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2,292 Hit.
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Name
Formula / Structure
ExactMass
ID
(S)-1-((2R,5R)-5-(Hydroxymethyl)tetrahydrofuran-2-...
2 spectra
C9H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.10995
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02099
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02100
(S)-1-((2S,5S)-5-(Hydroxymethyl)tetrahydrofuran-2-...
2 spectra
C9H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.10995
GC-EI-TOF; MS; POSITIVE; EI; 70 V
MSBNK-MSSJ-MSJ02097
GC-FI-TOF; MS; POSITIVE; FI; 10 kV
MSBNK-MSSJ-MSJ02098
(S)-1-Aminoethylphosphonic acid
1 spectrum
C2H8NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.02418
GC-EI-TOF; MS; 3 TMS; BP:116
MSBNK-RIKEN-PR010123
(S)-1-Anilino-4-methyl-2-methylthio-4-phenyl-2-imi...
4 spectra
C17H17N3OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.10919
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
MSBNK-KWR-KW101503
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
MSBNK-KWR-KW101502
LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
MSBNK-KWR-KW101501
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
MSBNK-KWR-KW101504
(S)-2,3,7,7A-TETRAHYDRO-4,7A-DIMETHYL-1H-INDENE-1,...
1 spectrum
C11H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.09938
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006369
(S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Ac...
4 spectra
C5H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
132.16299
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS028504
(S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, 2...
3 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.15900
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106120
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106123
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206120
(S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L...
6 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.15900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061206
(S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, (2...
3 spectra
C11H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.22900
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100550
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100553
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200550
(S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-...
4 spectra
C11H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.22900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005504
(S)-2-Amino-3-mercaptopropionic acid, beta-Mercapt...
1 spectrum
C3H7NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.15900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS073701
(S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoi...
5 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.17500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS005205
(S)-2-Hydroxy-2-methylsuccinic acid, L-(+)-2-Methy...
2 spectra
C5H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.11400
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106540
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206540
(S)-2-Hydroxy-2-methylsuccinic acid, L-(+)-2-Methy...
1 spectrum
C5H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.11400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS065407
(S)-2-Hydroxypropionic acid
3 spectra
C3H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
90.03169
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000980
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000981
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000979
(S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-...
4 spectra
C10H15N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.26401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS067701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS067702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS067703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS067704
(S)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ON...
1 spectrum
C10H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.10448
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005801
(S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-...
10 spectra
C27H32O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
596.53802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085904
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085907
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085908
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085909
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085910
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085911
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS085912
(S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydroc...
4 spectra
C10H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.21800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS061604
(S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydroc...
2 spectra
C10H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.21800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106160
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT206160
(S)-3-Amino-4-hydroxybutyric acid
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-PR100287
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100718
(S)-3-Amino-4-phenylbutyric acid
2 spectra
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100339
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100782
(S)-3-Amino-5-methylhexanoic acid
2 spectra
C7H15NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.11028
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100280
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100712
(S)-3-methyl-1-heptanol
2 spectra
C8H18O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.13580
GC-EI-TOF; MS; positive; EI; M+*
MSBNK-MSSJ-MSJ00095
GC-FI-TOF; MS; M*+; FI voltage 10 kV
MSBNK-MSSJ-MSJ00096
(S)-3-methylheptyl bromide
1 spectrum
C8H17Br
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.05141
GC-EI-TOF; MS; positive; EI; M+*.
MSBNK-MSSJ-MSJ00099
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