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Name
Formula / Structure
ExactMass
ID
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydr...
2 spectra
C21H20O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.38101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309285
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310974
5-Aminoimidazole-4-carboxamide-1-beta-D-ribofurano...
2 spectra
C9H15N4O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.06274
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100309
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100736
5-Aminolevulinic acid
4 spectra
C5H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.05824
GC-EI-TOF; MS; 3 TMS; 1 MEOX; BP:73
MSBNK-RIKEN-PR010216
GC-EI-TOF; MS; 3 TMS; 1 MEOX; BP:73
MSBNK-RIKEN-PR010217
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100221
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100633
5-Aminopentanoic acid
2 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100327
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100762
5-methanesulfinylpentanenitrile
1 spectrum
C6H11NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.22501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310891
5-Methylcytosine
3 spectra
C5H7N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.05891
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010009
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100017
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100016
6,7-Dihydroxycoumarin
27 spectra
C9H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.14301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303106
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303107
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303108
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303109
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303110
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303111
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303112
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303113
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303114
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303115
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303116
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306806
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306808
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306810
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306812
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306814
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306816
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306818
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306820
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306822
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306824
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306826
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306828
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309355
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100939
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100474
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100938
6,7-Dihydroxycoumarin-6-glucoside
13 spectra
C15H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.28400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306831
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306836
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306840
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306845
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306850
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306855
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306860
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306865
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306870
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306875
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306880
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306885
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309349
6-(gamma,gamma-Dimethylallylamino)purine
2 spectra
C10H13N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.11710
GC-EI-TOF; MS; 1 TMS; BP:73
MSBNK-RIKEN-PR010096
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100490
6-Aminohexanoic acid
2 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010218
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100222
6-Hydroxyflavanone
24 spectra
C15H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.25800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303262
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303265
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303268
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303271
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303274
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303277
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303283
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303286
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303289
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303292
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303295
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306986
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306990
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306994
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307001
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307005
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307009
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307013
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307017
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307021
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307025
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308791
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311174
6-Hydroxynicotinic acid
3 spectra
C6H5NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.02695
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100298
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100297
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100730
6-Methoxy-7-hydroxycoumarin
26 spectra
C10H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.17000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303120
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303124
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303128
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303132
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303136
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303140
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303144
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303148
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303152
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303156
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303160
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303164
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306834
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306838
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306843
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306848
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306853
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306858
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306863
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306868
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306873
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306878
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306883
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306887
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309348
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311073
6:3+6O fatty acyl hexoside
1 spectrum
C12H18O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.26401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309336
7,4'-Dihydroxyflavone
1 spectrum
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.24100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310941
7,8-dihydroxy-2H-chromen-2-one
1 spectrum
C9H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.14301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311071
7,8-Dihydroxycoumarin
24 spectra
C9H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.14301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303049
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303054
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303059
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303064
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303069
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303074
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303079
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303084
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303089
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303094
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303099
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306726
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306733
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306740
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306747
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306754
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306761
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306768
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306781
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306788
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306795
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306802
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309356
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310495
7-Hydroxymitragynine
13 spectra
C23H30N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
414.50201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301449
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301453
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301457
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301461
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301465
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301469
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301473
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301477
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301481
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301485
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301489
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301493
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310639
7-methanesulfinylheptan-1-amine
1 spectrum
C8H19NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.31100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310893
7-methanesulfinylheptanenitrile
1 spectrum
C8H15NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.27901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310892
7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3''...
3 spectra
C34H42O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
770.22693
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100976
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101029
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100975
7-Methylsulfenylheptyl isothiocyanate
13 spectra
C9H17NS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.37199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303483
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303484
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303485
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303486
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303487
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303488
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303489
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303490
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303491
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303492
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303493
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303494
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310457
7-Methylsulfinylheptyl isothiocyanate
10 spectra
C9H17NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.37100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307217
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307219
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307220
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307222
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307224
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307225
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307227
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307229
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307231
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308767
7-O-Methylquercetin-3-O-galactoside-6''-rhamnoside
25 spectra
C34H42O20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
770.69000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302994
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303004
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303009
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303013
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303018
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303023
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303028
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303032
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303037
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303042
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306679
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306683
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306687
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306690
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306694
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306698
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306702
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306706
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306710
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306714
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306718
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308784
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310473
7alpha-Voacangine hydroxyindolenine
13 spectra
C22H28N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.47601
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300323
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300327
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300332
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300337
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300342
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300347
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300352
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300357
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300362
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300367
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300377
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310630
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