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Name
Formula / Structure
ExactMass
ID
DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-...
2 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.12000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT103800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT203800
DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-...
3 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.12000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS038001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS038002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS038003
DL-2-Aminobutyric acid
2 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100328
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100764
DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoi...
2 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.12100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT107580
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT207580
DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoi...
3 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.12100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS075803
DL-2-HYDROXYBUTANOIC ACID
1 spectrum
C4H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.04734
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001283
DL-2-Hydroxyvaleric acid
1 spectrum
C5H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.06299
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100857
DL-2-Hydroxyvaleric acid sodium salt hydrate, 2-hy...
1 spectrum
C5H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.13200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS100507
DL-2-PHENYLPROPIONALDEHYDE
1 spectrum
C9H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.07317
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006282
DL-3,4-Dihydroxymandelic acid
8 spectra
C8H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.03717
GC-EI-TOF; MS; n TMS; RT:735.394 sec
MSBNK-Osaka_Univ-OUF00184
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000639
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000640
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000641
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000642
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000643
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100416
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100872
DL-3-(4-Hydroxyphenyl)lactic acid
2 spectra
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.05791
LC-ESI-IT; MS2; m/z: 181.1; [M-H]-
MSBNK-Metabolon-MT000065
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100839
DL-3-Aminoisobutyric acid
2 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100387
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100838
DL-3-Phenyllactic acid
6 spectra
C9H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.06299
LC-ESI-IT; MS2; m/z: 165.1; [M-H]-
MSBNK-Metabolon-MT000106
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001710
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001711
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001712
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001713
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001714
DL-4-Hydroxy-3-methoxymandelic acid
7 spectra
C9H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.05283
GC-EI-TOF; MS; n TMS; RT:718.418 sec
MSBNK-Osaka_Univ-OUF00062
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001061
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001062
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001063
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001064
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001065
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100846
DL-4-Hydroxyphenyllactic acid
6 spectra
C9H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.05791
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP029401
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP029411
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP029402
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP029412
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP029403
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP029413
DL-5-Hydroxylysine
2 spectra
C6H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.10043
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100386
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100837
DL-5-Hydroxylysine hydrochloride, 5-Hydroxy-Lys, 2...
2 spectra
C6H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.18900
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT109710
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209710
DL-6,8-Epidithiooctanamide, DL-Thioctamide, 1,2-Di...
2 spectra
C8H15NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.34399
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS062701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS062702
DL-6,8-Epidithiooctanamide, Thioctamide, DL-Thioct...
2 spectra
C8H15NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.34399
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS021501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS021502
DL-6,8-Thioctic acid
5 spectra
C8H14O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.04352
GC-EI-TOF; MS; 1 TMS; BP:123
MSBNK-Kazusa-KZ000011
GC-EI-TOF; MS; 1 TMS; BP:123
MSBNK-Kazusa-KZ000107
GC-EI-TOF; MS; 1 TMS; BP:123
MSBNK-Kazusa-KZ000108
GC-EI-TOF; MS; 1 TMS; BP:73
MSBNK-RIKEN-PR010194
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100548
DL-a,d-Diaminopimelic acid
2 spectra
C7H14N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.09537
EI-B; MS; n TMS; RT: 818.95 s
MSBNK-GL_Sciences_Inc-GLS00101
GC-EI-TOF; MS; n TMS; RT:761.156 sec
MSBNK-Osaka_Univ-OUF00205
DL-ALANINE
1 spectrum
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010310
DL-Allothreonine
2 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
EI-B; MS; 3 TMS; RT: 526.68 s
MSBNK-GL_Sciences_Inc-GLS00027
GC-EI-TOF; MS; n TMS; RT:489.344 sec
MSBNK-Osaka_Univ-OUF00112
DL-ALPHA,3,4-TRI(TRIMETHYLSILYL)OXY-PHENYLACETIC A...
1 spectrum
C20H40O5Si4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
472.19528
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001083
DL-alpha,epsilon-Diaminopimelic acid
3 spectra
C7H14N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.09537
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100129
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100128
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100543
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