-
(17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyc... Molecule
InChIKey QXKRUGDXPWHXHL-UHFFFAOYSA-N
Related Dataset(s)
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[7]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[6]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[4]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[5]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[3]
-
(17-acetyloxy-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1... Molecule
InChIKey VZZVDHGDRPQCMC-UHFFFAOYSA-N
Related Dataset(s)
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[1]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[8]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[5]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[4]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[3]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[6]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[2]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[7]
-
(17-acetyloxy-5-bromo-6-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16... Molecule
InChIKey QUFXCTFKQBQMQC-UHFFFAOYSA-N
Related Dataset(s)
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[1]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[3]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hsqc
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[5]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.noesy
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[4]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[2]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hmbc
-
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-pro... Molecule
InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N Molecular Formula C30H50O
Related Dataset(s)
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_HMBC_ABS.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_qH.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data.dept
- Lupeol 900MHz 400MHz CDCl3 NMR data[4_Lupeol_HSQC]
- Lupeol 900MHz 400MHz CDCl3 NMR data[2_Lupeol_gcosy]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_HSQC.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gHSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_q1H.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[1_Lupeol_1H]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[3_Lupeol_13CdeptQ]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_HSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_1H.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdx]
-
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14... Molecule
InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-N Molecular Formula C42H62O16
Related Dataset(s)
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:70 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H_900.jdx]
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_1H.jdf]
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:60 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizic acid; LC-ESI-QTOF; MS
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hsqc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data[GlycyrrhizinNH4_gCOSY.jdf]
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.1d
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.2d
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.
- Glycyrrhizin; LC-ESI-ITTOF; MS; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.cosy
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Glycyrrhizin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.roesy
- Glycyrrhizic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.hmbc
- Glycyrrhizin 900MHz 400MHz DMSOd6 NMR data.dept
-
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate Molecule
InChIKey PIJVFDBKTWXHHD-UHFFFAOYSA-N Molecular Formula C15H21N3O2
Related Dataset(s)
- Eserine[12]
- Eserine.dept
- Eserine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Eserine[53]
- Eserine.dept
- Eserine[55]
- Eserine; LC-ESI-QTOF; MS; POSITIVE
- Eserine; LC-APCI-QTOF; MS; POSITIVE
- Eserine[51]
- Eserine.hsqc
- Eserine[59]
- Eserine[56]
- Eserine.1d
- Eserine.cosy
- Eserine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Eserine[54]
- Eserine[11]
- Eserine[57]
- Eserine.1d
- Eserine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Physostigmine; LC-ESI-QTOF; MS2
- Eserine[1057]
-
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,1... Molecule
InChIKey HCXVJBMSMIARIN-PHZDYDNGSA-N Molecular Formula C29H48O
Related Dataset(s)
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[3_Stigmasterol_STIG02_13CdeptQ]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gCOSY.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_13CNMR_3540ug200ul_CDCl3_400MHz.jdf]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_13CdeptQ.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[4_Stigmasterol_STIG02_HSQC]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_1H.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[1_Stigmasterol_STIG02_1H]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_gHSQC.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[2_Stigmasterol_STIG02_gCOSY]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[5_Stigmasterol_STIG02_gHMBC]
- STIGMASTEROL; EI-B; MS
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_qHNMR_CDCl3_400MHz.jdx]
- Stigmasterol 900MHz 400MHz CDCl3 NMR data[Stigmasterol_STIG02_HMBC.jdx]
- STIGMASTEROL; EI-B; MS
-
(4-nitrophenyl)methanethiol Molecule
InChIKey ACFHLWCEZHYYKX-UHFFFAOYSA-N
Related Dataset(s)
-
(6-acetyloxy-13-bromo-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonad... Molecule
InChIKey NZSDFLXRBNYEQL-UHFFFAOYSA-N
Related Dataset(s)
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[2]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[6]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[4]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5.hsqc
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[5]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[1]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[3]
-
1,3,3-trimethyl-2-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptan-2-ol Molecule
InChIKey CENJQGOZXURFGD-UHFFFAOYSA-N Molecular Formula C13H19NOS
Related Dataset(s)
- 1047626-52-7[cosy.dx]
- 1047626-52-7[dept135.fid.dx]
- 1047626-52-7[1d-noe-1-065.dx]
- 1047626-52-7[13c.fid.dx]
- 1047626-52-7[1d-noe-1-065.fid.dx]
- 1047626-52-7[cosy.ser.dx]
- 1047626-52-7[1h.fid.dx]
- 1047626-52-7[1h.dx]
- 1047626-52-7[hmbc.ser.dx]
- 1047626-52-7[1d-noe-0-97.fid.dx]
- 1047626-52-7[hmqc.ser.dx]
- 1047626-52-7[hmbc.dx]
- 1047626-52-7[1d-noe-0-73.fid.dx]
- 1047626-52-7[13c.dx]
- 1047626-52-7[1d-noe-0-97.dx]
- 1047626-52-7[hmqc.dx]
- 1047626-52-7[1d-noe-0-73.dx]
- 1047626-52-7[dept135.dx]
-
1-(bromomethyl)-4-nitrobenzene Molecule
InChIKey VOLRSQPSJGXRNJ-UHFFFAOYSA-N
Related Dataset(s)
-
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid Molecule
InChIKey MHWLWQUZZRMNGJ-UHFFFAOYSA-N Molecular Formula C12H12N2O3
Related Dataset(s)
- Nalidixic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Nalidixic acid, 389-08-2[1]
- Nalidixic acid, 389-08-2[5]
- Nalidixic acid, 389-08-2[6]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Nalidixic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Nalidixic acid; LC-ESI-IT; MS3; m/z: 233/205; [M+H]+
- Nalidixic acid, 389-08-2[3]
- Nalidixic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Nalidixic acid; LC-ESI-IT; MS2; m/z: 233; [M+H]+
- Nalidixic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Nalidixic acid, 389-08-2.cosy
- Nalidixic acid, 389-08-2[2]
-
1-methoxy-4-prop-2-enylbenzene Molecule
InChIKey ZFMSMUAANRJZFM-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- 140-67-0[hmbc.dx]
- 140-67-0[hsqc.ser.dx]
- 140-67-0.dept135
- 140-67-0[dept135.dx]
- 140-67-0[13c.dx]
- 140-67-0[1h.dx]
- Classics_Estragole[2]
- 4-ALLYLANISOLE; EI-B; MS
- Classics_Estragole[6]
- Classics_Estragole.noesy
- 140-67-0[13c.fid.dx]
- 140-67-0[hmbc.ser.dx]
- 140-67-0.hsqc
- Classics_Estragole[3]
- 140-67-0[cosy.dx]
- Classics_Estragole[5]
- P-ALLYL ANISOLE; EI-B; MS
- 4-ALLYLANISOLE; EI-B; MS
- 140-67-0[1h.fid.dx]
- Estragole; ESI-QTOF; MS2; CE: 20; [M+H]+
- 140-67-0[cosy.ser.dx]
- Classics_Estragole[1]
- Estragole; ESI-QTOF; MS2; CE: 10; [M+H]+
-
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide Molecule
InChIKey SNPLKNRPJHDVJA-UHFFFAOYSA-N Molecular Formula C9H19NO4
Related Dataset(s)
- 16485-10-2[1h.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- 16485-10-2[hmqc.dx]
- Panthenol; LC-ESI-QTOF; MS; NEGATIVE
- 16485-10-2[hn-hsqc.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- 16485-10-2[cosy.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- 16485-10-2[apt.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 20 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Panthenol; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- 16485-10-2[1dnoe-3-70.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- 16485-10-2[1dnoe-7-74.dx]
- Panthenol; LC-APCI-QTOF; MS; POSITIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Panthenol; LC-APCI-QTOF; MS; NEGATIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- 16485-10-2[dept135.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- Panthenol; LC-ESI-QTOF; MS; POSITIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- 16485-10-2[hmbc.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- 16485-10-2[13c.dx]
-
2-[2-(2-azidoethoxy)ethoxy]acetic acid Molecule
InChIKey OCIIYNXOTJRSHW-UHFFFAOYSA-N
Related Dataset(s)
-
2-[2-(2-azidoethoxy)ethoxy]ethanol Molecule
InChIKey PMNIHDBMMDOUPD-UHFFFAOYSA-N
Related Dataset(s)
-
2-[4-(2-methylpropyl)phenyl]propanoic acid Molecule
InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-N Molecular Formula C13H18O2
Related Dataset(s)
- Ibuprofen[5]
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+NH4]+
- Luc_Ibuprofen_CMCse[3]
- 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID; EI-B; MS
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
- Algofen, Butylenin, Roidenin, Balkaprofen, Ibuprocin, Betaprofen, Nobfelon, Unipron, Anflagen, Antarene, Brufen, Amibufen, Ibuprofen, Napacetin, alpha-p-Isobutylphenylpropionic acid, Nurofen, Alaxan, alpha-Methyl-4-(isobutyl)phenylacetic acid, 4-Isobutylhydratropic acid, Mynosedin; LC-ESI-QQ; MS2
- Ibuprofen; LC-ESI-Q; MS; NEG; 15 V
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS; ESI; POSITIVE
- Ibuprofen; LC-ESI-QTOF; MS2; 20 V
- Luc_Ibuprofen_CMCse.proton
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
- Algofen, Butylenin, Roidenin, Balkaprofen, Ibuprocin, Betaprofen, Nobfelon, Unipron, Anflagen, Antarene, Brufen, Amibufen, Ibuprofen, Napacetin, alpha-p-Isobutylphenylpropionic acid, Nurofen, Alaxan, alpha-Methyl-4-(isobutyl)phenylacetic acid, 4-Isobutylhydratropic acid, Mynosedin; LC-ESI-QQ; MS2
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:73
- Ibuprofen; LC-ESI-QQ; MS; ESI; NEGATIVE
- Ibuprofen.dept
- Ibuprofen; LC-ESI-Q; MS; NEG; 60 V, 90 V
- Ibuprofen; LC-ESI-Q; MS; NEG; 45 V
- Luc_Ibuprofen_CMCse[4]
- Ibuprofen; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Luc_Ibuprofen_CMCse.c13
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+
- Ibuprofen[3]
- Ibuprofen.1d
- Ibuprofen; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Ibuprofen[2]
- Ibuprofen.hmbc
- Ibuprofen.hsqc
- Ibuprofen; LC-ESI-Q; MS; NEG; 30 V
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- Ibuprofen[7]
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+
- Ibuprofen; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
- Ibuprofen.cosy
- Ibuprofen.
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+
- Luc_Ibuprofen_CMCse.hmbc
-
2-hydroxypropane-1,2,3-tricarboxylic acid Molecule
InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N Molecular Formula C6H8O7
Related Dataset(s)
- Citric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid, 77-92-9[4]
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; GC-EI-TOF; MS; n TMS; RT:692.409 sec
- Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-QTOF; MS2; 130 V
- Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid, 77-92-9[8]
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid; LC-ESI-QTOF; MS2; 150 V
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:73
- Citric acid (Not validated, isomer of 227); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QTOF; MS2; 140 V
- Citric acid; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
- Citric acid; GC-EI-Q; MS; POSITIVE; 4 TMS-derivative
- Citric acid, 77-92-9[1]
- Citric acid; LC-ESI-QTOF; MS2; 120 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QQ; MS2
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid, 77-92-9[3]
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-QTOF; MS2; 100 V
- Citric acid, 77-92-9[5]
- Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid; LC-ESI-QTOF; MS2; 110 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid (Not validated, isomer of 228); LC-ESI-QTOF; MS2
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; LC-ESI-IT; MS2; m/z: 191.1; [M-H]-
- Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, 2-hydroxypropane-1,2,3-tricarboxylic acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QTOF; MS2
- Citric acid, 77-92-9.cosy
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid, 77-92-9[7]
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid, 77-92-9[6]
-
2-methyl-6-methylideneocta-2,7-dien-4-ol Molecule
InChIKey NHMKYUHMPXBMFI-UHFFFAOYSA-N Molecular Formula C10H16O
Related Dataset(s)
- 14434-41-4[hmqc.dx]
- 14434-41-4[hmqc.ser.dx]
- 14434-41-4[1h.fid.dx]
- 14434-41-4[cosy.ser.dx]
- 2-METHYL-6-METHYLENE-2,7-OCTADIEN-4-OL; EI-B; MS
- 14434-41-4[hmbc.dx]
- 14434-41-4[hmbc.ser.dx]
- 14434-41-4[13c.dx]
- 14434-41-4[dept135.fid.dx]
- 14434-41-4[cosy.dx]
- 14434-41-4[1h.dx]
- 14434-41-4[13c.fid.dx]
- 14434-41-4[dept135.dx]
-
3-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthre... Molecule
InChIKey MGSYUDDLXLZUOM-UHFFFAOYSA-N Molecular Formula C20H30O3
Related Dataset(s)
