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Name
Formula / Structure
ExactMass
ID
Valsartan acid
18 spectra
C14H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.08038
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ279507
LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
MSBNK-Eawag-EQ279557
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ279508
LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
MSBNK-Eawag-EQ279558
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ279501
LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
MSBNK-Eawag-EQ279551
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ279509
LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
MSBNK-Eawag-EQ279559
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ279502
LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
MSBNK-Eawag-EQ279552
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ279503
LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
MSBNK-Eawag-EQ279553
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ279504
LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
MSBNK-Eawag-EQ279554
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ279505
LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
MSBNK-Eawag-EQ279555
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ279506
LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
MSBNK-Eawag-EQ279556
Valsartanic acid
32 spectra
C14H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.08041
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311091214
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311093688
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311091219
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311093685
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311091217
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311093676
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311091215
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311093679
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311091208
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311093686
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311091209
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311093681
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311091220
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311093691
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311091216
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311093684
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311091213
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311093683
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091212
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091223
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093680
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093690
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311091211
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311093677
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311091221
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311093682
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311091222
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311093689
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311091218
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311093678
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311091210
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311093687
VALYDOXYLAMINE-A
1 spectrum
C14H25NO8
335.15802
FD-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000137
ValylIsoleucine
1 spectrum
C11H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.30800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311049
Valylphenylalanine
1 spectrum
C14H20N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.32501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311059
Valylvaline
1 spectrum
C10H20N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.28101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311037
Vamidothion
7 spectra
C8H18NO4PS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.04150
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01132307
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01132301
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01132302
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01132303
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01132304
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01132305
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01132306
VANADIUM(4) OXIDE DIACETYLACETONATE
1 spectrum
C10H14O5V
265.02808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000339
Vanillic acid
4 spectra
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.04230
LC-ESI-QTOF; MS
MSBNK-BS-BS003123
LC-ESI-QTOF; MS
MSBNK-BS-BS003125
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003126
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003124
vanillic acid
1 spectrum
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.04230
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML005851
Vanillic acid (not validated)
1 spectrum
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.17500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311155
Vanillic acid + O-sulfonateHex
1 spectrum
C14H18O12S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.35101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308959
VANILLIN
1 spectrum
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009387
vanillin
1 spectrum
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04730
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML005951
Vanillin
4 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04735
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82328
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82327
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82326
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82325
Vanillin acetate
13 spectra
C10H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.18600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304108
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304110
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304112
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304114
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304116
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304118
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304120
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304122
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304124
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304126
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304128
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304130
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310425
Vanilloside
4 spectra
C14H18O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.29480
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02178
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02179
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02180
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02177
Vardenafil
11 spectra
C23H32N6O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
488.22061
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM852853
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU235901
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU235957
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU235902
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU235958
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU235903
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU235959
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU235904
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU235960
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU235905
LC-ESI-QTOF; MS2; CE: Ramp 25.4-38.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU235906
VARELANONE
1 spectrum
C15H26O
222.19836
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010694
Varenicline
9 spectra
C13H13N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.11095
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ363607
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ363608
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ363601
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ363609
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ363602
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ363603
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ363604
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ363605
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ363606
Vasicine
13 spectra
C11H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.23000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301185
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301189
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301192
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301196
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301204
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301208
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301211
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301215
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301219
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301223
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301227
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310548
Vasicinone
12 spectra
C11H10N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.21300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301352
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301356
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301360
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301364
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301368
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301376
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301384
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301388
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301392
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301396
Vatalanib
6 spectra
C20H15ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
346.09851
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001673
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001671
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001672
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001674
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001670
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001675
Vecuronium
9 spectra
[C34H57N2O4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
557.43182
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001761
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001760
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001759
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA001758
LC-ESI-QTOF; MS2; CE:10 eV; [M]+
MSBNK-Univ_Connecticut-CO000506
LC-ESI-QTOF; MS2; CE:20 eV; [M]+
MSBNK-Univ_Connecticut-CO000507
LC-ESI-QTOF; MS2; CE:30 eV; [M]+
MSBNK-Univ_Connecticut-CO000508
LC-ESI-QTOF; MS2; CE:40 eV; [M]+
MSBNK-Univ_Connecticut-CO000509
LC-ESI-QTOF; MS2; CE:50 eV; [M]+
MSBNK-Univ_Connecticut-CO000510
VELBANAMINE
1 spectrum
C19H26N2O
298.20450
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011083
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