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Name
Formula / Structure
ExactMass
ID
(R)-3-Amino-4-methylvaleric acid, L-beta-Leucine h...
3 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.17500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061703
(R)-3-Amino-4-phenylbutyric acid
2 spectra
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100283
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100715
(R)-3-methyl-1-heptanol
2 spectra
C8H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.13580
GC-EI-TOF; MS; positive; EI; M+*.
MSBNK-MSSJ-MSJ00093
GC-FI-TOF; MS; M*+; FI voltage 10 kV
MSBNK-MSSJ-MSJ00094
(R)-3-methylheptyl bromide
1 spectrum
C8H17Br
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.05141
GC-EI-TOF; MS; positive; EI; M+*.
MSBNK-MSSJ-MSJ00097
(R)-3-Methylheptyl bromide
1 spectrum
C8H17Br
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.05141
GC-FI-TOF; MS; M*+; FI voltage 10 kV
MSBNK-MSSJ-MSJ00098
(R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-...
3 spectra
C8H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.17999
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001406
(R)-4-methyloctadecanal
2 spectra
C19H38O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.29230
GC-EI-TOF; MS; positive; EI; M+*.
MSBNK-MSSJ-MSJ00101
GC-FI-TOF; MS; M*+ ;[M+H]+; FI voltage 10 kV
MSBNK-MSSJ-MSJ00102
(R)-Citronellyl benzyl ether
2 spectra
C17H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.19836
GC-EI-BE; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00549
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00550
(R)-Citronellyl pivalate
2 spectra
C15H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.20892
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00569
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00570
(R)-gamma-Tocotrienol, (2R)-2,7,8-trimethyl-2-[(3E...
1 spectrum
C28H42O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.64200
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT112570
(R)-gamma-Tocotrienol, 7,8-Dimethyltocotrienol, ga...
1 spectrum
C28H42O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.64200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125701
(R)-Octa-1,7-dien-4-ol
2 spectra
C8H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.10447
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ02070
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02071
(R)Semivioxanthin
6 spectra
C15H14O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.08411
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003725
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003726
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003727
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003728
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003729
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003730
(R)Semixanthomegnin
11 spectra
C15H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.06339
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003731
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003233
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003732
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003733
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003234
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003734
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003235
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003735
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003236
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003736
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003237
(R,S)-Equol
3 spectra
C15H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.09430
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000072
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000014
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000211
(R-(1-BETA,4-BETA,4A-BETA,5-ALPHA,5A-BETA,6-BETA,9...
1 spectrum
C17H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.12051
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011001
(R-(4A-ALPHA,9A-BETA,1'-BETA,7'-BETA))-2,3,4A,9A-T...
1 spectrum
C18H26O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.17801
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010975
(R-(Z))-12-HYDROXY-9-OCTADECENOIC ACIDMETHYL ESTER
1 spectrum
C19H36O3
312.26645
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004227
(S)-(+)-2-(anilinomethyl)pyrrolidine
4 spectra
C11H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.13135
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010220
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010221
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100268
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100267
(S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2...
6 spectra
C11H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.26300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046803
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046804
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046805
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046806
(S)-(+)-2-(anilinomethyl)pyrrolidine, N-[[(2S)-pyr...
2 spectra
C11H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.26300
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104680
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104683
(S)-(+)-Aminosuccinic acid, Asp, (S)-Aminobutanedi...
1 spectrum
C4H7NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.10300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026801
(S)-(+)-Citramailc acid
2 spectra
C5H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.03717
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100302
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100732
(S)-(-)-METHYL LACTATE
1 spectrum
C4H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.04734
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005823
(S)-(-)-Perillic acid
4 spectra
C10H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.09938
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80088
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01837
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80086
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80085
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