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Name
Formula / Structure
ExactMass
ID
Biochanin A glucosylglucoside dimalonylated
3 spectra
C34H36O21
780.17493
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000096
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000097
ESI-TOF; MS2; CE:25 eV; [M-H]-
MSBNK-IPB_Halle-PN000098
Biochanin A glucosylglucoside malonylated
1 spectrum
C31H34O18
694.17450
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000092
Biochanin A O-diglucoside malonylated
2 spectra
C31H34O18
694.17450
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000093
ESI-TOF; MS2; CE:25 eV; [M-H]-
MSBNK-IPB_Halle-PN000094
Biochanin A O-diglucoside methylmalonylated
1 spectrum
C32H36O18
708.19019
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000105
Biochanin A O-glucoside malonylated
2 spectra
C25H24O13
532.12170
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000085
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000086
Biochanin A O-glucosylglucoside
1 spectrum
C28H32O15
608.17413
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000087
Biochanin A O-triglucoside
1 spectrum
C34H42O20
770.22693
ESI-TOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PN000075
Biochanin-7-O-glucoside
35 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.40799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302862
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302868
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302874
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302880
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302886
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302892
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302898
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302904
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302910
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302916
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302922
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302928
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306551
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306552
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306557
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306558
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306563
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306564
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306569
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306570
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306575
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306576
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306581
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306582
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306587
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306588
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306593
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306598
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306603
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306604
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306609
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306614
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308752
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308753
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310865
Biochanin_A
5 spectra
C16H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.06848
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000046
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000047
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000048
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000049
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000050
Biopterin
1 spectrum
C9H11N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
237.08620
GC-EI-TOF; MS; n TMS; RT:923.251 sec
MSBNK-Osaka_Univ-OUF00129
Bioresmethrin
6 spectra
C22H26O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.18820
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU018301
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU018302
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU018303
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU018304
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU018305
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU018306
BIOTIN
1 spectrum
C10H16N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.08820
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P100102_F638
biotin
2 spectra
C10H16N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.08820
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML002701
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML002751
Biotin
43 spectra
C10H16N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.08817
GC-EI-TOF; MS; n TMS; RT:938.702 sec
MSBNK-Osaka_Univ-OUF00130
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80828
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80827
LC-ESI-IT; MS2; m/z: 245; [M+H]+
MSBNK-Keio_Univ-KO008882
LC-ESI-IT; MS3; m/z: 245/227; [M+H]+
MSBNK-Keio_Univ-KO008883
LC-ESI-IT; MS4; m/z: 245/227/166; [M+H]+
MSBNK-Keio_Univ-KO008885
LC-ESI-IT; MS4; m/z: 245/227/209; [M+H]+
MSBNK-Keio_Univ-KO008884
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU132801
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU132851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU132802
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU132852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU132803
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU132853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU132804
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU132854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU132805
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU132855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU132806
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU132856
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000351
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000352
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000353
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000354
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000355
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00016
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00017
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00018
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00019
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00020
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO00021
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO00022
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00278
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00305
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00287
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00309
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP021901
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP021911
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP021902
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP021912
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP021903
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP021913
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80826
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80825
Biperiden
5 spectra
C21H29NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.22491
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001967
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001966
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001965
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001964
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001963
Biphenyl
7 spectra
C12H10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.07829
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU504006
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU504002
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU504007
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU504008
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU504004
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU504009
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU504010
BIPHENYL
6 spectra
C12H10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.07825
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012337
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003617
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006789
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008577
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008823
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009508
Bis (2,6-diisopropylphenyl)-carbodiimide
5 spectra
C25H34N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
362.27219
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505806
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505807
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505808
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505809
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M]+
MSBNK-Athens_Univ-AU505810
BIS(1,1,2,3,3-PENTAMETHYLINDAN-5-YL)-METHANE
1 spectrum
C29H40
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.31299
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010077
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) sebacate
16 spectra
C30H56N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
508.42401
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011802
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111011816
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111011813
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111011815
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111011814
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111011808
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111011811
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011803
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011810
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011804
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011805
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011806
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011812
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011809
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011817
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111011807
Bis(1,3-dichloro-2-propyl) phosphate
9 spectra
C6H11Cl4O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.91489
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000086
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000157
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000231
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN119702
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN119703
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN119704
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN119705
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN119706
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-AN119701
BIS(1-(4-METHOXYPHENYL)ETHYL) ETHER
1 spectrum
C18H22O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.15689
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008835
BIS(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)SEBACATE
1 spectrum
C28H52N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
480.39270
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003567
Bis(2,2,6,6-tetramethyl-4-piperidyl)sebacate
16 spectra
C28H52N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
480.39270
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311108396
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311108392
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311108394
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311108393
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311108401
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311108387
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311108400
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311108395
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311108399
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108390
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311108397
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311108388
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311108391
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311108389
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311108398
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311108402
BIS(2,2-DIMETHYLPROPYL)DISULFIDE
1 spectrum
C10H22S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.11629
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003034
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