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Name
Formula / Structure
ExactMass
ID
(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
(S)-3-Methylheptyl bromide
1 spectrum
C8H17Br
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.05141
GC-FI-TOF; MS; M*+; FI voltage 10 kV
MSBNK-MSSJ-MSJ00100
(S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(al...
11 spectra
C28H34O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.56500
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086004
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086005
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086007
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086008
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086009
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086010
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086011
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS086012
(S)-4-methyloctadecanal
2 spectra
C19H38O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.29230
GC-EI-TOF; MS; positive; EI; M+*.
MSBNK-MSSJ-MSJ00103
GC-FI-TOF; MS; M*+; [M+H]+; FI voltage 10 kV
MSBNK-MSSJ-MSJ00104
(S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alph...
3 spectra
C28H34O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.56598
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT108650
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT208650
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT208653
(S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phen...
4 spectra
C9H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.17700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096407
(S)-Citronellyl benzyl ether
2 spectra
C17H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.19836
GC-EI-BE; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00551
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00552
(S)-Citronellyl pivalate
2 spectra
C15H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.20892
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00571
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00572
(S)-Luteanine
4 spectra
C20H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
341.41061
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00627
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00626
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00625
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00628
(S)-Mandelic acid
5 spectra
C8H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.04733
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001417
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001418
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001419
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001420
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001421
(S)-N-(TERT-BUTOXYCARBONYL)LEUCINE
1 spectrum
C11H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.14706
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005446
(S)-N-methyl-pregabalin
16 spectra
C9H19NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.14160
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111012739
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111012738
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111012747
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111012743
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111012735
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111012740
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111012733
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111012744
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111012741
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012732
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012746
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111012742
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111012737
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111012745
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111012736
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111012734
(S)-N-TERT-BUTOXYCARBONYL-2-(1-PYRROLIN-2-YL)PYRRO...
1 spectrum
C13H22N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.16814
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005466
(S)-N-TERT-BUTOXYCARBONYL-2-FORMYLPYRROLIDINE
1 spectrum
C10H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
199.12083
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005468
(S)-Octa-1,7-dien-4-ol
2 spectra
C8H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.10447
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ02074
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02075
(S,R)-Noscapine
5 spectra
C22H23NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.14746
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80092
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00280
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00289
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00298
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80090
(S,S)-(+)-Tetrandrine
15 spectra
C38H42N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
622.30426
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80097
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301495
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301503
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301506
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301510
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301514
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301518
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301522
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301526
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301530
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301534
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301537
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310447
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80095
(Tert-Butoxycarbonylmethyl)triphenylphosphonium
16 spectra
[C24H26O2P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.16650
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111012332
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111012325
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111012333
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111012337
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111012329
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111012327
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111012328
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111012336
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111012330
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012331
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111012338
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111012326
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111012339
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111012324
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111012334
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111012335
(TERT-BUTYL)(2-(3,5-DITRIMETHYLSILYLOXYPHENYL)-2-T...
1 spectrum
C21H43NO3Si3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
441.25507
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005155
(TRANS)FLAVAN-4-OL ACETATE
2 spectra
C17H16O3
268.10995
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001251
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001252
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