-
(2-iodo-5-methoxyphenyl)methanol Molecule
InChIKey AYLPYLQTOJCHSH-UHFFFAOYSA-N Molecular Formula C8H9IO2
Related Dataset(s)
-
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[hmbc.ser.dx]
- 1047626-52-7[hmqc.ser.dx]
- 1047626-52-7[dept135.fid.dx]
- 1047626-52-7[1d-noe-0-97.dx]
- 1047626-52-7[13c.dx]
- 1047626-52-7[1d-noe-0-97.fid.dx]
- 1047626-52-7[cosy.dx]
- 1047626-52-7[1d-noe-0-73.dx]
- 1047626-52-7[1d-noe-1-065.dx]
- 1047626-52-7[13c.fid.dx]
- 1047626-52-7[cosy.ser.dx]
- 1047626-52-7[hmqc.dx]
- 1047626-52-7[1d-noe-0-73.fid.dx]
- 1047626-52-7[hmbc.dx]
- 1047626-52-7[dept135.dx]
- 1047626-52-7[1h.dx]
- 1047626-52-7[1h.fid.dx]
- 1047626-52-7[1d-noe-1-065.fid.dx]
-
1,3,7-trimethylpurine-2,6-dione Molecule
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N Molecular Formula C8H10N4O2
Related Dataset(s)
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[12]
- Caffeine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 70 V
- caffeine.hmbc
- Caffeine; LC-ESI-IT; MS2; m/z: 195.1; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
- Caffeine; LC-APCI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
- Caffeine; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 140 V
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 75 V
- 1,3,7-TRIMETHYLXANTHINE; EI-B; MS
- Caffeine; LC-ESI-QTOF; MS2; 130 V
- Caffeine; LC-ESI-QTOF; MS2; 150 V
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Caffeine; LC-ESI-QTOF; MS2; 30 V
- Caffeine; GC-EI-TOF; MS; n TMS; RT:724.344 sec
- Caffeine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Classics_Caffeine[5]
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
- Classics_Caffeine[2]
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Caffeine; LC-ESI-Q; MS; POS; 15 V, 30 V
- Caffeine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024_500[1]
- Caffeine; LC-ESI-QTOF; MS2; 20 V
- Caffeine; LC-ESI-Q; MS; POS; 45 V
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- Classics_Caffeine[4]
- caffeine; LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- caffeine.hsqc
- Classics_Caffeine[6]
- Caffeine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- Caffeine; GC-EI-TOF; MS; 0 TMS; BP:109
- caffeine.c13
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-QTOF; MS; POSITIVE
- Caffeine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- Caffeine; MALDI-TOFTOF; MS2; CE: 20 kV; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- CAFFEINE; EI-B; MS
- Classics_Caffeine[3]
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- SI_Outreach_1_A1_23.3mg_coffee_0.5mL_d6_DMSO_06_04_2024[1]
- Caffeine; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- caffeine; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
- CAFFEINE; CI-B; MS
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Classics_Caffeine[1]
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Caffeine; LC-ESI-Q; MS; POS; 90 V
- Caffeine; LC-ESI-QTOF; MS2; 110 V
- Caffeine; LC-ESI-QTOF; MS2; 10 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[13]
- Caffeine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE; EI-B; MS
- Caffeine; LC-ESI-Q; MS; POS; 60 V
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[9]
- Caffeine; LC-ESI-QTOF; MS2; 120 V
- Caffeine; LC-ESI-QTOF; MS2; 60 V
- Caffeine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- Caffeine; ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 50 V
- Caffeine; LC-ESI-QTOF; MS2; 100 V
- Caffeine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- Caffeine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
- caffeine.proton
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine, 1,3,7-trimethylpurine-2,6-dione; LC-ESI-QTOF; MS2
- Caffeine; LC-ESI-QTOF; MS2; 40 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; 90 V
- Caffeine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Caffeine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- Caffeine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- Caffeine; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE: Ramp 14.5-21.8 eV; R=35000; [M+H]+
- Caffeine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[11]
- Caffeine; LC-ESI-QTOF; MS2; 80 V
- 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2
- CAFFEINE_FULL_JUIII-058_caffeine_tablet_crushed_filtered_CDCl3_06_19_2024_FULL[14]
- caffeine.noesy
- Caffeine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- CAFFEINE; CI-B; MS
- Caffeine; GC-EI-TOF; MS; BP:194
- Caffeine; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
-
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; 80 V
- 16485-10-2[apt.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- 16485-10-2[hmbc.dx]
- Panthenol; LC-APCI-QTOF; MS; NEGATIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- 16485-10-2[1h.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Panthenol; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- 16485-10-2[1dnoe-7-74.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- 16485-10-2[cosy.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- 16485-10-2[1dnoe-3-70.dx]
- 16485-10-2[hn-hsqc.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- 16485-10-2[13c.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 20 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Panthenol; LC-APCI-QTOF; MS; POSITIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Panthenol; LC-ESI-QTOF; MS; POSITIVE
- 16485-10-2[dept135.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- Panthenol; LC-ESI-QTOF; MS; NEGATIVE
- 16485-10-2[hmqc.dx]
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
-
2-acetyloxybenzoic acid Molecule
InChIKey BSYNRYMUTXBXSQ-UHFFFAOYSA-N Molecular Formula C9H8O4
Related Dataset(s)
- 50-78-2[1h.dx]
- 50-78-2.proton
- 50-78-2.cosy
- 50-78-2.hmbc
- Aspirin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 30 V
- 50-78-2[hmbc.dx]
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 45 V
- Aspirin; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 15 V
- 50-78-2[hmqc.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
- ACETYL SALYCYLIC ACID; CI-B; MS
- Aspirin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
- 50-78-2.hmqc
- 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
- Aspirin; LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
- 50-78-2[cosy.ser.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
- 50-78-2[13c.fid.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
- 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
- Aspirin; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 60 V, 90 V
- Aspirin; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
- Acetylsalicylic acid; EI-B; MS; n TMS; RT: 592.29 s
- 50-78-2[13c.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
- Acetylsalicylic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
-
2-hydroxypropane-1,2,3-tricarboxylic acid Molecule
InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N Molecular Formula C6H8O7
Related Dataset(s)
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:73
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 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-ITFT; MS; NEG
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; LC-ESI-QTOF; MS2; 110 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; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+
- Citric acid, 77-92-9[5]
- Citric acid; LC-ESI-QTOF; MS2; 140 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Citric acid; LC-ESI-IT; MS2; m/z: 191.1; [M-H]-
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; GC-EI-TOF; MS; n TMS; RT:692.409 sec
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Citric acid, 77-92-9[3]
- Citric acid; LC-ESI-QTOF; MS2; 150 V
- Citric acid; LC-ESI-QTOF; MS2; 100 V
- Citric acid; LC-ESI-QTOF; MS2; 130 V
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid, 77-92-9[7]
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+
- Citric acid (Not validated, isomer of 228); LC-ESI-QTOF; MS2
- Citric acid, 77-92-9[1]
- Citric acid; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
- Citric acid, 77-92-9[2]
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Citric acid, 77-92-9[8]
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid, 77-92-9[6]
- Citric acid; GC-EI-Q; MS; POSITIVE; 4 TMS-derivative
- Citric acid; LC-ESI-QTOF; MS2; 120 V
- Citric acid (Not validated, isomer of 227); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid, 77-92-9[4]
- Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
-
2-methyl-6-methylideneocta-2,7-dien-4-ol Molecule
InChIKey NHMKYUHMPXBMFI-UHFFFAOYSA-N Molecular Formula C10H16O
Related Dataset(s)
- 14434-41-4[1h.dx]
- 14434-41-4[hmbc.ser.dx]
- 14434-41-4[13c.dx]
- 14434-41-4[hmqc.ser.dx]
- 2-METHYL-6-METHYLENE-2,7-OCTADIEN-4-OL; EI-B; MS
- 14434-41-4[cosy.ser.dx]
- 14434-41-4[dept135.fid.dx]
- 14434-41-4[1h.fid.dx]
- 14434-41-4[hmbc.dx]
- 14434-41-4[cosy.dx]
- 14434-41-4[hmqc.dx]
- 14434-41-4[dept135.dx]
- 14434-41-4[13c.fid.dx]
-
4-(2,2,2-trifluoroethoxy)aniline Molecule
InChIKey OXFDNUZWKFKMSB-UHFFFAOYSA-N Molecular Formula C8H8F3NO
Related Dataset(s)
- 57946-61-9[19f1h-dec.dx]
- 57946-61-9[deptq.dx]
- 57946-61-9[noesy.ser.dx]
- 57946-61-9[cosy.dx]
- 57946-61-9[1h.dx]
- 57946-61-9[cosy.ser.dx]
- 57946-61-9[fh-cosy.ser.dx]
- 57946-61-9[hmqc.ser.dx]
- 57946-61-9[deptq.fid.dx]
- 57946-61-9[noesy.dx]
- 4-2-2-2-trifluoroethoxy-benzenamine.hmqc
- 57946-61-9[hmbc.ser.dx]
- 57946-61-9[hmbc.dx]
- 57946-61-9[1h.fid.dx]
- 57946-61-9[19f1hdec.fid.dx]
- 57946-61-9[hmqc.dx]
- 57946-61-9[hf-hoesy.ser.dx]
- 57946-61-9[hf-hoesy.dx]
- 57946-61-9[fh-cosy.dx]
-
7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Molecule
InChIKey ANJTVLIZGCUXLD-UHFFFAOYSA-N Molecular Formula C11H14N2O
Related Dataset(s)
- 485-35-8.hmbc
- 485-35-8[cosy.dx]
- 485-35-8[dept135.dx]
- 485-35-8[hnHMQC.dx]
- 485-35-8[1h.fid.dx]
- 485-35-8[noesy.ser.dx]
- 485-35-8.hsqc
- 485-35-8[dept45.fid.dx]
- 485-35-8[hnHMQC.ser.dx]
- 485-35-8[13c.fid.dx]
- 485-35-8[dept135.fid.dx]
- 485-35-8[cosy.ser.dx]
- 485-35-8[dept90.fid.dx]
- 485-35-8[hmbc.ser.dx]
- 485-35-8.dept
- 485-35-8[13c.dx]
- 485-35-8[deptq.fid.dx]
- 485-35-8[dept45.dx]
- 485-35-8.deptq
- 485-35-8.noesy
- 485-35-8[hsqc.ser.dx]
- 485-35-8[1h.dx]
-
N-phenylpropanamide Molecule
InChIKey ZTHRQJQJODGZHV-UHFFFAOYSA-N Molecular Formula C9H11NO
Related Dataset(s)
-
butyl 4-hydroxybenzoate Molecule
InChIKey QFOHBWFCKVYLES-UHFFFAOYSA-N Molecular Formula C11H14O3
Related Dataset(s)
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- BUTYL PARA HYDROXY BENZOATE; EI-B; MS
- 94-26-8[cosy.dx]
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- 94-26-8.proton
- 94-26-8.hmbc
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: Ramp 17.8-26.7 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
- BUTYL 4-HYDROXYBENZOATE; EI-B; MS
- Butylparaben; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
- 94-26-8[13c.dx]
- Butylparaben; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
- 94-26-8[hmqc.dx]
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-QTOF; MS2; CE: Ramp 19.7-29.6 eV; R=35000; [M-H]-
- Butylparaben; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- Butylparaben; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
-
ethyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Molecule
InChIKey KQGQONPKSKUHHT-AWEZNQCLSA-N Molecular Formula C15H18N2O3
Related Dataset(s)
-
ethyl (E)-3-phenylprop-2-enoate Molecule
InChIKey KBEBGUQPQBELIU-CMDGGOBGSA-N Molecular Formula C11H12O2
Related Dataset(s)
- Ethyl cinnamate, 103-36-6[4]
- ETHYL CINNAMATE; EI-B; MS
- Ethyl cinnamate, 103-36-6[3]
- Ethyl cinnamate, 103-36-6[1]
- ETHYL CINNAMATE; EI-B; MS
- ETHYL CINNAMATE; EI-B; MS
- CINNAMIC ACID ETHYL ESTER; EI-B; MS
- Ethyl cinnamate, 103-36-6[6]
- ETHYL 3-PHENYL-2-PROPENOATE; EI-B; MS
- ETHYL 3-PHENYL-2-PROPENOATE; CI-B; MS
- Ethyl cinnamate, 103-36-6[5]
- Ethyl cinnamate, 103-36-6[10]
- Ethyl cinnamate, 103-36-6[2]
-
ethyl 2-acetamido-3-(4-prop-2-enoxyphenyl)propanoate Molecule
InChIKey MBTNHLBOGYEUJA-UHFFFAOYSA-N Molecular Formula C16H21NO4
Related Dataset(s)
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[20]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[10]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[30]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[5]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[1]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[40]
- Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate[15]
-
naphthalene-1-carboxylic acid Molecule
InChIKey LNETULKMXZVUST-UHFFFAOYSA-N Molecular Formula C11H8O2
Related Dataset(s)
-
nfdi4chem-mol5324 (Unknown Molecule) Molecule
InChIKey VTPIYOLAFDQBFJ-HZJYTTRNSA-N
Related Dataset(s)
-
nfdi4chem-mol5557 (Unknown Molecule) Molecule
InChIKey PKNXRIUOSSUDRS-KTKRTIGZSA-N
Related Dataset(s)
-
nfdi4chem-mol9407 (Unknown Molecule) Molecule
InChIKey ATNHDLDRLWWWCB-WFJQZQDESA-M
Related Dataset(s)
-
nfdi4chem-mol9422 (Unknown Molecule) Molecule
InChIKey CAFVGZHUXKHLHJ-LDADJPATSA-N
Related Dataset(s)
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[13]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[12]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[11]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[10]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[16]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[15]
- 4-Methoxybenzaldehyde-O-triisopropylsilyloxime[14]
-
nfdi4chem-mol9459 (Unknown Molecule) Molecule
InChIKey SZWOAIASPHIEQQ-UHFFFAOYSA-N
Related Dataset(s)
