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84,026 Hit.
( 74,410 - 74,596 Displayed )
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Name
Formula / Structure
ExactMass
ID
Simazine-2-hydroxy
20 spectra
C7H13N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.11200
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000136
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA066808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA066802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA066809
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA066803
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA066814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA066801
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA066810
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA066804
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA066811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA066805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA066812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA066806
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA066813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA066807
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000203
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU207901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU207902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU207903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU207904
Simazine-2-Hydroxy
1 spectrum
C7H13N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.11201
LC-ESI-QTOF; MS2; CE: Ramp 17.4-26.1 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU207906
Simeconazole
4 spectra
C14H20FN3OSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.13596
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000073
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000074
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000075
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000076
Simeton
14 spectra
C8H15N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.12711
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA066708
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA066702
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA066709
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA066703
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA066714
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA066701
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA066710
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA066704
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA066711
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA066705
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA066712
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA066706
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA066713
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA066707
Simetryn
15 spectra
C8H15N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.10480
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF402103
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF402101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF402104
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0154213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0154237762PH
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF402102
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA015425AF82PH
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM840401
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU260501
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU260502
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU260503
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU260504
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU260505
LC-ESI-QTOF; MS2; CE: Ramp 18.5-27.8 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU260506
MALDI-TOFTOF; MS2; CE: 20keV; [M+H]+
MSBNK-JEOL_Ltd-JEL00033
Simvastatin
27 spectra
C25H38O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
418.27191
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ314401
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ314402
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ314403
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ314404
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ314405
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ314406
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311093855
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311093864
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311093862
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311093860
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311093865
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311093866
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311093863
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311093856
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311093867
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093861
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093868
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311093859
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311093870
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311093857
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311093869
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311093858
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU112801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU112802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU112803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU112804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU112805
Sinapic acid
21 spectra
C11H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.06847
GC-EI-TOF; MS; 2 TMS; BP:338
MSBNK-Kazusa-KZ000073
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010129
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010130
GC-EI-TOF; MS; n TMS; RT:861.943 sec
MSBNK-Osaka_Univ-OUF00459
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020014
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303342
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303345
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303348
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303351
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303354
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303357
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303360
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303363
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303366
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303369
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303375
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311176
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100093
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101042
MALDI-TOF; MS; Pos
MSBNK-Osaka_MCHRI-MCH00015
Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethox...
3 spectra
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.21300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079103
Sinapine
10 spectra
[C16H24NO5]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.16544
LC-ESI-ITFT; MS2; CE 35 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000051
LC-ESI-ITFT; MS2; CE 45 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000052
LC-ESI-ITFT; MS2; CE 55 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000053
LC-ESI-ITFT; MS2; CE 70 eV; [M]+
MSBNK-MPI_for_Chemical_Ecology-CE000054
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000055
LC-ESI-QTOF; MS2; CE:10 eV; [M]+
MSBNK-IPB_Halle-PB006004
LC-ESI-QTOF; MS2; CE:15 eV; [M]+
MSBNK-IPB_Halle-PB006005
LC-ESI-QTOF; MS2; CE:20 eV; [M]+
MSBNK-IPB_Halle-PB006006
LC-ESI-QTOF; MS2; CE:25 eV; [M]+
MSBNK-IPB_Halle-PB006007
LC-ESI-QTOF; MS2; CE:30 eV; [M]+
MSBNK-IPB_Halle-PB006008
Sinapinic acid
3 spectra
C11H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.06847
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP017401
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP017402
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP017403
Sinapoyl + C6H9O5
1 spectrum
C17H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.33801
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310736
Sinapoyl aldehyde
13 spectra
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.21300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302274
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302286
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302292
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302297
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302303
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302309
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302315
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302321
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302327
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302333
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302339
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310734
Sinapoyl malate
1 spectrum
C15H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.07944
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101055
Sinapoylagmatine
1 spectrum
C16H24N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.39200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310735
Sinapoylcholine
3 spectra
[C16H24NO5]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.16544
LC-ESI-QTOF; MS2; CE:15 eV; M+
MSBNK-IPB_Halle-PB000384
LC-ESI-QTOF; MS2; CE:25 eV; M+
MSBNK-IPB_Halle-PB000385
LC-ESI-QTOF; MS2; CE:40 eV; M+
MSBNK-IPB_Halle-PB000386
Sinapoylhexoside
1 spectrum
C17H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.35300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310737
Sinapyl aldehyde
1 spectrum
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.07356
GC-EI-TOF; MS; n TMS; RT:814.012 sec
MSBNK-Osaka_Univ-OUF00460
Sinigrin
1 spectrum
C10H17NO9S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
359.03448
GC-EI-TOF; MS; n TMS; RT:876.775 sec
MSBNK-Osaka_Univ-OUF00461
Sinomenine
23 spectra
C19H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.16272
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82182
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000053
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00286
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00287
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00288
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00285
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000118
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300440
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300444
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300447
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300451
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300455
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300459
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300463
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300467
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300471
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300475
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300479
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300483
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310582
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00396
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00410
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82180
SINULARIOLIDE
1 spectrum
C20H30O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
334.21442
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010666
sipeimine
4 spectra
C27H43NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.64871
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03122
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03123
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03124
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03121
Sipeimine, 3-Ac
4 spectra
C29H45NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
471.68631
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00131
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00130
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00129
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00132
Sipeimone
1 spectrum
C27H41NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.63269
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000170
Sisomicin
13 spectra
C19H37N5O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
447.26929
LC-ESI-IT; MS2; m/z: 448; [M+H]+
MSBNK-Keio_Univ-KO009245
LC-ESI-IT; MS3; m/z: 448/322; [M+H]+
MSBNK-Keio_Univ-KO009246
LC-ESI-IT; MS4; m/z: 448/322/205; [M+H]+
MSBNK-Keio_Univ-KO009247
LC-ESI-QQ; MS2; CE:10 V; [M+2H]++
MSBNK-Keio_Univ-KO004037
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004032
LC-ESI-QQ; MS2; CE:20 V; [M+2H]++
MSBNK-Keio_Univ-KO004038
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004033
LC-ESI-QQ; MS2; CE:30 V; [M+2H]++
MSBNK-Keio_Univ-KO004039
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004034
LC-ESI-QQ; MS2; CE:40 V; [M+2H]++
MSBNK-Keio_Univ-KO004040
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004035
LC-ESI-QQ; MS2; CE:50 V; [M+2H]++
MSBNK-Keio_Univ-KO004041
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004036
Sissotrin
1 spectrum
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.12131
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100364
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