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23,222 molecules found

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• (1-quinoxalin-2-yltriazol-4-yl)methyl prop-2-enoate Molecule

  InChIKey	XJHPHMLSCVFADT-UHFFFAOYSA-N
  Molecular Formula	C14H11N5O2

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • distortionless enhancement with polarization transfer (DEPT)
  • mass spectrometry (MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • distortionless enhancement with polarization transfer (DEPT)

• (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]+

• (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)

  • Dehydroisoandrosterone-3-sulfate; GC-EI-TOF; MS; n TMS; RT:922.099 sec

• 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)

  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+NH4]+
  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+NH4]+
  • Dihydrosamidin; LC-ESI-QQQ; MS; [M+H]+
  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+NH4]+
  • Dihydrosamidin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+NH4]+

• (10-methylanthracen-9-yl)methyl 2,2-dimethylpropanoate Molecule

  InChIKey	DJMFMJYBGUQQCQ-UHFFFAOYSA-N
  Molecular Formula	C21H22O2

  

  
  

  Related Dataset(s)

  • (10-METHYL-9-ANTHRYL)METHYL PIVALATE; EI-B; MS

• (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]-

• (10E,12Z)-octadeca-10,12-dienoic acid Molecule

  InChIKey	GKJZMAHZJGSBKD-NMMTYZSQSA-N
  Molecular Formula	C18H32O2

  

  
  

  Related Dataset(s)

  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
  • 10E, 12Z-Linoleic acid; LC-ESI-QTOF; MS

• (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)

  • Ergosta-4,22-dien-3-one; LC-ESI-QQQ; MS; [M+H]+

• (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)

  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

• (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]+

• (10R,13S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydroc... Molecule

  InChIKey	RJKFOVLPORLFTN-KKINBUFLSA-N
  Molecular Formula	C21H30O2

  

  
  

  Related Dataset(s)

  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS; [M+H]+

• (10R,13S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclop... Molecule

  InChIKey	RSIHSRDYCUFFLA-DGGYFRSASA-N
  Molecular Formula	C19H26O2

  

  
  

  Related Dataset(s)

  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

• (10R,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,1... Molecule

  InChIKey	MFYSYFVPBJMHGN-BDQMTFAOSA-N
  Molecular Formula	C21H28O5

  

  
  

  Related Dataset(s)

  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

• (10R,13S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocy... Molecule

  InChIKey	RSIHSRDYCUFFLA-PPORCNLBSA-N

  

  
  

  Related Dataset(s)

  • AEIV-051B_C17_OH_AD_03.05.2025_FULL[6]
  • AEIV-051B_C17_OH_AD_03.05.2025_FULL[9]

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