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(1-methyl-4-prop-1-en-2-ylcyclohexyl) acetate Molecule
InChIKey URVNHQCLMBMWIW-UHFFFAOYSA-N Molecular Formula C12H20O2
Related Dataset(s)
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(1-methyl-4-propan-2-ylcyclohexyl) 1-benzylpyrrolidine-3-carboxylate Molecule
InChIKey ULEFDVPTRAHPIR-UHFFFAOYSA-N Molecular Formula C22H33NO2
Related Dataset(s)
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(1-methyl-5-nitroimidazol-2-yl)methyl carbamate Molecule
InChIKey PQFRTXSWDXZRRS-UHFFFAOYSA-N Molecular Formula C6H8N4O4
Related Dataset(s)
- Ronidazole; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Ronidazole; LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.1 eV; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
- Ronidazole; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
-
(1-methylindol-2-yl)-phenylmethanone Molecule
InChIKey NMPRIZDUHXAJTF-UHFFFAOYSA-N Molecular Formula C16H13NO
Related Dataset(s)
-
(1-methylindol-3-yl)-phenylmethanone Molecule
InChIKey STRIBORQTQQOGQ-UHFFFAOYSA-N Molecular Formula C16H13NO
Related Dataset(s)
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(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'... Molecule
InChIKey IRXDUBNENLKYTC-UHFFFAOYSA-N Molecular Formula C17H24O6
Related Dataset(s)
- 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
- 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
- 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
- 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
- 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
- 15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
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(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]p... Molecule
InChIKey CZWCKYRVOZZJNM-UHFFFAOYSA-N Molecular Formula C19H28O5S
Related Dataset(s)
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7,8-Dihydroxy calonectrin; 7,8-Dihydroxycalonectrin; 7alpha,8alpha-Dihydroxyc... Molecule
InChIKey JSKXQQKSUOVSKS-UHFFFAOYSA-N Molecular Formula C19H26O8
Related Dataset(s)
- 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+
- 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
- 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
- 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
- 7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+
-
(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 3-met... Molecule
InChIKey ALKTVPFKDYZFGA-UHFFFAOYSA-N Molecular Formula C21H24O7
Related Dataset(s)
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(10-methylanthracen-9-yl)methyl 2,2-dimethylpropanoate Molecule
InChIKey DJMFMJYBGUQQCQ-UHFFFAOYSA-N Molecular Formula C21H22O2
Related Dataset(s)
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(10E,12E)-9-oxooctadeca-10,12-dienoic acid Molecule
InChIKey LUZSWWYKKLTDHU-SIGMCMEVSA-N Molecular Formula C18H30O3
Related Dataset(s)
- 9-KODE; LC-ESI-QIT; MS2; CE:50 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:35 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:30 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:25 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:45 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:15 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:40 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:10 V; [M-H]-
- 9-KODE; LC-ESI-QIT; MS2; CE:20 V; [M-H]-
-
(10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid Molecule
InChIKey NPDSHTNEKLQQIJ-ZJHFMPGASA-N Molecular Formula C18H32O3
Related Dataset(s)
- 9-HODE; LC-ESI-QIT; MS2; CE:40 V; [M-H]-
- 9-HODE; LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
- 9-HODE; LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:15 V; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:45 V; [M-H]-
- 9-HODE; LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
- 9-HODE; LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:50 V; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:35 V; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:10 V; [M-H]-
- 9-HODE; LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:25 V; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:30 V; [M-H]-
- 9-HODE; LC-ESI-QIT; MS2; CE:20 V; [M-H]-
- 9-HODE; LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
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(10E,12Z)-octadeca-10,12-dienoic acid Molecule
InChIKey GKJZMAHZJGSBKD-NMMTYZSQSA-N Molecular Formula C18H32O2
Related Dataset(s)
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(10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid Molecule
InChIKey RIGGEAZDTKMXSI-CUHSZNQNSA-N Molecular Formula C18H30O3
Related Dataset(s)
- 9-HOTrE; LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
- 9-HOTrE; LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
- 9-HOTrE; LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
- 9-HOTrE; LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
- 9-HOTrE; LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
- 9-HOTrE; LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
-
(10R,11R,13R,14S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3S)-2,3,6-tri... Molecule
InChIKey WSBAGDDNVWTLOM-ULTQMYNUSA-N Molecular Formula C27H44O8
Related Dataset(s)
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HOO]-
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HOO]-
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HOO]-
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HOO]-
- turkesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
-
(10R,13R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,1... Molecule
InChIKey OWYXOXZSAKVGHJ-LLOVBHQPSA-N Molecular Formula C28H44O
Related Dataset(s)
-
(10R,13R,14S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,1... Molecule
InChIKey VNLQNGYIXVTQRR-BLMSIPRSSA-N Molecular Formula C21H30O5
Related Dataset(s)
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
- Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Poststerone; LC-ESI-QQQ; MS; [M+H]+
-
(10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3S)-2,3,6-trihydroxy-6... Molecule
InChIKey NKDFYOWSKOHCCO-XSFZOHFFSA-N Molecular Formula C27H44O7
Related Dataset(s)
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS; [M+H]+
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
-
(10R,13S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclope... Molecule
InChIKey QADHLRWLCPCEKT-JRQDRJMYSA-N Molecular Formula C19H30O2
Related Dataset(s)
-
(10R,13S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]p... Molecule
InChIKey AEMFNILZOJDQLW-WFZCBACDSA-N Molecular Formula C19H26O2
Related Dataset(s)
- Androstenedione; LC-APPI-QQ; MS2; CE:30 V; [M+H]+
- Androstenedione; LC-APPI-QQ; MS2; CE:60 V; [M+H]+
- Androstenedione; LC-ESI-QQQ; MS; [M+H]+
- Androstenedione; LC-APPI-QQ; MS2; CE:50 V; [M+H]+
- Androstenedione; LC-APPI-QQ; MS2; CE:40 V; [M+H]+
- Androstenedione; LC-APPI-QQ; MS
- Androstenedione; LC-APPI-QQ; MS2; CE:10 V; [M+H]+
- Androstenedione; LC-APPI-QQ; MS2; CE:20 V; [M+H]+
