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23,294 molecules found

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• (1E,3E)-1-chloro-5-(1-ethoxyethoxy)-3-methylpenta-1,3-diene Molecule

  InChIKey	XJDHKKWKOPKDMF-PDTNFJSOSA-N
  Molecular Formula	C10H17ClO2

  

  
  

  Related Dataset(s)

  • 1-CHLORO-5-(1-ETHOXY)ETHOXY-3-METHYL-1,3-PENTADIENE; EI-B; MS

• (1E,3E)-1-chloro-5-ethoxy-3-methylpenta-1,3-diene Molecule

  InChIKey	DFOBSVPZOINBQL-HLQBBKRNSA-N
  Molecular Formula	C8H13ClO

  

  
  

  Related Dataset(s)

  • 1-CHLORO-5-ETHOXY-3-METHYL-1,3-PENTADIENE; EI-B; MS

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

  InChIKey	MMJDJIJUPVPKSW-NYHICDMRSA-N
  Molecular Formula	C40H56O5

  

  
  

  Related Dataset(s)

  • Isofucoxanthinol; FAB-EBEB; MS2; m/z: 616.41; [M]+*

• (1E,3Z,6E,10E,14R)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tet... Molecule

  InChIKey	DMHADBQKVWXPPM-JJDAXJIHSA-N
  Molecular Formula	C20H32

  

  
  

  Related Dataset(s)

  • (1R,2E,4Z,7E,11E)-CEMBRA-2,4,7,11-TETRAENE; EI-B; MS

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

  InChIKey	RLAFZRBJBUMWGN-JJDAXJIHSA-N
  Molecular Formula	C20H30

  

  
  

  Related Dataset(s)

  • (1R,2E,4Z,7E,11E)-CEMBRA-2,4,7,11,15-PENTAENE; EI-B; MS

• (1E,4E)-1-phenyldeca-1,4-dien-3-one Molecule

  InChIKey	GJCLYAMIBTXTMM-KAQIVPQOSA-N
  Molecular Formula	C16H20O

  

  
  

  Related Dataset(s)

  • 1-PHENYL-1,4-DECADIEN-3-ONE; EI-B; MS

• (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene Molecule

  InChIKey	FAMPSKZZVDUYOS-HRGUGZIWSA-N
  Molecular Formula	C15H24

  

  
  

  Related Dataset(s)

  • HUMULENE; EI-B; MS
  • HUMULENE; EI-B; MS

• (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one Molecule

  InChIKey	ZIUSSTSXXLLKKK-KOBPDPAPSA-N
  Molecular Formula	C21H20O6

  

  
  

  Related Dataset(s)

  • Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
  • (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.noesy
  • Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
  • Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
  • Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
  • (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.proton
  • Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
  • Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
  • Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
  • (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hmbc
  • (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.cosy
  • Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
  • Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
  • (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hsqc
  • Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

• (1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1... Molecule

  InChIKey	UEPVWRDHSPMIAZ-IZTHOABVSA-N
  Molecular Formula	C20H18O5

  

  
  

  Related Dataset(s)

  • Demethoxycurcumin; ESI-ITTOF; MS; Negative
  • Demethoxycurcumin; ESI-ITTOF; MS2; [M-H]-

• (1E,4Z,8Z,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene Molecule

  InChIKey	SPMBDLTUBLYRCT-PWOPFSNCSA-N
  Molecular Formula	C20H32

  

  
  

  Related Dataset(s)

  • FLEXIBILENE; EI-B; MS

• (1E,5E,9E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene Molecule

  InChIKey	VWSPQDDPRITBAM-KPGNMOGWSA-N
  Molecular Formula	C20H32

  

  
  

  Related Dataset(s)

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

• (1E,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene Molecule

  InChIKey	OKMQTAYLLFRHKE-UYSOGGTPSA-N
  Molecular Formula	C20H34

  

  
  

  Related Dataset(s)

  • (1S,3E,7E,11E)-CEMBRA-3,7,11-TRIENE; EI-B; MS

• (1E,5R,10S,12Z,14R,16S,17R,20S)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-... Molecule

  InChIKey	BDGOANHBKYFDGC-KTGRICDKSA-N
  Molecular Formula	C25H34O7

  

  
  

  Related Dataset(s)

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

• (1E,5Z)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene Molecule

  InChIKey	GXEGJTGWYVZSNR-JEKCHIPQSA-N
  Molecular Formula	C15H24

  

  
  

  Related Dataset(s)

  • GERMACRENE-B; EI-B; MS

• (1E,5Z)-1-[4-[4-[(1E,5Z)-cycloocta-1,5-dien-1-yl]phenyl]phenyl]cycloocta-1,5-... Molecule

  InChIKey	QNTOPDWQBCKAQE-ZNNNHQSUSA-N
  Molecular Formula	C28H30

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione Molecule

  InChIKey	VFLDPWHFBUODDF-FCXRPNKRSA-N
  Molecular Formula	C21H20O6

  

  
  

  Related Dataset(s)

  • Curcumine; LC-APCI-QTOF; MS; NEGATIVE
  • Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
  • Curcumine; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
  • Curcumine; LC-ESI-QTOF; MS; NEGATIVE
  • Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
  • Curcumine; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
  • Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdf]
  • Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdx]
  • Curcumine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
  • Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
  • Curcumine; LC-ESI-QTOF; MS; POSITIVE
  • Curcumin; LC-ESI-ITTOF; MS2; [M-H]-
  • Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdx]
  • Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
  • Curcumin; LC-ESI-ITTOF; MS; [M+H]+
  • CURCUMIN; EI-B; MS
  • Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
  • Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
  • Curcumine; LC-APCI-QTOF; MS; POSITIVE
  • Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdf]

• (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione Molecule

  InChIKey	PREBVFJICNPEKM-YDWXAUTNSA-N
  Molecular Formula	C19H16O4

  

  
  

  Related Dataset(s)

  • Bisdemethoxycurcumin; LC-ESI-ITTOF; MS2; [M-H]-
  • Bisdemethoxycurcumin; LC-ESI-ITTOF; MS; [M+H]+
  • Bisdemethoxycurcumin; LC-ESI-ITTOF; MS; [M-H]-

• (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-... Molecule

  InChIKey	HJTVQHVGMGKONQ-LUZURFALSA-N
  Molecular Formula	C20H18O5

  

  
  

  Related Dataset(s)

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

• (1E,6R,11R,13R,14S,15S,19E,21E,23S,27R)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9... Molecule

  InChIKey	MUACSCLQRGEGOE-MOCAONITSA-N
  Molecular Formula	C29H36O9

  

  
  

  Related Dataset(s)

  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+Na]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
  • Satratoxin H; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+Na]+

• (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-... Molecule

  InChIKey	GVKKJJOMQCNPGB-JTQLQIEISA-N
  Molecular Formula	C19H20O3

  

  
  

  Related Dataset(s)

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

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