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Name
Formula / Structure
ExactMass
ID
L-3-Methylhistidine
8 spectra
C7H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.08513
LC-ESI-IT; MS2; m/z: 168.1; [M-H]-
MSBNK-Metabolon-MT000090
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003467
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003468
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003469
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003470
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003471
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100385
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100835
L-5-Oxoproline
24 spectra
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.04259
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010068
LC-ESI-IT; MS2; m/z: 130.1; [M+H]+
MSBNK-Metabolon-MT000142
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003647
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003818
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001535
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001681
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003648
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003819
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001536
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001682
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003649
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003820
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001537
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001683
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003650
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003821
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001538
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001684
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003651
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003822
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001539
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001685
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100174
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100586
L-6-Deoxygalactose, L-Fucopyranose, Fuc, L-Galacto...
1 spectrum
C6H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.15700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS115403
L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrroli...
2 spectra
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102870
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202870
L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrroli...
5 spectra
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028707
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028708
L-Aad, L-Homoglutamic acid, L-2-Aminoadipic Acid ,...
2 spectra
C6H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.15700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106380
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206380
L-Aad, L-Homoglutamic acid, L-2-Aminoadipic Acid ,...
2 spectra
C6H11NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.15700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063802
L-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-JP007409
L-Alanine
18 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
CE-ESI-TOF; MS; [M+H]+
MSBNK-RIKEN-PR030001
EI-B; MS; 2 TMS; RT: 335.10 s
MSBNK-GL_Sciences_Inc-GLS00023
EI-B; MS; 3 TMS; RT: 508.11 s
MSBNK-GL_Sciences_Inc-GLS00026
GC-EI-QQ; MS; 2 TBDMS; RT:565.74 sec
MSBNK-Osaka_Univ-OUF01000
GC-EI-TOF; MS; 1 TMS; BP:116
MSBNK-Kazusa-KZ000221
GC-EI-TOF; MS; 3 TMS; BP:116
MSBNK-RIKEN-PR010056
GC-EI-TOF; MS; n TMS; RT:316.344 sec
MSBNK-Osaka_Univ-OUF00104
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002053
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000021
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002054
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000022
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002055
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000023
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002056
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002057
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP000201
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP000211
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP000202
L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic...
5 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.09400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026404
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026405
L-alanyl-L-alanine
2 spectra
C6H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.08479
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML004601
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML004651
L-allo-Threonine
2 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.05824
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100315
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100747
L-allo-threonine, L-Allothreonine, (2S,3S)-2-Amino...
2 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.12000
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106950
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206950
L-allo-threonine, L-Allothreonine, allo-Thr, (2S,3...
3 spectra
C4H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.12000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS069501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS069502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS069503
L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid...
2 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.12100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT109760
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209760
L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid...
4 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.12100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097605
L-alpha-Glycerophosphorylcholine, sn-Glycero-3-pho...
1 spectrum
[C8H21NO6P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.23300
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106810
L-alpha-Phosphatidylethanolamine (Soy)
1 spectrum
C39H74NO8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
715.51520
LC-ESI-ITFT; MS2; CE 20.0 eV; [M-H]-
MSBNK-MPI_for_Chemical_Ecology-CE000258
L-Anserine
17 spectra
C10H16N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.12224
LC-ESI-IT; MS2; m/z: 241; [M+H]+
MSBNK-Keio_Univ-KO008819
LC-ESI-IT; MS3; m/z: 241/109; [M+H]+
MSBNK-Keio_Univ-KO008822
LC-ESI-IT; MS3; m/z: 241/170; [M+H]+
MSBNK-Keio_Univ-KO008821
LC-ESI-IT; MS3; m/z: 241/224; [M+H]+
MSBNK-Keio_Univ-KO008820
LC-ESI-IT; MS4; m/z: 241/224/180; [M+H]+
MSBNK-Keio_Univ-KO008823
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002328
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000228
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002329
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000229
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002330
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000230
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002331
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000231
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002332
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000232
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100392
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100845
L-Arabinose
2 spectra
C5H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.05283
EI-B; MS; 4 TMS; RT: 675.45 s
MSBNK-GL_Sciences_Inc-GLS00178
GC-EI-TOF; MS; n TMS; RT:621.494 sec
MSBNK-Osaka_Univ-OUF00118
L-Arginine
15 spectra
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11166
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00807
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00808
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00809
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00800
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00801
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00802
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00803
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00804
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00805
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00806
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000946
LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
MSBNK-BGC_Munich-RP001201
LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
MSBNK-BGC_Munich-RP001202
LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
MSBNK-BGC_Munich-RP001203
L-Arginine monohydrochloride, Argamine, 2-Amino-5-...
3 spectra
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.20399
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102650
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT102653
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT202650
L-Arginine monohydrochloride, Argamine, 2-Amino-5-...
6 spectra
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.20399
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026505
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS026507
L-Arginine standard
1 spectrum
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11169
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P100801_EF88
L-ASCORBIC ACID
1 spectrum
C6H8O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.03209
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006292
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