-
2-[4-(2-methylpropyl)phenyl]propanoic acid Molecule
InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-N Molecular Formula C13H18O2
Related Dataset(s)
- Ibuprofen.dept
- Ibuprofen; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [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
- Luc_Ibuprofen_CMCse.c13
- Ibuprofen; LC-ESI-QQ; MS; ESI; POSITIVE
- Ibuprofen.hmbc
- Ibuprofen[2]
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+
- Luc_Ibuprofen_CMCse[3]
- Luc_Ibuprofen_CMCse[4]
- Ibuprofen; LC-ESI-Q; MS; NEG; 60 V, 90 V
- Ibuprofen; LC-ESI-Q; MS; NEG; 30 V
- Ibuprofen; LC-ESI-Q; MS; NEG; 45 V
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- Ibuprofen.hsqc
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- Ibuprofen; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Ibuprofen.
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:73
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+NH4]+
- Luc_Ibuprofen_CMCse.hmbc
- Ibuprofen[3]
- 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]+
- 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]-
- Luc_Ibuprofen_CMCse.proton
- Ibuprofen.1d
- Ibuprofen; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- 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; LC-ESI-QTOF; MS2; 20 V
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+
- Ibuprofen.cosy
- Ibuprofen.hmbc
- Ibuprofen[5]
- Ibuprofen; LC-ESI-Q; MS; NEG; 15 V
- 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID; EI-B; MS
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS; ESI; NEGATIVE
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
-
2-acetyloxybenzoic acid Molecule
InChIKey BSYNRYMUTXBXSQ-UHFFFAOYSA-N Molecular Formula C9H8O4
Related Dataset(s)
- Aspirin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
- 50-78-2.cosy
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 30 V
- 50-78-2[cosy.ser.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 60 V, 90 V
- Aspirin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
- ACETYL SALYCYLIC ACID; CI-B; MS
- 50-78-2.hmbc
- Aspirin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
- 50-78-2.proton
- Aspirin; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
- 50-78-2.c13
- Aspirin; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
- 50-78-2.hmqc
- Aspirin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
- 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: 120; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
- Aspirin; LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
- ACETYLSALICYLIC ACID; EI-B; MS
- 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; EI-B; MS; n TMS; RT: 592.29 s
- 50-78-2[13c.fid.dx]
- 50-78-2[1h.dx]
- Aspirin; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
- 50-78-2.hmqc
- Aspirin; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
- Aspirin; LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
- Acetylsalicylic acid; GC-EI-TOF; MS; n TMS; RT:556.862 sec
- 50-78-2[hmbc.dx]
- Acetylsalicylic acid; LC-ESI-Q; MS; NEG; 15 V
- Acetylsalicylic acid; LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
-
2-bromopropane Molecule
InChIKey NAMYKGVDVNBCFQ-UHFFFAOYSA-N Molecular Formula C3H7Br
Related Dataset(s)
-
2-ethylhexan-1-ol Molecule
InChIKey YIWUKEYIRIRTPP-UHFFFAOYSA-N Molecular Formula C8H18O
Related Dataset(s)
- correlation spectroscopy (COSY)
- 2-ETHYL-1-HEXANOL; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 2-ETHYLHEXANOL; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-ETHYLHEXANOL; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2-fluorobenzoic acid Molecule
InChIKey NSTREUWFTAOOKS-UHFFFAOYSA-N Molecular Formula C7H5FO2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- ORTHO-FLUOROBENZOIC ACID; EI-B; MS
- o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
2-formylbenzonitrile Molecule
InChIKey QVTPWONEVZJCCS-UHFFFAOYSA-N Molecular Formula C8H5NO
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- ORTHO-CYANOBENZALDEHYDE; EI-B; MS
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
-
2-hydroxyacetic acid Molecule
InChIKey AEMRFAOFKBGASW-UHFFFAOYSA-N Molecular Formula C2H4O3
Related Dataset(s)
- Glycolic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Hydroxyacetic acid, Hydroxyethanoic acid, Glycolate, Glycolic acid; LC-ESI-QQ; MS2
- Glycolic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- Glycolic acid; GC-EI-TOF; MS; n TMS; RT:298.444 sec
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Glycolic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Glycolic acid; EI-B; MS; 2 TMS; RT: 313.46 s
- Glycolic acid; GC-EI-TOF; MS; 2 TMS; BP:73
- GLYCOLIC ACID; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- GLYCOLIC ACID; EI-B; MS
-
2-hydroxypropane-1,2,3-tricarboxylic acid Molecule
InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N Molecular Formula C6H8O7
Related Dataset(s)
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Citric acid, 77-92-9.cosy
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- 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:10 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+
- Citric acid; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid, 77-92-9[8]
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid, 77-92-9[3]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 130 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
- Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid, 77-92-9[7]
- Citric acid, 77-92-9[6]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- 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; CE:Ramp 5-60 V; [M-H]-
- Citric acid (Not validated, isomer of 228); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- 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; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-QTOF; MS2; 30 V
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid (Not validated, isomer of 227); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QTOF; MS2; 110 V
- Citric acid, 77-92-9[5]
- Citric acid; LC-ESI-QTOF; MS2; 140 V
- Citric acid, 77-92-9[1]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:73
- Citric acid; LC-ESI-QTOF; MS2; 100 V
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; GC-EI-TOF; MS; n TMS; RT:692.409 sec
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- 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; 120 V
- Citric acid; LC-ESI-QTOF; MS2; 150 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; GC-EI-Q; MS; POSITIVE; 4 TMS-derivative
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid, 77-92-9[4]
- Citric acid; LC-ESI-QTOF; MS2; 70 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, 2-hydroxypropane-1,2,3-tricarboxylic acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QTOF; MS2
-
2-iodo-N-phenylbenzamide Molecule
InChIKey LJOZMWRYMKECFF-UHFFFAOYSA-N Molecular Formula C13H10INO
Related Dataset(s)
- Benodanil; LC-ESI-QTOF; MS2; 150 V
- Benodanil; LC-ESI-QTOF; MS2; 140 V
- Benodanil; LC-ESI-QTOF; MS2; 50 V
- Benodanil; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 150 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-QFT; MS2; CE: 180%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
- Benodanil; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
- Benodanil; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 110 V
- Benodanil; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
- infrared absorption spectroscopy (IR)
- Benodanil; LC-ESI-QTOF; MS2; 10 V
- Benodanil; LC-ESI-QTOF; MS2; 80 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QTOF; MS2; 20 V
- Benodanil; LC-ESI-QTOF; MS2; 80 V
- Benodanil; LC-ESI-QTOF; MS2; 50 V
- Benodanil; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 130 V
- Benodanil; LC-ESI-QTOF; MS2; 130 V
- Benodanil; LC-ESI-QTOF; MS2; 110 V
- Benodanil; LC-ESI-QTOF; MS2; 30 V
- Benodanil; LC-ESI-QTOF; MS2; 70 V
- Benodanil; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 90 V
- Benodanil; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 70 V
- Benodanil; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 10 V
- Benodanil; LC-ESI-QTOF; MS2; 40 V
- Benodanil; LC-ESI-QTOF; MS2; 90 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Benodanil; LC-ESI-QTOF; MS2; 100 V
- Benodanil; LC-ESI-QTOF; MS2; 120 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Benodanil; LC-ESI-QTOF; MS2; 20 V
- Benodanil; LC-ESI-QTOF; MS2; 100 V
- Benodanil; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 140 V
- Benodanil; LC-ESI-QTOF; MS2; 60 V
- Benodanil; LC-ESI-QTOF; MS2; 60 V
- Benodanil; LC-ESI-QTOF; MS2; 120 V
- electron ionisation mass spectrometry (EI-MS)
- Benodanil; LC-ESI-QTOF; MS2; 30 V
- Benodanil; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
- Benodanil; LC-ESI-QTOF; MS2; 40 V
-
2-iodobenzoic acid Molecule
InChIKey CJNZAXGUTKBIHP-UHFFFAOYSA-N Molecular Formula C7H5IO2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-IODOBENZOIC ACID; EI-B; MS
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- ORTHO-IODOBENZOIC ACID; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
-
2-methoxy-4-prop-2-enylphenol Molecule
InChIKey RRAFCDWBNXTKKO-UHFFFAOYSA-N Molecular Formula C10H12O2
Related Dataset(s)
- EUGENOL.noesy
- Eugenol 400 MHz CDCl3 NMR data.2d
- Classics_Eugenol[1]
- Classics_Eugenol[5]
- EUGENOL.cosy
- Classics_Eugenol.jres
- EUGENOL; EI-B; MS
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- 2-METHOXY-4-(2-PROPENYL)PHENOL; EI-B; MS
- EUGENOL.proton
- Eugenol 400 MHz CDCl3 NMR data.hmbc
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- EUGENOL; EI-B; MS
- EUGENOL.hsqc
- Eugenol 400 MHz CDCl3 NMR data.2d
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
- Eugenol 400 MHz CDCl3 NMR data.2d
- EUGENOL.c13
- Classics_Eugenol[8]
- EUGENOL.hmbc
- EUGENOL; EI-B; MS
- EUGENOL; EI-B; MS
- EUGENOL; EI-B; MS
- Eugenol 400 MHz CDCl3 NMR data.1d
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Classics_Eugenol[4]
- Classics_Eugenol[3]
- Classics_Eugenol[6]
- Eugenol 400 MHz CDCl3 NMR data.1d
- Eugenol 400 MHz CDCl3 NMR data.1d
- Eugenol 400 MHz CDCl3 NMR data.
- Eugenol 400 MHz CDCl3 NMR data.hsqc
- Classics_Eugenol[2]
- Eugenol 400 MHz CDCl3 NMR data.cosy
- Eugenol; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
-
2-methyl-1H-benzimidazole Molecule
InChIKey LDZYRENCLPUXAX-UHFFFAOYSA-N Molecular Formula C8H8N2
Related Dataset(s)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 70 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 10 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 120 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 80 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 40 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 20 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 30 V
- heteronuclear multiple bond coherence (HMBC)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 90 V
- distortionless enhancement with polarization transfer (DEPT)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 150 V
- distortionless enhancement with polarization transfer (DEPT)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 60 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 140 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 40 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 100 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 130 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 50 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 110 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- heteronuclear single quantum coherence (HSQC)
-
2-methyl-6-methylideneocta-2,7-dien-4-ol Molecule
InChIKey NHMKYUHMPXBMFI-UHFFFAOYSA-N Molecular Formula C10H16O
Related Dataset(s)
- 14434-41-4[cosy.ser.dx]
- 14434-41-4[hmqc.ser.dx]
- 14434-41-4[1h.fid.dx]
- 14434-41-4[dept135.dx]
- 14434-41-4[hmbc.dx]
- 14434-41-4[hmqc.dx]
- 2-METHYL-6-METHYLENE-2,7-OCTADIEN-4-OL; EI-B; MS
- 14434-41-4[13c.dx]
- 14434-41-4[13c.fid.dx]
- 14434-41-4[1h.dx]
- 14434-41-4[hmbc.ser.dx]
- 14434-41-4[dept135.fid.dx]
- 14434-41-4[cosy.dx]
-
2-methylbenzaldehyde Molecule
InChIKey BTFQKIATRPGRBS-UHFFFAOYSA-N Molecular Formula C8H8O
Related Dataset(s)
- ORTHO TOLUALDEHYDE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-Tolualdehyde; ESI-QTOF; MS2; CE: 20; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- O-METHYLBENZALDEHYDE; EI-B; MS
- 2-Tolualdehyde; ESI-QTOF; MS2; CE: 40; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
2-methylpyridine Molecule
InChIKey BSKHPKMHTQYZBB-UHFFFAOYSA-N Molecular Formula C6H7N
Related Dataset(s)
- ALPHA-PICOLINE; EI-B; MS
- 2-METHYLPYRIDINE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- 2-PICOLINE; EI-B; MS
-
2-phenylacetaldehyde Molecule
InChIKey DTUQWGWMVIHBKE-UHFFFAOYSA-N Molecular Formula C8H8O
Related Dataset(s)
-
3,4,5-trihydroxybenzoic acid Molecule
InChIKey LNTHITQWFMADLM-UHFFFAOYSA-N Molecular Formula C7H6O5
Related Dataset(s)
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.1d
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.cosy
- Gallic acid annotated NMR 400 MHz DMSOd6 data.2d
- Gallic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Gallic acid annotated NMR 400 MHz DMSOd6 data.2d
- Gallic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.1d
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.hsqc
- 3,4,5-TRIHYDROXYBENZOIC ACID; EI-B; MS
- Gallic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Gallic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.hmbc
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; GC-EI-TOF; MS; n TMS; RT:749.744 sec
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid annotated NMR 400 MHz DMSOd6 data.2d
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QQ; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
- Gallic acid; LC-ESI-QTOF; MS2
-
3,4-dihydro-2H-naphthalen-1-one Molecule
InChIKey XHLHPRDBBAGVEG-UHFFFAOYSA-N Molecular Formula C10H10O
Related Dataset(s)
-
3,4-dihydroxybenzaldehyde Molecule
InChIKey IBGBGRVKPALMCQ-UHFFFAOYSA-N Molecular Formula C7H6O3
Related Dataset(s)
- Protocatechuic aldehyde; LC-ESI-QTOF; MS
- Protocatechuic aldehyde; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
- Protocatechuic aldehyde; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Protocatechuic aldehyde; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy... Molecule
InChIKey DGQLVPJVXFOQEV-JNVSTXMASA-N Molecular Formula C22H20O13
Related Dataset(s)
- NMR_Bruker-FID[5]
- Carminic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- Carminic acid; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
- NMR_Bruker-FID[6]
- Carminic acid; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Carminic acid; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Bruker-FID[4]
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- circular dichroism spectroscopy (CD spectrometry)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- NMR_Bruker-FID[2]
- 1H--1H correlation spectroscopy (1H-1H COSY)
- Carminic acid; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
- ultraviolet-visible spectrophotometry (UV-VIS)
- Carminic acid; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- NMR_Bruker-FID[3]
- NMR_Bruker-FID[1]
- electrospray ionisation tandem mass spectrometry (ESI-MS2)
