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Name
Formula / Structure
ExactMass
ID
(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimeth...
1 spectrum
C29H44O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.66901
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112560
(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltride...
1 spectrum
C27H40O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
396.61499
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112580
(2R)-2-Hydroxy-2-phenethylglucosinolate
13 spectra
C15H21NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
439.45999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307171
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307175
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307179
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307183
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307190
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307194
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307198
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307202
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307206
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307210
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307214
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308765
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K]+
MSBNK-RIKEN-PR100435
(2R)-2-Hydroxybut-3-enylglucosinolate
2 spectra
C11H19NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.04504
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K-2H]-
MSBNK-RIKEN-PR100884
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K]+
MSBNK-RIKEN-PR100427
(2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin,...
5 spectra
C11H19NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.39999
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107107
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107108
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107110
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107111
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS107112
(2R)-3-MERCAPTO-2-TOSYLAMINOPROPANOIC ACID
1 spectrum
C10H13NO4S2
275.02859
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002426
(2R*,3R*)-2-METHOXYCARBONYL-3-((1R*)-1-METHYL-2-BU...
1 spectrum
C12H18O3
210.12560
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006684
(2R*,3R*)-2-METHYL-3-((1R*)-1,5-DIMETHYLHEXYL)CYCL...
1 spectrum
C14H26O
210.19836
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006686
(2R*,3R*)-2-METHYL-3-((1R*)-1-METHYL-2-BUTENYL)CYC...
1 spectrum
C11H18O
166.13577
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006685
(2R*,3R*)-2-METHYL-3-((1R*)-1-METHYLBUTYL)CYCLOPEN...
1 spectrum
C11H20O
168.15141
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006683
(2R,3R)-(+)-2,3-Epoxy-1-octanol
1 spectrum
C8H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.11504
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ02041
(2R,3R)-(+)-2,3-Epoxy-1-octanoll
1 spectrum
C8H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.11504
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02042
(2R,3R)-(+)-2,3-epoxyoctyl 3,5-dinitrobenzoate
2 spectra
C15H18N2O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.11139
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ02045
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02046
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3...
2 spectra
C30H26O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
578.52600
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104590
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204590
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, Cystosol, ...
2 spectra
C6H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.17200
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT105430
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT205430
(2R,3S)-(+)-2,3-epoxyoctanal
2 spectra
C8H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.09938
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02053
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02054
(2R,3S)-(-)-Methyl syn-2,3-dihydroxyoctanoate
2 spectra
C9H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.12051
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ02037
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02038
(2R,3S)-2,3,4-Trihydroxybutyric acid , Threonate, ...
2 spectra
C4H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.10300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS079707
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097907
(2R,3S)-2,3-Dimethylmalate
5 spectra
C6H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.05283
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002746
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002747
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002748
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002749
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002750
(2R,3S)-2,3-Epoxypentanol
2 spectra
C5H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.06808
GC-CI-TOF; MS; positive; CI; Isobutane 200 V
MSBNK-MSSJ-MSJ00594
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00593
(2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, ...
3 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.17500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097503
(2R,3S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)BUTAN-1,2,3-...
1 spectrum
C13H28O4Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.17569
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007298
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-...
1 spectrum
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112460
(2R,3S,5R)-5-(But-3-en-1-yl)-3-acetoxy-2-(acetoxym...
2 spectra
C13H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.13107
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02093
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02094
(2R,4AS,5S,8AS)-(+)-2,5,8ABETA-TRIMETHYL-3,4,4A,5,...
1 spectrum
C19H32O
276.24533
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008006
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