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23,335 molecules found

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• (1R,2'S,12R,14R)-12-methyl-2'-(2-methylpropyl)spiro[13-oxa-2,10,17-triazatetr... Molecule

  InChIKey	SJNRYASCJOVKHZ-MBLBISRUSA-N
  Molecular Formula	C27H27N5O4

  

  
  

  Related Dataset(s)

  • Fumiquinazoline H; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
  • Fumiquinazoline H; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+
  • Fumiquinazoline H; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
  • Fumiquinazoline H; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+

• (1R,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol Molecule

  InChIKey	YAPXSYXFLHDPCK-NANKYBSHSA-N
  Molecular Formula	C20H34O

  

  
  

  Related Dataset(s)

  • (1R,2E,4R,7E,11E)-4-HYDROXYCEMBRA-2,7,11-TRIENE; EI-B; MS

• (1R,2E,6E,10E,14R)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-2,6,10-tr... Molecule

  InChIKey	AZUVBPVDRHGGEP-CHHSKAHISA-N
  Molecular Formula	C20H32O

  

  
  

  Related Dataset(s)

  • (3E,7E,11E)-2-HYDROXYCEMBRA-3,7,11,15-TETRAENE; EI-B; MS

• (1R,2E,6E,10E,14S)-14-(3-hydroxyprop-1-en-2-yl)-3,7,11-trimethylcyclotetradec... Molecule

  InChIKey	VUIHPHBVTNHHIN-IDCFYYSISA-N
  Molecular Formula	C20H32O2

  

  
  

  Related Dataset(s)

  • (1S,2R,3E,7E,11E)-2,17-DIHYDROXYCEMBRA-3,7,11,15-TETRAENE; EI-B; MS

• (1R,2E,6E,10E,14S)-7-(hydroxymethyl)-14-[(E)-1-hydroxyprop-1-en-2-yl]-3,11-di... Molecule

  InChIKey	NOLQVIDYFVOCMG-BAOFUKJUSA-N
  Molecular Formula	C20H32O3

  

  
  

  Related Dataset(s)

  • (1S,2R,3E,7E,11E)-2,16,19-TRIHYDROXYCEMBRA-3,7,11,15-TETRAENE; EI-B; MS

• (1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol Molecule

  InChIKey	DTGKSKDOIYIVQL-VWHDNNRLSA-N
  Molecular Formula	C10H18O

  

  
  

  Related Dataset(s)

  • EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-OL; EI-B; MS

• (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol Molecule

  InChIKey	TVYLLZQTGLZFBW-ZBFHGGJFSA-N
  Molecular Formula	C16H25NO2

  

  
  

  Related Dataset(s)

  • Tramadol; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; CE: Ramp 20.3-30.5 eV; R=35000; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
  • Tramadol; LC-ESI-Q; MS; POS; 75 V, 90 V
  • Tramadol; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; 80 V
  • Tramadol; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; 90 V
  • Tramadol; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; 10 V
  • Tramadol; LC-ESI-QTOF; MS2; 50 V
  • Tramadol; LC-ESI-QTOF; MS2; 120 V
  • Tramadol; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
  • Tramadol; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; 60 V
  • Tramadol; LC-ESI-QTOF; MS2; 20 V
  • Tramadol; LC-ESI-QTOF; MS2; 70 V
  • Tramadol; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; 130 V
  • Tramadol; LC-ESI-QTOF; MS2; 110 V
  • Tramadol; LC-ESI-QTOF; MS2; 150 V
  • Tramadol; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; 40 V
  • Tramadol; LC-ESI-QTOF; MS2; 100 V
  • Tramadol; LC-ESI-QTOF; MS2; 140 V
  • Tramadol; LC-ESI-QTOF; MS2; 40 V
  • Tramadol; LC-ESI-Q; MS; POS; 15 V, 30 V
  • Tramadol; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
  • Tramadol; LC-ESI-QTOF; MS2; 30 V
  • Tramadol; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
  • Tramadol; LC-ESI-Q; MS; POS; 60 V
  • Tramadol; LC-ESI-Q; MS; POS; 45 V

• (1R,2R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-t... Molecule

  InChIKey	JVPASJUYZJKFHY-HWFHZMFDSA-N
  Molecular Formula	C40H56O4

  

  
  

  Related Dataset(s)

  • Nostoxanthin; FAB-EBEB; MS2; m/z: 600.42; [M]*+
  • Nostoxanthin; LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 40 V

• (1R,2R)-cyclohexane-1,2-dicarboxylic acid Molecule

  InChIKey	QSAWQNUELGIYBC-PHDIDXHHSA-N
  Molecular Formula	C8H12O4

  

  
  

  Related Dataset(s)

  • TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID; EI-B; MS
  • TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID; EI-B; MS

• (1R,2R)-cyclohexane-1,2-diol Molecule

  InChIKey	PFURGBBHAOXLIO-PHDIDXHHSA-N
  Molecular Formula	C6H12O2

  

  
  

  Related Dataset(s)

  • TRANS-1,2-CYCLOHEXANEDIOL; EI-B; MS
  • TRANS-1,2-CYCLOHEXANEDIOL; EI-B; MS

• (1R,2R,3E,7S,11E,13S,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadec... Molecule

  InChIKey	KQNZDYYTLMIZCT-KQPMLPITSA-N
  Molecular Formula	C16H24O4

  

  
  

  Related Dataset(s)

  • Brefeldin-A; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
  • Brefeldin-A; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
  • Brefeldin-A; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
  • Brefeldin-A; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
  • Brefeldin-A; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

• (1R,2R,3R,6S,7S,8S)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec... Molecule

  InChIKey	QBYJBZPUGVGKQQ-SJJAEHHWSA-N
  Molecular Formula	C12H8Cl6

  

  
  

  Related Dataset(s)

  • Aldrin; GC-EI-Q; MS; Positive; M+*

• (1R,2R,3R,6S,7S,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13... Molecule

  InChIKey	DFBKLUNHFCTMDC-GKRDHZSOSA-N
  Molecular Formula	C12H8Cl6O

  

  
  

  Related Dataset(s)

  • 1,2,3,4,10,10-HEXACHLORO-6,7-EPOXY-1,4,4A,5,6,7,8,8A-OCTAHYDRO-ENDO,ENDO-,1,4:5,8-DIMETHANONAPHTHALENE; EI-B; MS

• (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid Molecule

  InChIKey	GVGYEFKIHJTNQZ-RFQIPJPRSA-N
  Molecular Formula	C16H19NO4

  

  
  

  Related Dataset(s)

  • Benzoylecgonine; LC-ESI-Q; MS; POS; 60 V
  • Benzoylecgonine; LC-ESI-Q; MS; POS; 45 V
  • Benzoylecgonine; LC-ESI-Q; MS; POS; 75 V, 90 V
  • Benzoylecgonine; LC-ESI-Q; MS; POS; 30 V
  • Benzoylecgonine; LC-ESI-Q; MS; POS; 15 V

• (1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8... Molecule

  InChIKey	LINOMUASTDIRTM-QGRHZQQGSA-N
  Molecular Formula	C15H20O6

  

  
  

  Related Dataset(s)

  • Deoxynivalenol; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • Deoxynivalenol; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
  • Deoxynivalenol; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • Deoxynivalenol; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Deoxynivalenol; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

• Deoxynivalenol 3-glucoside; 131180-21-7; Deoxynivalenol-3-O-glucoside; HKI01R... Molecule

  InChIKey	PUMXWMGECQIOGB-SMSDQXDJSA-N
  Molecular Formula	C21H30O11

  

  
  

  Related Dataset(s)

  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 20; R=17500; [M+FA]-
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 40; R=17500; [M+FA]-
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 10; R=17500; [M+FA]-
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 55; R=17500; [M+H]+
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 30; R=17500; [M+FA]-

• (1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-[(2R,3R,... Molecule

  InChIKey	PUMXWMGECQIOGB-SMSDQXDJSA-N
  Molecular Formula	C21H30O11

  

  
  

  Related Dataset(s)

  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 40; R=17500; [M+H]+
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Deoxynivalenol-3-glucoside; LC-APCI-ITFT; MS2; CE: 55; R=17500; [M+FA]-

• (1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02... Molecule

  InChIKey	METQSPRSQINEEU-HXCATZOESA-N
  Molecular Formula	C24H30O3

  

  
  

  Related Dataset(s)

  • Drospirenone; LC-ESI-QTOF; MS2; CE: Ramp 22.9-34.4 eV; R=35000; [M+H]+
  • Drospirenone; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
  • Drospirenone; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
  • Drospirenone; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
  • Drospirenone; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
  • Drospirenone; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

• (1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl... Molecule

  InChIKey	QOCBLJWPUILPNE-DGDOQUKGSA-N
  Molecular Formula	C40H54O3

  

  
  

  Related Dataset(s)

  • Cyclodiadinoxanthin; FAB-EBEB; MS2; m/z: 582.41; [M]+*

• (1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl... Molecule

  InChIKey	ZEXQVPRPMQVOFT-DGDOQUKGSA-N
  Molecular Formula	C40H56O4

  

  
  

  Related Dataset(s)

  • Heteroxanthin; FAB-EBEB; MS2; m/z: 600.42; [M]+*

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