-
2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione Molecule
InChIKey UGNWTBMOAKPKBL-UHFFFAOYSA-N Molecular Formula C6Cl4O2
Related Dataset(s)
-
2,4,6-trimethylaniline Molecule
InChIKey KWVPRPSXBZNOHS-UHFFFAOYSA-N Molecular Formula C9H13N
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 2,4,6-TRIMETHYLANILINE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
-
2,4,6-trimethylbenzaldehyde Molecule
InChIKey HIKRJHFHGKZKRI-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- MESITYLALDEHYDE; EI-B; MS
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
-
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide Molecule
InChIKey SNPLKNRPJHDVJA-UHFFFAOYSA-N Molecular Formula C9H19NO4
Related Dataset(s)
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- 16485-10-2[1dnoe-7-74.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- 16485-10-2[hn-hsqc.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- 16485-10-2[hmqc.dx]
- Panthenol; LC-APCI-QTOF; MS; POSITIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- 16485-10-2[1dnoe-3-70.dx]
- 16485-10-2[apt.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Panthenol; LC-APCI-QTOF; MS; NEGATIVE
- 16485-10-2[13c.dx]
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Panthenol; LC-ESI-QTOF; MS; NEGATIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 20 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- 16485-10-2[cosy.dx]
- 16485-10-2[1h.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- 16485-10-2[dept135.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- 16485-10-2[hmbc.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Panthenol; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Panthenol; LC-ESI-QTOF; MS; POSITIVE
-
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene Molecule
InChIKey GRWFGVWFFZKLTI-UHFFFAOYSA-N Molecular Formula C10H16
Related Dataset(s)
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_COSY_900MHz_Bruker.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_600MHz_JDX.jdx]
- ALPHA-PINENE; EI-B; MS
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_13CNMR_600MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_60MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_400MHz_Jeol.jdf]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_HSQC_600MHz_JDX.jdx]
- ALPHA-PINENE; EI-B; MS
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_400MHz_JDX.jdx]
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_1HNMR_900MHz_Bruker.jdx]
- (1R,5R)-2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene, (1R,5R)-2-Pinene, (1R)-Pin-2-ene, (1R)-(+)-alpha-Pinene; LC-ESI-QQ; MS2
- (-)-alpha-Pinene 60/400/600/900 MHz in CDCl3 NMR data[AlphaPinene_100000ug700uL_CDCl3_HMBC_600MHz_JDX.jdx]
-
2,9-dimethyl-1,10-phenanthroline Molecule
InChIKey IYRGXJIJGHOCFS-UHFFFAOYSA-N Molecular Formula C14H12N2
Related Dataset(s)
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- heteronuclear single quantum coherence (HSQC)
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
-
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one Molecule
InChIKey REFJWTPEDVJJIY-UHFFFAOYSA-N Molecular Formula C15H10O7
Related Dataset(s)
- Quercetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Quercetin; LC-ESI-QTOF; MS2; CE:55 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; 10 V
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; 20 V
- Quercetin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- Quercetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Quercetin; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; 40 V
- Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Quercetin; LC-ESI-QQ; MS2; CE:25 eV; [M-H]-
- Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2
- Quercetin; LC-ESI-QTOF; MS; NEGATIVE
- Quercetin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
- Quercetin; LC-ESI-ITTOF; MS; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; 70 V
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Quercetin; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2
- Quercetin; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2
- Quercetin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; 90 V
- Quercetin; LC-ESI-QTOF; MS
- Quercetin; LC-ESI-ITTOF; MS; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- Quercetin; LC-ESI-QTOF; MS2
- quercetin; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Quercetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Quercetin; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- Quercetin; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; 130 V
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; 140 V
- Quercetin; LC-ESI-QTOF; MS
- Quercetin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QQ; MS2
- Quercetin; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-ITTOF; MS2; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; 30 V
- Quercetin; LC-ESI-QTOF; MS2; CE:15 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS
- Quercetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- Quercetin; LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QQ; MS2; CE:30 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M-H]-
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[13C.jdf]
- Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; 40 V
- Quercetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- Quercetin; LC-ESI-QTOF; MS2; 60 V
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2
- Quercetin; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
- Quercetin; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Quercetin; ESI-TOF; MS2; CE:25 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2
- Quercetin; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Quercetin; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- Quercetin; LC-ESI-ITFT; MS; [M+H]+; isotope pattern
- Quercetin; LC-ESI-QQ; MS2; CE:20 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [2M-H]-
- Quercetin; LC-ESI-QTOF; MS2; 150 V
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Quercetin; LC-ESI-QTOF; MS2; CE:30 eV; [2M-H]-
- Quercetin; LC-ESI-QTOF; MS2; 40 V
- Quercetin; LC-ESI-QTOF; MS2; 50 V
- Quercetin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- Quercetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- Quercetin; LC-ESI-QTOF; MS; POSITIVE
- Quercetin; LC-ESI-QTOF; MS2; 80 V
- Quercetin; ESI-TOF; MS2; CE:15 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; 120 V
- Quercetin, dihydrate annotated NMR 400 MHz DMSOd6 data[13C.jdx]
- Quercetin; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2; 110 V
- Quercetin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
- Quercetin; LC-ESI-QTOF; MS2
- Quercetin; LC-ESI-QTOF; MS2; 100 V
- Quercetin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Quercetin; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
-
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-... Molecule
InChIKey OVSQVDMCBVZWGM-QSOFNFLRSA-N Molecular Formula C21H20O12
Related Dataset(s)
- Hirsutrin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Hirsutrin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
- Hirsutrin; LC-ESI-QTOF; MS
- Isoquercetin; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_qHNMR_400MHz_Jeol.jdf]
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_qHNMR_400MHz_JDX.jdx]
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Hirsutrin; LC-ESI-ITTOF; MS; [M+H]+
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Isoquercitrin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Hirsutrin; LC-ESI-QTOF; MS2; CE:30 V; [2M-H]-
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Isoquercitrin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- Isoquercetin; LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Hirsutrin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Hirsutrin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Isoquercitrin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Isoquercitrin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Isoquercetin; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Isoquercitrin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Isoquercetin; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Hirsutrin; LC-ESI-ITTOF; MS2; [M+H]+
- Hirsutrin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H-C6H10O5]+
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Hirsutrin; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- Hirsutrin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- Isoquercitrin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Isoquercitrin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Isoquercitrin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Isoquercitrin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- Hirsutrin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- Quercetin-3-O-glucoside; LC-ESI-QTOF; MS2
- Isoquercitrin 400 MHz in DMSOd6 NMR data[Isoquercitrin_3060ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Isoquercetin; LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
- Isoquercetin; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Hirsutrin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Isoquercetin; LC-ESI-QQ; MS2
- Isoquercitrin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
-
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one Molecule
InChIKey IQPNAANSBPBGFQ-UHFFFAOYSA-N Molecular Formula C15H10O6
Related Dataset(s)
- Luteolin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M-H]-
- Luteolin; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- Luteolin; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; ESI-TOF; MS2; CE:15 eV; [M+H]+
- Luteolin; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- Luteolin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_HMBC_400MHz_Jeol (Old).jdf]
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS; POSITIVE
- Luteolin; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
- Luteolin; LC-ESI-QTOF; MS2
- Flacitran, Weld Lake, Lutl, Digitoflavone, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_13C_400MHz_Jeol.jdf]
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- Luteolin; LC-ESI-QQ; MS2
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Flacitran, Weld Lake, Lutl, Digitoflavone, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS; NEGATIVE
- Luteolin; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- Luteolin; LC-ESI-QTOF; MS
- Luteolin; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- Luteolin; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
- Luteolin; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
- Luteolin; LC-ESI-ITTOF; MS; [M-H]-
- Luteolin; LC-ESI-QTOF; MS
- Luteolin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_1H_400MHz_Jeol.jdf]
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_HMBC_400MHz_Jeol (Old).jdx]
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Luteolin; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_1H_400MHz_JDX.jdx]
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_13C_400MHz_JDX.jdx]
- Luteolin; LC-ESI-QTOF; MS2
- Outreach_std_luteolin_05312024[1]
- Luteolin; LC-APCI-QTOF; MS; POSITIVE
- Luteolin; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Flacitran, Weld Lake, Lutl, Digitoflavone, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_3120ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Luteolin; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
- Luteolin; LC-APCI-QTOF; MS; NEGATIVE
- Luteolin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
- Luteolin; ESI-TOF; MS2; CE:25 eV; [M-H]-
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_2418ug200uL_DMSOd6_HMBC_400MHz_Jeol (New).jdf]
- Flacitran, Weld Lake, Lutl, Digitoflavone, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin 400 MHz in DMSOd6 NMR data[Luteolin_2418ug200uL_DMSOd6_HMBC_400MHz_Jeol (New).jdx]
- Luteolin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
- Luteolin; LC-ESI-ITTOF; MS; [M+H]+
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Luteolin; LC-ESI-QTOF; MS2
- Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2
-
2-[(4-methylbenzoyl)amino]acetic acid Molecule
InChIKey NRSCPTLHWVWLLH-UHFFFAOYSA-N Molecular Formula C10H11NO3
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- PARA-METHYLHIPPURIC ACID; EI-B; MS
-
2-[4-(2-methylpropyl)phenyl]propanoic acid Molecule
InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-N Molecular Formula C13H18O2
Related Dataset(s)
- Ibuprofen[5]
- 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID; EI-B; MS
- Ibuprofen; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
- Ibuprofen; LC-ESI-Q; MS; NEG; 45 V
- Ibuprofen[4]
- Ibuprofen; LC-ESI-QQ; MS; ESI; NEGATIVE
- Ibuprofen.hmbc
- Ibuprofen; LC-ESI-Q; MS; NEG; 60 V, 90 V
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
- Ibuprofen; LC-ESI-Q; MS; NEG; 30 V
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:73
- 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[3]
- Ibuprofen.cosy
- Ibuprofen; LC-ESI-QQ; MS; ESI; POSITIVE
- Ibuprofen; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Ibuprofen[7]
- Ibuprofen; LC-ESI-QTOF; MS2; 20 V
- Luc_Ibuprofen_CMCse[5]
- Ibuprofen.hsqc
- Luc_Ibuprofen_CMCse[4]
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+
- Ibuprofen[1]
- Ibuprofen; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+
- Luc_Ibuprofen_CMCse.proton
- Ibuprofen[2]
- Luc_Ibuprofen_CMCse[3]
- Ibuprofen[6]
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+NH4]+
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
- Ibuprofen; LC-ESI-Q; MS; NEG; 15 V
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- 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-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
- Luc_Ibuprofen_CMCse[2]
-
2-acetyloxybenzoic acid Molecule
InChIKey BSYNRYMUTXBXSQ-UHFFFAOYSA-N Molecular Formula C9H8O4
Related Dataset(s)
- ACETYLSALICYLIC ACID; EI-B; MS
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 15 V
- 50-78-2[cosy.ser.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- 50-78-2.hmqc
- 50-78-2[hmbc.dx]
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 45 V
- Aspirin; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
- 50-78-2[1h.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
- 50-78-2.hmbc
- 50-78-2[13c.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
- 50-78-2[13c.fid.dx]
- 50-78-2[hmqc.dx]
- 50-78-2.proton
- Aspirin; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
- 50-78-2.cosy
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 60 V, 90 V
- ACETYL SALYCYLIC ACID; CI-B; MS
- Aspirin; LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
- Acetylsalicylic acid; GC-EI-TOF; MS; n TMS; RT:556.862 sec
- Acetylsalicylic acid; EI-B; MS; n TMS; RT: 592.29 s
- Acetylsalicylic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Entericin, 2-Acetoxybenzoic acid, Acetosalic acid, Rhonal, Acetonyl, Salicylic acid acetate, Acetophen, Acenterine, Endydol, Colfarit, Caprin, O-Acetylsalicylic acid, Empirin, Acetisal, Neuronika, Novid, Salacetin, Acetylsalicylic acid, ASA, Saletin, Acylpyrin, Asteric, Polopiryna, Acetylin, Acetylsalicylate, Aceticyl, Delgesic, Helicon, Globoid, Kapsazal, Salcetogen, Acetosal, 2-Acetoxybenzenecarboxylic acid, Medisyl, Acetol, Enterosarine, Ecotrin, Acetylsal, Idragin, Aspirdrops, Measurin, Solpyron, Aspirin, Micristin, Angettes, Benaspir; LC-ESI-QQ; MS2
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 30 V
- Aspirin; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
-
2-ethylhexan-1-ol Molecule
InChIKey YIWUKEYIRIRTPP-UHFFFAOYSA-N Molecular Formula C8H18O
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- 2-ETHYL-1-HEXANOL; EI-B; MS
- 2-ETHYLHEXANOL; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-ETHYLHEXANOL; EI-B; MS
- heteronuclear multiple bond coherence (HMBC)
-
2-fluorobenzoic acid Molecule
InChIKey NSTREUWFTAOOKS-UHFFFAOYSA-N Molecular Formula C7H5FO2
Related Dataset(s)
- ORTHO-FLUOROBENZOIC ACID; EI-B; MS
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2-formylbenzonitrile Molecule
InChIKey QVTPWONEVZJCCS-UHFFFAOYSA-N Molecular Formula C8H5NO
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- ORTHO-CYANOBENZALDEHYDE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
-
2-hydroxyacetic acid Molecule
InChIKey AEMRFAOFKBGASW-UHFFFAOYSA-N Molecular Formula C2H4O3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Glycolic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycolic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Glycolic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Hydroxyacetic acid, Hydroxyethanoic acid, Glycolate, Glycolic acid; LC-ESI-QQ; MS2
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- Glycolic acid; EI-B; MS; 2 TMS; RT: 313.46 s
- GLYCOLIC ACID; EI-B; MS
- Glycolic acid; GC-EI-TOF; MS; 2 TMS; BP:73
- GLYCOLIC ACID; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Glycolic acid; GC-EI-TOF; MS; n TMS; RT:298.444 sec
-
2-hydroxypropane-1,2,3-tricarboxylic acid Molecule
InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N Molecular Formula C6H8O7
Related Dataset(s)
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid, 77-92-9[5]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid, 77-92-9[7]
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid; LC-ESI-QTOF; MS2; 150 V
- Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Citric acid, 77-92-9[6]
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid (Not validated, isomer of 228); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-IT; MS2; m/z: 191.1; [M-H]-
- Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- 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; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid, 77-92-9[3]
- Citric acid; GC-EI-TOF; MS; n TMS; RT:692.409 sec
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid, 77-92-9[1]
- Citric acid; LC-ESI-QTOF; MS2; 120 V
- Citric acid; LC-ESI-QTOF; MS2; 110 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid (Not validated, isomer of 227); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QTOF; MS2; 100 V
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid, 77-92-9[2]
- Citric acid, 77-92-9[4]
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
- Citric acid; LC-ESI-QTOF; MS2; 130 V
- 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; GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 140 V
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:73
- Citric acid; GC-EI-Q; MS; POSITIVE; 4 TMS-derivative
- Citric acid, 77-92-9[8]
- Citric acid; LC-ESI-QTOF; MS2; 20 V
-
2-iodo-N-phenylbenzamide Molecule
InChIKey LJOZMWRYMKECFF-UHFFFAOYSA-N Molecular Formula C13H10INO
Related Dataset(s)
- Benodanil; LC-ESI-QTOF; MS2; 140 V
- Benodanil; LC-ESI-QTOF; MS2; 20 V
- Benodanil; LC-ESI-QTOF; MS2; 80 V
- Benodanil; LC-ESI-QTOF; MS2; 130 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 140 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QTOF; MS2; 30 V
- Benodanil; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
- Benodanil; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 30 V
- infrared absorption spectroscopy (IR)
- Benodanil; LC-ESI-QTOF; MS2; 110 V
- Benodanil; LC-ESI-QTOF; MS2; 60 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Benodanil; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 150 V
- Benodanil; LC-ESI-QTOF; MS2; 120 V
- Benodanil; LC-ESI-QTOF; MS2; 110 V
- Benodanil; LC-ESI-QTOF; MS2; 20 V
- Benodanil; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
- electron ionisation mass spectrometry (EI-MS)
- Benodanil; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QTOF; MS2; 120 V
- Benodanil; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 70 V
- Benodanil; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 10 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Benodanil; LC-ESI-QTOF; MS2; 70 V
- Benodanil; LC-ESI-QTOF; MS2; 50 V
- Benodanil; LC-ESI-QTOF; MS2; 130 V
- Benodanil; LC-ESI-QTOF; MS2; 10 V
- Benodanil; LC-ESI-QTOF; MS2; 90 V
- Benodanil; LC-ESI-QTOF; MS2; 150 V
- Benodanil; LC-ESI-QTOF; MS2; 100 V
- Benodanil; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
- Benodanil; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 100 V
- Benodanil; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
- Benodanil; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 60 V
- Benodanil; LC-ESI-QTOF; MS2; 50 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
- Benodanil; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 90 V
- Benodanil; LC-ESI-QTOF; MS2; 80 V
-
2-iodobenzoic acid Molecule
InChIKey CJNZAXGUTKBIHP-UHFFFAOYSA-N Molecular Formula C7H5IO2
Related Dataset(s)
- 2-IODOBENZOIC ACID; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- ORTHO-IODOBENZOIC ACID; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
2-methoxy-4-prop-2-enylphenol Molecule
InChIKey RRAFCDWBNXTKKO-UHFFFAOYSA-N Molecular Formula C10H12O2
Related Dataset(s)
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- 2-METHOXY-4-(2-PROPENYL)PHENOL; EI-B; MS
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- EUGENOL; EI-B; MS
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_13CNMR_400MHz_Jeol.jdf]
- Classics_Eugenol[5]
- Classics_Eugenol[1]
- EUGENOL.noesy
- Classics_Eugenol[8]
- Classics_Eugenol[4]
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_qHNMR_400MHz_Jeol.jdf]
- Classics_Eugenol[2]
- Eugenol 400 MHz CDCl3 NMR data.hmbc
- EUGENOL.cosy
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]
- Eugenol 400 MHz CDCl3 NMR data.1d
- Classics_Eugenol[6]
- EUGENOL; EI-B; MS
- EUGENOL; EI-B; MS
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Eugenol 400 MHz CDCl3 NMR data[Eugenol_8070ug200uL_CDCl3_COSY_400MHz_Jeol.jdf]
- Eugenol 400 MHz CDCl3 NMR data.2d
- EUGENOL.hsqc
- Eugenol 400 MHz CDCl3 NMR data.hsqc
- EUGENOL.proton
- Classics_Eugenol.jres
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- EUGENOL; EI-B; MS
- Eugenol 400 MHz CDCl3 NMR data.
- Classics_Eugenol[3]
- Eugenol 400 MHz CDCl3 NMR data.cosy
- EUGENOL; EI-B; MS
- EUGENOL.hmbc
- EUGENOL.c13
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
