-
(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: 50eV
- (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
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- 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: 30eV
- 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: 10eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.noesy
- (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: 10eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hmbc
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
-
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentameth... Molecule
InChIKey QGJZLNKBHJESQX-FZFNOLFKSA-N Molecular Formula C30H48O3
Related Dataset(s)
- Betulic acid.cosy
- Classics_BetulinicAcid[6]
- Classics_BetulinicAcid.hsqc_tocsy
- Classics_BetulinicAcid.noesy
- Betulic acid.aptjmod
- Classics_BetulinicAcid.c13
- Classics_BetulinicAcid[1]
- Betulic acid.noesy
- Betulic acid.hmbc
- Classics_BetulinicAcid[8]
- Classics_BetulinicAcid.apt
- Classics_BetulinicAcid[4]
- Betulic acid.proton
-
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydroph... Molecule
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-N Molecular Formula C20H30O2
Related Dataset(s)
- Classics_Abietic.hsqc
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- Classics_Abietic.apt
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- Abietic acid.proton
- Classics_Abietic[3]
- Classics_Abietic[4]
- Abietic acid.apt
- Abietic acid.hsqc
- Classics_Abietic[6]
- Abietic acid; LC-APCI-QTOF; MS; POSITIVE
- ABIETIC ACID; EI-B; MS
- Abietic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Classics_Abietic[1]
- Abietic acid.noesy
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Abietic acid.hmbc
- Abietic acid.cosy
-
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]hept... Molecule
InChIKey ASUTZQLVASHGKV-JDFRZJQESA-N Molecular Formula C17H21NO3
Related Dataset(s)
- Galantamine.apt
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- Galantamine.proton
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Galantamine.noesy
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galantamine.hmbc
- Galantamine.hsqc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Galantamine.cosy
-
(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-GUBZILKMSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(1S,3S,6S,7S,8R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol Molecule
InChIKey GGHMUJBZYLPWFD-JVSQWTDWSA-N Molecular Formula C15H26O
Related Dataset(s)
-
(1S,4R,5S,8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.... Molecule
InChIKey BLUAFEHZUWYNDE-LJWSOQGGSA-N Molecular Formula C15H22O5
Related Dataset(s)
-
(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one Molecule
InChIKey USMNOWBWPHYOEA-XKSSXDPKSA-N Molecular Formula C10H16O
Related Dataset(s)
- Classics_b-Thujon.noesy
- -Thujone.apt
- -Thujone.apt
- Classics_b-Thujon.proton
- Classics_b-Thujon.hsqc
- -Thujone.hsqc
- Classics_b-Thujon[2]
- -Thujone.hmbc
- -Thujone.cosy
- Classics_b-Thujon.hmbc
- -Thujone.proton
- -Thujone.proton
- -Thujone.hsqc
- -Thujone.noesy
- -Thujone.hmbc
- Classics_b-Thujon.cosy
- -Thujone.noesy
- -Thujone.cosy
-
(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one Molecule
InChIKey COHYTHOBJLSHDF-BUHFOSPRSA-N Molecular Formula C16H10N2O2
Related Dataset(s)
-
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one Molecule
InChIKey MXXWOMGUGJBKIW-YPCIICBESA-N Molecular Formula C17H19NO3
Related Dataset(s)
- Piperine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2
- Piperine.cosy
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine.c13
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine.hsqc
- Piperine.hmbc
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
- Piperine.proton
- Piperine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: Ramp 21.1-31.7 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Piperine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
- PIPERINE; EI-B; MS
- Piperine; LC-ESI-IT; MS2; m/z: 286.2; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2
- Piperine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- Piperine.noesy
- Piperine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
- piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Piperine; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- Piperine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
-
(2E,4E)-hexa-2,4-dienoic acid Molecule
InChIKey WSWCOQWTEOXDQX-MQQKCMAXSA-N Molecular Formula C6H8O2
Related Dataset(s)
-
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexe... Molecule
InChIKey VYIRVAXUEZSDNC-NXPVNTPISA-N Molecular Formula C40H56O3
Related Dataset(s)
-
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypr... Molecule
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-N Molecular Formula C18H16O8
Related Dataset(s)
- Rosmarinic acid; LC-ESI-QQ; MS2
- rosmarinic acid.aptjmod
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M+Na]+
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- rosmarinic acid.noesy
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- rosmarinic acid.hsqc
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- rosmarinic acid.hmbc
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- rosmarinic acid.cosy
-
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol Molecule
InChIKey BJRNKVDFDLYUGJ-DGORSVRFSA-N Molecular Formula C12H16O7
Related Dataset(s)
-
(2R,3R,4S,5S,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol Molecule
InChIKey MSWZFWKMSRAUBD-SXUWKVJYSA-N Molecular Formula C6H13NO5
Related Dataset(s)
-
(2R,3S,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol Molecule
InChIKey MSWZFWKMSRAUBD-FPRJBGLDSA-N Molecular Formula C6H13NO5
Related Dataset(s)
-
(3R)-3,7-dimethylocta-1,6-dien-3-ol Molecule
InChIKey CDOSHBSSFJOMGT-JTQLQIEISA-N Molecular Formula C10H18O
Related Dataset(s)
-
(3R,4S,6S)-2-(hydroxymethyl)-6-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)... Molecule
InChIKey GUBGYTABKSRVRQ-NXIVNNIUSA-N Molecular Formula C12H22O11
Related Dataset(s)
-
(3S,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid Molecule
InChIKey JXOHGGNKMLTUBP-KVQBGUIXSA-N Molecular Formula C7H10O5
Related Dataset(s)
-
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-JTQLQIEISA-N Molecular Formula C10H16
Related Dataset(s)
