-
1-methoxy-4-prop-2-enylbenzene Molecule
InChIKey ZFMSMUAANRJZFM-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- Classics_Estragole[4]
- Classics_Estragole[1]
- 4-ALLYLANISOLE; EI-B; MS
- 4-ALLYLANISOLE; EI-B; MS
- 140-67-0[13c.dx]
- Classics_Estragole[2]
- 140-67-0[hsqc.ser.dx]
- Classics_Estragole[5]
- 140-67-0[1h.dx]
- 140-67-0[1h.fid.dx]
- 140-67-0.hsqc
- P-ALLYL ANISOLE; EI-B; MS
- 140-67-0[13c.fid.dx]
- Estragole; ESI-QTOF; MS2; CE: 10; [M+H]+
- 140-67-0[hmbc.ser.dx]
- 140-67-0.dept135
- 140-67-0[dept135.dx]
- 140-67-0[cosy.dx]
- 140-67-0[cosy.ser.dx]
- Estragole; ESI-QTOF; MS2; CE: 20; [M+H]+
- 140-67-0[hmbc.dx]
- Classics_Estragole[3]
- Classics_Estragole[6]
-
1H-imidazole Molecule
InChIKey RAXXELZNTBOGNW-UHFFFAOYSA-N Molecular Formula C3H4N2
Related Dataset(s)
- Imidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- IMIDAZOLE; EI-B; MS
- Imidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- Imidazole; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Imidazole; ESI-QTOF; MS2; CE: 20; [M-H]-
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- Imidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Imidazole; ESI-QTOF; MS2; CE: 10; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Imidazole; ESI-QTOF; MS2; CE: 10; [M-H]-
- Imidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- Imidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- Imidazole; ESI-QTOF; MS2; CE: 40; [M+H]+
- heteronuclear multiple bond coherence (HMBC)
- Imidazole; ESI-QTOF; MS2; CE: 20; [M+H]+
-
1H-quinolin-2-one Molecule
InChIKey LISFMEBWQUVKPJ-UHFFFAOYSA-N Molecular Formula C9H7NO
Related Dataset(s)
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: Ramp 16.1-24.1 eV; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
- 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
- infrared absorption spectroscopy (IR)
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- mass spectrometry (MS)
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
- 2-Hydroxyquinoline; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
-
2,4,6-trimethylaniline Molecule
InChIKey KWVPRPSXBZNOHS-UHFFFAOYSA-N Molecular Formula C9H13N
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- correlation spectroscopy (COSY)
- 2,4,6-TRIMETHYLANILINE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
-
2,4,6-trimethylbenzaldehyde Molecule
InChIKey HIKRJHFHGKZKRI-UHFFFAOYSA-N Molecular Formula C10H12O
Related Dataset(s)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- MESITYLALDEHYDE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
-
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; 150 V
- 16485-10-2[1h.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 100 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- 16485-10-2[1dnoe-7-74.dx]
- Panthenol; LC-ESI-QTOF; MS; POSITIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 70 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 120 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 60 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 10 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 110 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 90 V
- 16485-10-2[apt.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 150 V
- Panthenol; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
- Dexpanthenol; LC-ESI-QTOF; MS2; 20 V
- Panthenol; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- Panthenol; LC-ESI-QTOF; MS; NEGATIVE
- 16485-10-2[cosy.dx]
- 16485-10-2[dept135.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 30 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- 16485-10-2[13c.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 130 V
- 16485-10-2[1dnoe-3-70.dx]
- 16485-10-2[hn-hsqc.dx]
- Panthenol; LC-APCI-QTOF; MS; NEGATIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 50 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 140 V
- 16485-10-2[hmbc.dx]
- 16485-10-2[hmqc.dx]
- Dexpanthenol; LC-ESI-QTOF; MS2; 80 V
- Panthenol; LC-APCI-QTOF; MS; POSITIVE
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
- Dexpanthenol; LC-ESI-QTOF; MS2; 40 V
-
2,9-dimethyl-1,10-phenanthroline Molecule
InChIKey IYRGXJIJGHOCFS-UHFFFAOYSA-N Molecular Formula C14H12N2
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- Neocuproine; LC-ESI-QTOF; MS2
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Neocuproine; LC-ESI-QTOF; MS2
- heteronuclear multiple bond coherence (HMBC)
- 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
- distortionless enhancement with polarization transfer (DEPT)
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- correlation spectroscopy (COSY)
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
- Neocuproine; LC-ESI-QTOF; MS2
-
2-[(4-methylbenzoyl)amino]acetic acid Molecule
InChIKey NRSCPTLHWVWLLH-UHFFFAOYSA-N Molecular Formula C10H11NO3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- heteronuclear multiple bond coherence (HMBC)
- PARA-METHYLHIPPURIC ACID; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
2-[4-(2-methylpropyl)phenyl]propanoic acid Molecule
InChIKey HEFNNWSXXWATRW-UHFFFAOYSA-N Molecular Formula C13H18O2
Related Dataset(s)
- Ibuprofen; LC-ESI-QQ; MS; ESI; POSITIVE
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+NH4]+
- Ibuprofen; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
- Ibuprofen.hsqc
- Luc_Ibuprofen_CMCse[5]
- Ibuprofen[5]
- Ibuprofen; LC-ESI-Q; MS; NEG; 45 V
- Ibuprofen; LC-ESI-Q; MS; NEG; 60 V, 90 V
- Ibuprofen; LC-ESI-QQ; MS; ESI; NEGATIVE
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
- Ibuprofen; LC-ESI-Q; MS; NEG; 30 V
- Luc_Ibuprofen_CMCse[2]
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- Luc_Ibuprofen_CMCse.proton
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:73
- Luc_Ibuprofen_CMCse[3]
- Ibuprofen; LC-ESI-Q; MS; NEG; 15 V
- Ibuprofen; GC-EI-TOF; MS; 1 TMS; BP:160
- 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID; EI-B; MS
- 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[2]
- Ibuprofen[6]
- Ibuprofen; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
- Ibuprofen[3]
- Luc_Ibuprofen_CMCse[4]
- Ibuprofen[7]
- 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-QTOF; MS2; 20 V
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+
- Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
- Ibuprofen[1]
- Ibuprofen.hmbc
- Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+
- Ibuprofen[4]
- Ibuprofen; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
- Ibuprofen.cosy
-
2-ethylhexan-1-ol Molecule
InChIKey YIWUKEYIRIRTPP-UHFFFAOYSA-N Molecular Formula C8H18O
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 2-ETHYLHEXANOL; EI-B; MS
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 2-ETHYLHEXANOL; EI-B; MS
- 2-ETHYL-1-HEXANOL; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
-
2-formylbenzonitrile Molecule
InChIKey QVTPWONEVZJCCS-UHFFFAOYSA-N Molecular Formula C8H5NO
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ORTHO-CYANOBENZALDEHYDE; EI-B; MS
- correlation spectroscopy (COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
-
2-hydroxyacetic acid Molecule
InChIKey AEMRFAOFKBGASW-UHFFFAOYSA-N Molecular Formula C2H4O3
Related Dataset(s)
- Glycolic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Hydroxyacetic acid, Hydroxyethanoic acid, Glycolate, Glycolic acid; LC-ESI-QQ; MS2
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Glycolic acid; GC-EI-TOF; MS; 2 TMS; BP:73
- Glycolic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- GLYCOLIC ACID; EI-B; MS
- Glycolic acid; GC-EI-TOF; MS; n TMS; RT:298.444 sec
- GLYCOLIC ACID; EI-B; MS
- Glycolic acid; EI-B; MS; 2 TMS; RT: 313.46 s
- correlation spectroscopy (COSY)
- Glycolic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
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; LC-ESI-QQ; MS2; CE:40 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; 30 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid, 77-92-9[4]
- Citric acid, 77-92-9[3]
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; GC-EI-TOF; MS; n TMS; RT:692.409 sec
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 130 V
- Citric acid; LC-ESI-QTOF; MS2; 80 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+
- Citric acid; LC-ESI-QTOF; MS2; 140 V
- Citric acid; LC-ESI-QTOF; MS2; 150 V
- Citric acid, 77-92-9[2]
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; LC-ESI-QTOF; MS2; 70 V
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid, 77-92-9[6]
- Citric acid; LC-ESI-ITFT; MS; NEG
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+
- Citric acid; LC-ESI-QTOF; MS2; 110 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Citric acid, 77-92-9[1]
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- 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; 40 V
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:73
- Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+
- Citric acid; LC-ESI-QTOF; MS2; 100 V
- Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
- Citric acid; LC-ESI-QTOF; MS2; 60 V
- Citric acid; LC-ESI-QTOF; MS2; 20 V
- Citric acid (Not validated, isomer of 228); LC-ESI-QTOF; MS2
- Citric acid, 77-92-9[7]
- Citric acid (Not validated, isomer of 227); LC-ESI-QTOF; MS2
- Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- Citric acid, 77-92-9[5]
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 90 V
- Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147
- Citric acid; LC-ESI-QTOF; MS2; 50 V
- Citric acid; LC-ESI-QTOF; MS2; 40 V
- Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
- Citric acid; LC-ESI-QTOF; MS2; 10 V
- Citric acid; LC-ESI-ITFT; MS2; m/z:111.01; NEG
- Citric acid; LC-ESI-IT; MS2; m/z: 191.1; [M-H]-
- Citric acid; GC-EI-Q; MS; POSITIVE; 4TBDMS-derivative
- Citric acid; LC-ESI-QTOF; MS2; 120 V
- Citric acid; LC-ESI-QTOF; MS2; 70 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-Q; MS; POSITIVE; 4 TMS-derivative
- Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- Citric acid, 77-92-9[8]
- Citric acid; LC-ESI-ITFT; MS2; m/z:191.02; NEG
-
2-iodobenzoic acid Molecule
InChIKey CJNZAXGUTKBIHP-UHFFFAOYSA-N Molecular Formula C7H5IO2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-IODOBENZOIC ACID; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- ORTHO-IODOBENZOIC ACID; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
2-methyl-1H-benzimidazole Molecule
InChIKey LDZYRENCLPUXAX-UHFFFAOYSA-N Molecular Formula C8H8N2
Related Dataset(s)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 80 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 90 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 30 V
- heteronuclear single quantum coherence (HSQC)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 50 V
- distortionless enhancement with polarization transfer (DEPT)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 150 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 110 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 40 V
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 120 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 10 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 20 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 140 V
- distortionless enhancement with polarization transfer (DEPT)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 130 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 60 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 70 V
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 40 V
- 2-Methylbenzimidazole; LC-ESI-QTOF; MS2; 100 V
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
2-methyl-6-methylideneocta-2,7-dien-4-ol Molecule
InChIKey NHMKYUHMPXBMFI-UHFFFAOYSA-N Molecular Formula C10H16O
Related Dataset(s)
- 14434-41-4[hmbc.dx]
- 2-METHYL-6-METHYLENE-2,7-OCTADIEN-4-OL; EI-B; MS
- 14434-41-4[13c.dx]
- 14434-41-4[hmqc.ser.dx]
- 14434-41-4[cosy.dx]
- 14434-41-4[1h.fid.dx]
- 14434-41-4[hmbc.ser.dx]
- 14434-41-4[13c.fid.dx]
- 14434-41-4[1h.dx]
- 14434-41-4[hmqc.dx]
- 14434-41-4[dept135.fid.dx]
- 14434-41-4[dept135.dx]
- 14434-41-4[cosy.ser.dx]
-
2-methylbenzaldehyde Molecule
InChIKey BTFQKIATRPGRBS-UHFFFAOYSA-N Molecular Formula C8H8O
Related Dataset(s)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 2-Tolualdehyde; ESI-QTOF; MS2; CE: 20; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- O-METHYLBENZALDEHYDE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- ORTHO TOLUALDEHYDE; EI-B; MS
- correlation spectroscopy (COSY)
- 2-Tolualdehyde; ESI-QTOF; MS2; CE: 40; [M+H]+
- heteronuclear multiple bond coherence (HMBC)
-
2-methylpyridine Molecule
InChIKey BSKHPKMHTQYZBB-UHFFFAOYSA-N Molecular Formula C6H7N
Related Dataset(s)
- 2-PICOLINE; EI-B; MS
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- ALPHA-PICOLINE; EI-B; MS
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 2-METHYLPYRIDINE; EI-B; MS
-
3-bromobenzaldehyde Molecule
InChIKey SUISZCALMBHJQX-UHFFFAOYSA-N Molecular Formula C7H5BrO
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- M-BROMOBENZALDEHYDE; EI-B; MS
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
3-methylbenzaldehyde Molecule
InChIKey OVWYEQOVUDKZNU-UHFFFAOYSA-N Molecular Formula C8H8O
Related Dataset(s)
- correlation spectroscopy (COSY)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- META TOLUALDEHYDE; EI-B; MS
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- M-METHYLBENZALDEHYDE; EI-B; MS
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
