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Name
Formula / Structure
ExactMass
ID
5-methoxyindole-3-carbaldehyde
6 spectra
C10H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.06332
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-IPB_Halle-PB000500
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB000501
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-IPB_Halle-PB000502
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-IPB_Halle-PB000503
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-IPB_Halle-PB000504
LC-ESI-QTOF; MS2; CE:60 eV; [M+H]+
MSBNK-IPB_Halle-PB000505
5-METHOXYINDOLE-3-SPIRO-3'-N-TRIFLUOROACETYL-2'-ME...
1 spectrum
C15H13F3N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.09290
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001886
5-methoxypodophyllotoxin
4 spectra
C23H24O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
444.14203
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82443
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82442
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82441
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82440
5-Methoxypsoralen
8 spectra
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04225
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000392
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000393
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000391
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU106801
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU106802
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU106804
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU106805
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU106806
5-METHOXYPYRIMIDINE
1 spectrum
C5H6N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
110.04801
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002031
5-Methoxysalicylic acid
5 spectra
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.04230
LC-ESI-QTOF; MS
MSBNK-BS-BS003116
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS003118
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003117
MALDI-TOF; MS; Neg
MSBNK-Osaka_MCHRI-MCH00008
MALDI-TOF; MS; Pos
MSBNK-Osaka_MCHRI-MCH00009
5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-...
4 spectra
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.14799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104209
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104210
5-Methoxytryptamine
10 spectra
C11H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.11061
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003402
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001379
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003403
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001380
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003404
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001381
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003405
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001382
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003406
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001383
5-Methoxyuridine
3 spectra
C10H14N2O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.08011
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80493
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80491
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80490
5-METHYL-1,2,3,4-TETRAHYDRO(2-2H1)PYRIMIDO(1,6-A)I...
1 spectrum
C12H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.11571
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004386
5-METHYL-1,2,3,4-TETRAHYDROPYRIMIDO(1,6-A)INDOLE
1 spectrum
C12H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.11571
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004391
5-METHYL-1,3-DIISOPROPYLBENZENE
1 spectrum
C13H20
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.15649
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012297
5-Methyl-1-(propan-2-yl)-1H-indole-2,3dione
1 spectrum
C12H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.09464
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM802401
5-METHYL-1-NONYL-6,8-DIOXABICYCLO(3.2.1)OCTAN-3-ON...
1 spectrum
C16H28O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.20383
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004364
5-METHYL-1-PHENYL-6,8-DIOXABICYCLO(3.2.1)OCTAN-3-O...
1 spectrum
C13H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.09428
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004365
5-METHYL-1-PHENYLPYRAZOLE
1 spectrum
C10H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
158.08440
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002025
5-Methyl-1H-benzotriazole
87 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000077
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000027
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA029101AD6CPH
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA016708
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EA016758
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA016702
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-Eawag-EA016752
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA029103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA016709
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA029105070APH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EA016759
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA016703
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-Eawag-EA016753
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA016714
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA008501
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-Eawag-EA016764
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA016701
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
MSBNK-Eawag-EA016751
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA029111C9CFPH
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA016710
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EA016760
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA016704
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
MSBNK-Eawag-EA016754
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA029113D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA016711
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291155BE0PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EA016761
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA016705
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-Eawag-EA016755
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291213166PH
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA016712
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EA016762
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA016706
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
MSBNK-Eawag-EA016756
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291237762PH
LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+
MSBNK-UFZ-UA008502
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA029125AF82PH
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA016713
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
MSBNK-Eawag-EA016763
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA016707
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
MSBNK-Eawag-EA016757
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM821601
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000148
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000222
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092638
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311107321
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311092641
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311107331
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311107330
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311107322
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311107334
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311092637
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311107324
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311107329
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092636
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311107328
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092634
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311107320
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092632
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092635
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107325
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107335
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092640
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311107332
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092633
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311107323
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092639
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311107326
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311107333
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311092642
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311107327
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU241601
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU405101
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241657
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU241602
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU405102
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241658
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU241603
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241659
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU241604
LC-ESI-QTOF; MS2; CE: Ramp 17.3-25.9 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU241662
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU241606
LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU405107
LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU405108
LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU405109
LC-ESI-QTOF; MS2; HILIC; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU405110
LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU405111
5-Methyl-1H-Benzotriazole TP42 (Tentative)
1 spectrum
C9H9N3O2
191.06950
LC-ESI-ITFT; MS2; 80-110; R=7500; [M+H]+
MSBNK-Eawag_Additional_Specs-ETS00112
5-methyl-1H-pyrimidine-2,4-dione, 2,4-Dihydroxy-5-...
3 spectra
C5H6N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.11500
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT103610
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT103613
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203610
5-METHYL-2,3-DIMETHOXYCARBONYL-5,6-DIHYDROPYRROLO(...
1 spectrum
C13H13N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
291.08551
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011862
5-METHYL-2,5-DIPHENYL-2-OXAZOLINE
1 spectrum
C16H15NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
237.11536
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010257
5-METHYL-2-(1-METHYLETHYL)-PHENOL
1 spectrum
C10H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.10448
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008423
5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol...
6 spectra
C11H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.09496
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001473
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001474
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001476
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001475
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001477
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001472
5-METHYL-2-BUTYRYLFURAN
1 spectrum
C9H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.08372
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007739
5-Methyl-2-furancarboxylic acid
3 spectra
C6H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.03169
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000233
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000232
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000234
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