; Isotopomer, CID; 30 V
MSBNK-MSSJ-MSJ00271
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00264
Pyraclonil
8 spectra
C15H15ClN6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.10461
ESI-QTOF; MS2; POSITIVE; [M+H]+; 37Cl-isotopolog ion; CID; 30 V
MSBNK-MSSJ-MSJ00207
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00201
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00202
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00203
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00204
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00205
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 80 V
MSBNK-MSSJ-MSJ00206
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00200
Pyrrhoxanthinol
1 spectrum
C37H46O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.33453
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 20 V
MSBNK-MSSJ-MSJ00149
Quercetin 3-O-glucuronide
3 spectra
C21H18O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.07474
LC-ESI-ITTOF; MS
MSBNK-MSSJ-MSJ00036
LC-ESI-ITTOF; MS2
MSBNK-MSSJ-MSJ00037
LC-ESI-ITTOF; MS3
MSBNK-MSSJ-MSJ00038
Quinoclamine
15 spectra
C10H6ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.00870
ESI-QTOF; MS2; NEGATIVE; [M-H]-; 37Cl-isotopolog ion; CID; 20 V
MSBNK-MSSJ-MSJ00263
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00257
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00258
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00259
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00260
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00261
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSBNK-MSSJ-MSJ00262
ESI-QTOF; MS2; POSITIVE; [M+H]+; 37Cl-isotopolog ion; CID; 30 V
MSBNK-MSSJ-MSJ00255
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00249
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00250
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00251
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00252
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00253
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 80 V
MSBNK-MSSJ-MSJ00254
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00256
rac-(2R,3S,5R)-5-(But-3-en-1-yl)-3-acetoxy-2-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02080
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02081
rac-(2R,5R)-2-((S)-2-acetoxybut-3-en-1-yl)-5-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02082
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02083
rac-(2S,3S,5S)-5-(But-3-en-1-yl)-3-acetoxy-2-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02084
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02085
rac-(2S,5S)-2-((S)-2-Acetoxybut-3-en-1-yl)-5-(acet...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02086
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02087
rac-(3R,5S)-Nona-1,8-diene-3,5-diol
2 spectra
C9H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.11504
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02078
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02079
rac-(S)-1-((2R,5R)-5-(Hydroxymethyl)tetrahydrofura...
2 spectra
C9H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.10995
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02088
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02089
rac-(S)-1-((2S,5S)-5-(Hydroxymethyl)tetrahydrofura...
2 spectra
C9H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.10995
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02090
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02091
RvD1
1 spectrum
C22H32O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.22498
LC-ESI-QQ; MS2; [M-H]-; Negative
MSBNK-MSSJ-MSJ00041
S-4-(2-oxo-butyl)glutathione
1 spectrum
C14H23N3O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.12567
LC-ESI-QQ; MS2; Positive; [M+H]+
MSBNK-MSSJ-MSJ00056
Silafluofen
8 spectra
C25H29FO2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.19208
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H-C8H10O]+; CE 20 V
MSBNK-MSSJ-MSJ02335
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 10 V
MSBNK-MSSJ-MSJ02329
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 20 V
MSBNK-MSSJ-MSJ02330
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 30 V
MSBNK-MSSJ-MSJ02331
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 40 V
MSBNK-MSSJ-MSJ02332
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 50 V
MSBNK-MSSJ-MSJ02333
LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+NH4]+; CE 60 V
MSBNK-MSSJ-MSJ02334
LC-ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02328
Soyasaponin I
10 spectra
C48H78O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
942.51880
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 100 V
MSBNK-MSSJ-MSJ00883
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00879
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00880
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 70 V
MSBNK-MSSJ-MSJ00881
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSBNK-MSSJ-MSJ00882
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00875
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00876
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00877
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00878
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00874
Squalene
1 spectrum
C30H50
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.39130
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00148
Succinic acid
4 spectra
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.02661
GC-EI-Q; MS; POSITIVE; 2 TBDMS-derivative
MSBNK-MSSJ-MSJ00709
GC-EI-Q; MS; POSITIVE; 2TMS-derivative
MSBNK-MSSJ-MSJ00690
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00761
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00728
Succinic acid-[1,2,3,4-13C4]
4 spectra
C4H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.02661
GC-EI-Q; MS; POSITIVE; 2 TBDMS-derivative
MSBNK-MSSJ-MSJ00710
GC-EI-Q; MS; POSITIVE; 2TMS-derivative
MSBNK-MSSJ-MSJ00691
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00762
GC-EI-QQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00729
Symmetric dimethylarginine
14 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-MSJ00455
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00456
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00457
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00458
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00459
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00447
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 15 V
MSBNK-MSSJ-MSJ00448
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00449
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00450
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00451
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00452
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00453
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00454
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00446
tert-butyl((4-methyl-5-(pentylthio)pentyl)oxy)diph...
2 spectra
C27H42OSSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
442.27255
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02112
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02113
Tetrabromobisphenol A
8 spectra
C15H12Br4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
539.75708
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00476
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00477
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00478
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00479
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00480
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00481
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSBNK-MSSJ-MSJ00482
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00475
Tetrahydroalstonine
1 spectrum
C21H24N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.17868
APCI-ITTOF; MS2; [M+H]+
MSBNK-MSSJ-MSJ00024
Tolylbiguanide
7 spectra
C9H13N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.11708
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 10 V
MSBNK-MSSJ-MSJ02163
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ02164
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 30 V
MSBNK-MSSJ-MSJ02165
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ02166
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 50 V
MSBNK-MSSJ-MSJ02167
ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V
MSBNK-MSSJ-MSJ02168
ESI-QTOF; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ02162
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