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7,842 Hit.
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Name
Formula / Structure
ExactMass
ID
DL-HISTIDINE MONOHYDROCHLORIDE MONOHYDRATE
1 spectrum
C6H12ClN3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
209.05672
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011332
DL-Homocysteic acid
1 spectrum
C4H9NO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.02014
GC-EI-TOF; MS; n TMS; RT:713.470 sec
MSBNK-Osaka_Univ-OUF00189
DL-Homocysteine
3 spectra
C4H9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.03540
EI-B; MS; 3 TMS; RT: 671.64 s
MSBNK-GL_Sciences_Inc-GLS00032
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010118
GC-EI-TOF; MS; n TMS; RT:627.661 sec
MSBNK-Osaka_Univ-OUF00191
DL-Homocystine
7 spectra
C8H16N2O4S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.05515
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010119
GC-EI-TOF; MS; n TMS; RT:950.717 sec
MSBNK-Osaka_Univ-OUF00194
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001052
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001053
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001054
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001055
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001056
DL-Isocitric acid
15 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-TOF; MS; 4 TMS; BP:147
MSBNK-Kazusa-KZ000038
GC-EI-TOF; MS; 4 TMS; BP:147
MSBNK-Kazusa-KZ000145
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010151
LC-ESI-ITFT; MS2; m/z:173.01; NEG
MSBNK-NAIST-KNA00793
LC-ESI-ITFT; MS2; m/z:175.02; POS
MSBNK-NAIST-KNA00421
LC-ESI-ITFT; MS2; m/z:191.02; NEG
MSBNK-NAIST-KNA00794
LC-ESI-ITFT; MS2; m/z:193.03; POS
MSBNK-NAIST-KNA00422
LC-ESI-ITFT; MS2; m/z:224.13; POS
MSBNK-NAIST-KNA00423
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00792
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00420
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001160
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001161
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001162
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001163
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001164
DL-Lactic acid
1 spectrum
C3H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
90.03169
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100774
DL-Leucine
3 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81127
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81126
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81125
DL-LEUCYL-DL-LEUCINE
1 spectrum
C12H24N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.17870
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009556
DL-LEUCYLGLYCYLGLYCINE
1 spectrum
C10H19N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
245.13756
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009559
DL-Malic acid
2 spectra
C4H6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.02151
EI-B; MS; 3 TMS; RT: 579.19 s
MSBNK-GL_Sciences_Inc-GLS00162
GC-EI-TOF; MS; n TMS; RT:540.743 sec
MSBNK-Osaka_Univ-OUF00337
DL-Mandelic acid
1 spectrum
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100874
DL-MANDERIC ACID
2 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011335
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011565
DL-Methionine sulfoxide
4 spectra
C5H11NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.04596
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81133
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81132
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81131
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81130
dl-Norgestrel
3 spectra
C21H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.20892
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001433
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001432
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001431
DL-Norphenylephrine
4 spectra
C8H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.07898
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81138
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81137
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81136
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81135
DL-Norvaline
2 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
EI-B; MS; 2 TMS; RT: 430.04 s
MSBNK-GL_Sciences_Inc-GLS00035
GC-EI-TOF; MS; n TMS; RT:404.641 sec
MSBNK-Osaka_Univ-OUF00199
DL-PARA-ALPHA-BIS(TRIMETHYLSILYL)OXY-PHENYLACETIC ...
1 spectrum
C17H32O4Si3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.16083
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001064
DL-Pipecolic acid
12 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.07898
GC-EI-TOF; MS; n TMS; RT:480.339 sec
MSBNK-Osaka_Univ-OUF00200
LC-ESI-IT; MS2; m/z: 130.1; [M+H]+
MSBNK-Metabolon-MT000096
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003743
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001631
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003744
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001632
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003745
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001633
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003746
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001634
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003747
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001635
DL-Pipecolinic acid
3 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.07898
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100437
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100436
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100888
DL-Pipecolinic acid, Homoproline, (2S)-piperidine-...
3 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.15900
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110970
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110973
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210970
DL-Pipecolinic acid, Homoproline, 6-carboxypiperid...
6 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.15900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109705
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS109706
DL-Pyroglutamic acid
2 spectra
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.04259
EI-B; MS; n TMS; RT: 598.73 s
MSBNK-GL_Sciences_Inc-GLS00072
GC-EI-TOF; MS; n TMS; RT:563.643 sec
MSBNK-Osaka_Univ-OUF00201
dl-Tartaric acid
3 spectra
C4H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.01643
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000108
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000107
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000106
DL-Thioctamide
8 spectra
C8H15NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.05951
LC-ESI-IT; MS2; m/z: 206; [M+H]+
MSBNK-Keio_Univ-KO009031
LC-ESI-IT; MS3; m/z: 206/161; [M+H]+
MSBNK-Keio_Univ-KO009033
LC-ESI-IT; MS3; m/z: 206/189; [M+H]+
MSBNK-Keio_Univ-KO009032
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003312
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003313
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003314
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003315
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003316
DL-Thioctic acid
5 spectra
C8H14O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.04352
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81143
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01301
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01306
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81141
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81140
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