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Name
Formula / Structure
ExactMass
ID
D-2-Aminobutyric acid
13 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-ITFT; MS2; m/z:104.07; POS
MSBNK-NAIST-KNA00002
LC-ESI-ITFT; MS2; m/z:104.07; POS
MSBNK-NAIST-KNA00349
LC-ESI-ITFT; MS2; m/z:207.13; POS
MSBNK-NAIST-KNA00004
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00001
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00348
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002228
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000153
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002229
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000154
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002230
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000155
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002231
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002232
D-3-Methylhistidine
5 spectra
C7H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.08513
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003472
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003473
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003474
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003475
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003476
D-3-Phenyllactic acid
2 spectra
C9H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.06299
EI-B; MS; 2 TMS; RT: 632.60 s
MSBNK-GL_Sciences_Inc-GLS00073
GC-EI-TOF; MS; n TMS; RT:592.988 sec
MSBNK-Osaka_Univ-OUF00154
D-5-Oxoproline
10 spectra
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.04259
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003853
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001696
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003854
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001697
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003855
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001698
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003856
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001699
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003857
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001700
D-Ala
7 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002048
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000019
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002049
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000020
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002050
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002051
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002052
D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(...
4 spectra
C2H8NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.06600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS013701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS013702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS013703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS013707
D-Ala-D-ala
1 spectrum
C6H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.08479
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100310
D-Ala-D-ala, D-Alanyl-D-alanine, (2R)-2-[[(2R)-2-a...
1 spectrum
C6H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.17300
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106640
D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alan...
7 spectra
C6H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.17300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066404
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066405
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066406
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066407
D-Alloisoleucine
2 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100388
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100840
d-alpha-BHC
1 spectrum
C6H6Cl6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.86008
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01054
D-Altrulose, D-Psicose, Psi, (3R,4R,5R)-1,3,4,5,6-...
2 spectra
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.15601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS078803
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS078804
D-Arabinose 5-phosphate
8 spectra
C5H11O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.01915
GC-EI-TOF; MS; n TMS; RT:800.795 sec
MSBNK-Osaka_Univ-OUF00158
GC-EI-TOF; MS; n TMS; RT:803.445 sec
MSBNK-Osaka_Univ-OUF00159
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000248
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000249
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000250
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000251
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000252
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100544
D-Arabitol
2 spectra
C5H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.06847
EI-B; MS; 5 TMS; RT: 704.48 s
MSBNK-GL_Sciences_Inc-GLS00172
GC-EI-TOF; MS; n TMS; RT:647.044 sec
MSBNK-Osaka_Univ-OUF00160
D-CAMPHOLIC ACID
1 spectrum
C10H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.13068
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002471
D-CAMPHOLYLMETHANE
1 spectrum
C11H20O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.15141
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002473
D-Carnitine
2 spectra
C7H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.10519
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100131
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100130
D-erythro-Dihydrosphingosine
5 spectra
C18H39NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.29807
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002736
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002737
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002738
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002739
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002740
D-Erythrose-4-phosphate
1 spectrum
C4H9O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.00859
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100545
D-erythrose-4P, D-Erythrose-4-phosphate sodium sal...
1 spectrum
C4H9O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.08501
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202060
D-fructose 1-phosphate
1 spectrum
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02969
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML003551
D-Fructose 6-phosphate
13 spectra
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
GC-EI-TOF; MS; 6 TMS; 1 MEOX; BP:73
MSBNK-RIKEN-PR010049
GC-EI-TOF; MS; 6 TMS; BP:315
MSBNK-Kazusa-KZ000022
GC-EI-TOF; MS; 6 TMS; BP:315
MSBNK-Kazusa-KZ000134
GC-EI-TOF; MS; 6 TMS; BP:315
MSBNK-Kazusa-KZ000135
GC-EI-TOF; MS; n TMS; RT:874.5699741 sec
MSBNK-Osaka_Univ-OUF00163
GC-EI-TOF; MS; n TMS; RT:878.3143483 sec
MSBNK-Osaka_Univ-OUF00164
GC-EI-TOF; MS; n TMS; RT:880.7606729 sec
MSBNK-Osaka_Univ-OUF00165
GC-EI-TOF; MS; n TMS; RT:885.5035469 sec
MSBNK-Osaka_Univ-OUF00166
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000744
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000745
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000746
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000747
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000748
D-Fructose-6-phosphate
1 spectrum
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100546
D-Fructose-6-phosphate disodium salt hydrate , Fru...
5 spectra
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.13699
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020707
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS020708
D-Galactose
3 spectra
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06340
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP022811
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP022812
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP022813
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