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Name
Formula / Structure
ExactMass
ID
ADIPIC ACID DIISOPROPYL ESTER
2 spectra
C12H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.15181
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007420
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007329
ADIPIC ACID DIMETHYL ESTER
1 spectrum
C8H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.08920
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007326
ADIPIC ACID DIPROPYL ESTER
3 spectra
C12H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.15181
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007419
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007328
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008068
ADIPIC ACID ISOPROPYL ESTER
1 spectrum
C12H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.15181
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008069
ADIPICACID 3-METHYL-1,5-PENTANDIOL DIESTER
1 spectrum
C12H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.13615
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010107
ADIPONITRILE
1 spectrum
C6H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
108.06875
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007368
ADONA
4 spectra
C7H2F12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.97610
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M]-
MSBNK-Athens_Univ-AU593280
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M]-
MSBNK-Athens_Univ-AU593281
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M]-
MSBNK-Athens_Univ-AU593282
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M]-
MSBNK-Athens_Univ-AU593283
Adonirubin
1 spectrum
C40H52O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
580.39166
FAB-EBEB; MS2; m/z: 580.39; [M]*+
MSBNK-Kyoto_Univ-CA000140
Adonite, Ribitol, Pentitol, 1,2,3,4,5-Pentanepento...
1 spectrum
C5H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.14600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016807
Adonixanthin
1 spectrum
C40H54O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
582.40729
FAB-EBEB; MS2; m/z: 582.41; [M]*+
MSBNK-Kyoto_Univ-CA000141
ADP
3 spectra
C10H15N5O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.02942
LC-ESI-ITFT; MS2; m/z:426.02; NEG
MSBNK-NAIST-KNA00825
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00824
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100514
ADP, Adenosine-5'-diphosphate Di(monocyclohexylamm...
8 spectra
C10H15N5O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.20700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010904
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010905
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010906
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010907
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS010908
ADP, Adenosine-5'-diphosphate Di(monocyclohexylamm...
1 spectrum
C10H15N5O10P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.20700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT201090
ADP-glc, Adenosine-5'-diphospho-glucose disodium s...
11 spectra
C16H25N5O15P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
589.34802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016604
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016605
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016606
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016608
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016609
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016610
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS016612
ADpSGEGDFXAEGGGVR
1 spectrum
C63H98N19O29P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1615.65149
LC-ESI-IT; MS2; m/z: 809.0; [M+2H]2+
MSBNK-Metabolon-MT000091
Adrafinil
4 spectra
C15H15NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
289.07727
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001986
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001985
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001984
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA001983
Adrenalone
7 spectra
C9H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.07388
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001863
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001862
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001861
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001860
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001859
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001858
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001857
Adrenoglomerulotropin
4 spectra
C13H16N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.28529
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02767
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02766
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02765
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02768
ADRENOLUTIN
1 spectrum
C9H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.05824
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004106
ADSGEGDFXAEGGGVR
1 spectrum
C63H97N19O26
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1535.68518
LC-ESI-IT; MS2; m/z: 769.0; [M+2H]2+
MSBNK-Metabolon-MT000043
ADV-N5
5 spectra
C17HClF32O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
959.88995
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01168251
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01168252
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ01168253
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ01168254
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag-EQ01168255
Aerucyclamide A
9 spectra
C24H34N6O4S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
534.20831
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ436307
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ436301
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ436308
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag-EQ436309
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ436302
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ436303
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ436304
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ436305
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ436306
Aesculetin
8 spectra
C9H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.02661
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00077
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00078
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00079
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00080
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00081
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO00082
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO00083
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
MSBNK-Fiocruz-FIO00084
Aesculin
5 spectra
C15H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.28940
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01771
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01770
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01769
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01772
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000248
Afidopyropen
9 spectra
C33H39NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
593.26251
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119907
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119901
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119908
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119909
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119902
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119903
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119904
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119905
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01119906
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