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Compound Name:
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2,192 Hit.
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Name
Formula / Structure
ExactMass
ID
L-Histidinol
5 spectra
C6H11N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
141.09021
GC-EI-TOF; MS; 3 TMS; BP:154
KZ000046
GC-EI-TOF; MS; 3 TMS; BP:154
KZ000156
GC-EI-TOF; MS; 3 TMS; BP:73
PR010060
GC-EI-TOF; MS; n TMS; RT:710.972 sec
OUF00310
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100165
L-Homocarnosine
17 spectra
C10H16N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.12224
GC-EI-TOF; MS; 3 TMS; BP:154
KZ000047
GC-EI-TOF; MS; 3 TMS; BP:154
KZ000157
GC-EI-TOF; MS; 3 TMS; BP:73
PR010174
LC-ESI-IT; MS2; m/z: 241; [M+H]+
KO008991
LC-ESI-IT; MS3; m/z: 241/156; [M+H]+
KO008992
LC-ESI-IT; MS4; m/z: 241/156/110; [M+H]+
KO008993
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003068
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000978
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003069
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000979
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003070
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000980
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003071
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000981
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003072
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000982
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100581
L-Homocitrulline
1 spectrum
C7H15N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.11134
GC-EI-TOF; MS; n TMS; RT:734.864 sec
OUF00047
L-Homocysteine
6 spectra
C4H9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.03540
GC-EI-TOF; MS; 3 TMS; BP:128
KZ000227
LC-ESI-ITFT; MS2; m/z:118.03; POS
KNA00409
LC-ESI-ITFT; MS2; m/z:136.04; POS
KNA00056
LC-ESI-ITFT; MS2; m/z:136.04; POS
KNA00410
LC-ESI-ITFT; MS; POS
KNA00053
LC-ESI-ITFT; MS; POS
KNA00408
L-Homocystine
2 spectra
C8H16N2O4S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.05515
GC-EI-TOF; MS; 4 TMS; BP:73
PR010175
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100166
L-Homoserine
14 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
GC-EI-TOF; MS; 3 TMS; BP:128
KZ000228
LC-ESI-ITFT; MS2; m/z:118.05; NEG
KNA00555
LC-ESI-ITFT; MS2; m/z:118.05; NEG
KNA00729
LC-ESI-ITFT; MS2; m/z:120.07; POS
KNA00142
LC-ESI-ITFT; MS2; m/z:120.07; POS
KNA00341
LC-ESI-ITFT; MS2; m/z:121.07; POS
KNA00143
LC-ESI-ITFT; MS2; m/z:121.07; POS
KNA00342
LC-ESI-ITFT; MS2; m/z:237.11; NEG
KNA00730
LC-ESI-ITFT; MS; NEG
KNA00554
LC-ESI-ITFT; MS; NEG
KNA00728
LC-ESI-ITFT; MS; POS
KNA00141
LC-ESI-ITFT; MS; POS
KNA00340
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100294
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100726
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
KZ000048
GC-EI-TOF; MS; 6 TMS; BP:73
PR010086
GC-EI-TOF; MS; n TMS; BP:73
PR010084
GC-EI-TOF; MS; n TMS; BP:73
PR010085
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100483
L-Isoleucine
28 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
CE-ESI-TOF; MS; [M+H]+
PR030010
EI-B; MS; 2 TMS; RT: 466.07 s
GLS00013
GC-EI-QQ; MS; 2 TBDMS; RT:654.3 sec
OUF01004
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000231
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000232
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000233
GC-EI-TOF; MS; 2 TMS; BP:73
PR010061
GC-EI-TOF; MS; n TMS; RT:435.894 sec
OUF00312
LC-ESI-ITFT; MS2; m/z:132.10; POS
KNA00042
LC-ESI-ITFT; MS2; m/z:132.10; POS
KNA00321
LC-ESI-ITFT; MS2; m/z:133.10; POS
KNA00043
LC-ESI-ITFT; MS2; m/z:133.10; POS
KNA00322
LC-ESI-ITFT; MS; POS
KNA00041
LC-ESI-ITFT; MS; POS
KNA00320
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003172
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001175
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003173
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001176
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003174
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001177
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003175
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001178
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003176
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001179
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
RP000801
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
RP000811
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
RP000802
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
RP000803
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
OUF00313
L-LEUCINE
1 spectrum
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
EI-B; MS
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]+
PR030011
EI-B; MS; 2 TMS; RT: 451.26 s
GLS00004
GC-EI-QQ; MS; 2 TBDMS; RT:639.66 sec
OUF01003
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000049
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000158
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000159
GC-EI-TOF; MS; 2 TMS; BP:73
PR010034
GC-EI-TOF; MS; n TMS; RT:423.044 sec
OUF00305
LC-ESI-ITFT; MS2; m/z:132.10; POS
KNA00126
LC-ESI-ITFT; MS2; m/z:132.10; POS
KNA00361
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003277
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001261
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003278
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001262
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003279
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001263
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003280
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001264
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003281
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
RP000601
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
RP000611
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
RP000602
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
RP000603
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100496
L-Lysine
5 spectra
C6H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.10553
GC-EI-QQ; MS; 3 TBDMS; RT:491.38843
OUF01014
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
RP001101
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
RP001102
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
RP001112
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
RP001103
L-MENTHOL
2 spectra
C10H20O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.15141
EI-B; MS
JP002472
EI-B; MS
JP006346
L-MENTHONE
1 spectrum
C10H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.13577
EI-B; MS
JP004932
L-MENTHYL 2-METHYLBUTYRATE
1 spectrum
C15H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.20892
EI-B; MS
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
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
JP001157
L-MENTHYL 3-OXOHEXANOATE
1 spectrum
C16H28O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.20383
EI-B; MS
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
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]+
PR030013
EI-B; MS; 2 TMS; RT: 596.79 s
GLS00029
GC-EI-QQ; MS; 2 TBDMS; RT:755.64 sec
OUF01007
GC-EI-TOF; MS; 2 TMS; BP:128
KZ000050
GC-EI-TOF; MS; 2 TMS; BP:73
PR010035
GC-EI-TOF; MS; n TMS; RT:560.194 sec
OUF00317
LC-ESI-ITFT; MS2; m/z:121.06; POS
KNA00078
LC-ESI-ITFT; MS2; m/z:138.09; POS
KNA00079
LC-ESI-ITFT; MS2; m/z:150.06; POS
KNA00080
LC-ESI-ITFT; MS2; m/z:150.06; POS
KNA00301
LC-ESI-ITFT; MS2; m/z:193.07; POS
KNA00302
LC-ESI-ITFT; MS2; m/z:268.10; POS
KNA00303
LC-ESI-ITFT; MS; POS
KNA00077
LC-ESI-ITFT; MS; POS
KNA00300
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003332
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001310
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003333
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001311
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003334
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001312
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003335
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO001313
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003336
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO001314
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
RP001901
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
RP001902
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
RP001903
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
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
GLS00110
GC-EI-TOF; MS; 2 TMS; BP:128
PR010063
GC-EI-TOF; MS; n TMS; RT:703.894 sec
OUF00318
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100168
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100582
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
GLS00050
EI-B; MS; 2 TMS; RT: 480.88 s
GLS00052
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000051
GC-EI-TOF; MS; 2 TMS; BP:158
KZ000160
GC-EI-TOF; MS; 2 TMS; BP:73
PR010064
GC-EI-TOF; MS; n TMS; RT:383.494 sec
OUF00393
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
RP002201
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
RP002211
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
RP002202
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
RP002203
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
PR100170
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100169
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100583
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
PR010065
GC-EI-TOF; MS; x TMS; BP:144
KZ000235
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100171
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100584
L-Ornithine
23 spectra
C5H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
132.08987
EI-B; MS; 4 TMS; RT: 746.54 s
GLS00078
GC-EI-TOF; MS; 2 TMS; BP:142
KZ000236
GC-EI-TOF; MS; 2 TMS; BP:73
PR010066
GC-EI-TOF; MS; n TMS; RT:693.694 sec
OUF00319
LC-ESI-ITFT; MS2; m/z:116.07; POS
KNA00154
LC-ESI-ITFT; MS2; m/z:116.07; POS
KNA00425
LC-ESI-ITFT; MS2; m/z:131.08; NEG
KNA00563
LC-ESI-ITFT; MS2; m/z:133.10; POS
KNA00155
LC-ESI-ITFT; MS2; m/z:133.10; POS
KNA00426
LC-ESI-ITFT; MS2; m/z:265.19; POS
KNA00156
LC-ESI-ITFT; MS2; m/z:285.15; NEG
KNA00564
LC-ESI-ITFT; MS2; m/z:287.13; NEG
KNA00565
LC-ESI-ITFT; MS; NEG
KNA00562
LC-ESI-ITFT; MS; POS
KNA00153
LC-ESI-ITFT; MS; POS
KNA00424
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO003632
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO001532
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO003633
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO001533
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO003634
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO001534
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO003635
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO003636
L-PHENYLALANINE METHYL ESTER
1 spectrum
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
EI-B; MS
JP009514
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