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Name
Formula / Structure
ExactMass
ID
L-Iditol
5 spectra
C6H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.07904
GC-EI-TOF; MS; 6 TMS; BP:147
MSBNK-Kazusa-KZ000048
GC-EI-TOF; MS; 6 TMS; BP:73
MSBNK-RIKEN-PR010086
GC-EI-TOF; MS; n TMS; BP:73
MSBNK-RIKEN-PR010084
GC-EI-TOF; MS; n TMS; BP:73
MSBNK-RIKEN-PR010085
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100483
L-Isoleucine
44 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
CE-ESI-TOF; MS; [M+H]+
MSBNK-RIKEN-PR030010
EI-B; MS; 2 TMS; RT: 466.07 s
MSBNK-GL_Sciences_Inc-GLS00013
GC-EI-QQ; MS; 2 TBDMS; RT:654.3 sec
MSBNK-Osaka_Univ-OUF01004
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000231
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000232
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000233
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010061
GC-EI-TOF; MS; n TMS; RT:435.894 sec
MSBNK-Osaka_Univ-OUF00312
LC-ESI-ITFT; MS2; m/z:132.10; POS
MSBNK-NAIST-KNA00042
LC-ESI-ITFT; MS2; m/z:132.10; POS
MSBNK-NAIST-KNA00321
LC-ESI-ITFT; MS2; m/z:133.10; POS
MSBNK-NAIST-KNA00043
LC-ESI-ITFT; MS2; m/z:133.10; POS
MSBNK-NAIST-KNA00322
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00041
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00320
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003172
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001175
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003173
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001176
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003174
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001177
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003175
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001178
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003176
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001179
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111013353
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111013363
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111013360
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111013362
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111013361
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111013352
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111013354
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111013364
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111013367
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013357
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111013365
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111013366
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111013359
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111013356
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111013358
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111013355
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP000801
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP000811
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP000802
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP000803
L-Isoleucine standard
1 spectrum
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P100301_F638
L-Kynurenine
1 spectrum
C10H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.08479
GC-EI-TOF; MS; n TMS; RT:841.093 sec
MSBNK-Osaka_Univ-OUF00313
L-LEUCINE
1 spectrum
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005747
L-Leucine
24 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
CE-ESI-TOF; MS; [M+H]+
MSBNK-RIKEN-PR030011
EI-B; MS; 2 TMS; RT: 451.26 s
MSBNK-GL_Sciences_Inc-GLS00004
GC-EI-QQ; MS; 2 TBDMS; RT:639.66 sec
MSBNK-Osaka_Univ-OUF01003
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000049
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000158
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000159
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010034
GC-EI-TOF; MS; n TMS; RT:423.044 sec
MSBNK-Osaka_Univ-OUF00305
LC-ESI-ITFT; MS2; m/z:132.10; POS
MSBNK-NAIST-KNA00126
LC-ESI-ITFT; MS2; m/z:132.10; POS
MSBNK-NAIST-KNA00361
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003277
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001261
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003278
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001262
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003279
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001263
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003280
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001264
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003281
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP000601
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP000611
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP000602
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP000603
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100496
L-Lysine
6 spectra
C6H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.10553
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP001101
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP001102
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP001112
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP001103
L-lysine
1 spectrum
C6H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.10550
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML004701
L-Lysine
6 spectra
C6H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.10553
GC-EI-QQ; MS; 3 TBDMS; RT:491.38843
MSBNK-Osaka_Univ-OUF01014
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000932
L-Lysine monohydrochloride, Lysine acid, Lys, (S)-...
5 spectra
C6H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.19000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028106
L-Lysine standard
2 spectra
C6H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.10550
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P100301_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P100301_FB57
L-MENTHOL
2 spectra
C10H20O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.15141
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002472
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006346
L-MENTHONE
1 spectrum
C10H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.13577
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004932
L-MENTHYL 2-METHYLBUTYRATE
1 spectrum
C15H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.20892
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007096
L-MENTHYL 3-ETHYL-4-HYDROXYTRICYCLO(4.3.0.O(1,5))N...
1 spectrum
C22H36O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
348.26645
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001158
L-MENTHYL 3-ETHYL-4-OXOTRICYCLO(4.3.0.0(1,))NONANE...
1 spectrum
C22H34O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
346.25079
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001157
L-MENTHYL 3-OXOHEXANOATE
1 spectrum
C16H28O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.20383
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001155
L-MENTHYL 4-(1-CYCLOPENTENYLMETHYL)-3-OXOHEXANOATE
1 spectrum
C22H36O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
348.26645
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001156
L-Methionine
28 spectra
C5H11NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.05106
CE-ESI-TOF; MS; [M+H]+
MSBNK-RIKEN-PR030013
EI-B; MS; 2 TMS; RT: 596.79 s
MSBNK-GL_Sciences_Inc-GLS00029
GC-EI-QQ; MS; 2 TBDMS; RT:755.64 sec
MSBNK-Osaka_Univ-OUF01007
GC-EI-TOF; MS; 2 TMS; BP:128
MSBNK-Kazusa-KZ000050
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010035
GC-EI-TOF; MS; n TMS; RT:560.194 sec
MSBNK-Osaka_Univ-OUF00317
LC-ESI-ITFT; MS2; m/z:121.06; POS
MSBNK-NAIST-KNA00078
LC-ESI-ITFT; MS2; m/z:138.09; POS
MSBNK-NAIST-KNA00079
LC-ESI-ITFT; MS2; m/z:150.06; POS
MSBNK-NAIST-KNA00080
LC-ESI-ITFT; MS2; m/z:150.06; POS
MSBNK-NAIST-KNA00301
LC-ESI-ITFT; MS2; m/z:193.07; POS
MSBNK-NAIST-KNA00302
LC-ESI-ITFT; MS2; m/z:268.10; POS
MSBNK-NAIST-KNA00303
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00077
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00300
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003332
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001310
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003333
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001311
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003334
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001312
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003335
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001313
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003336
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001314
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP001901
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP001902
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP001903
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100030
L-Methionine sulfone
5 spectra
C5H11NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.04088
EI-B; MS; n TMS; RT: 750.13 s
MSBNK-GL_Sciences_Inc-GLS00110
GC-EI-TOF; MS; 2 TMS; BP:128
MSBNK-RIKEN-PR010063
GC-EI-TOF; MS; n TMS; RT:703.894 sec
MSBNK-Osaka_Univ-OUF00318
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100168
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100582
L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(me...
4 spectra
C5H11NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.21300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005303
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005304
L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(me...
1 spectrum
C5H11NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.21300
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100530
L-Norleucine
13 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
EI-B; MS; 1TMS; RT: 401.51 s
MSBNK-GL_Sciences_Inc-GLS00050
EI-B; MS; 2 TMS; RT: 480.88 s
MSBNK-GL_Sciences_Inc-GLS00052
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000051
GC-EI-TOF; MS; 2 TMS; BP:158
MSBNK-Kazusa-KZ000160
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010064
GC-EI-TOF; MS; n TMS; RT:383.494 sec
MSBNK-Osaka_Univ-OUF00393
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP002201
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP002211
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP002202
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP002203
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100170
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100169
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100583
L-Norleucine, Nle, (2S)-2-aminohexanoic acid, alph...
3 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.17500
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102830
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102833
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202830
L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+...
4 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.17500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028303
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028304
L-Norvaline
4 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010065
GC-EI-TOF; MS; x TMS; BP:144
MSBNK-Kazusa-KZ000235
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100171
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100584
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