Spectra

1826 spectra selected

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1

Structure

Comments

2D NMR 1H-13C Long-range correlation

mz2-514-hmbc.JPG

14/03/2010 16:56:37

False

Section hmbc.

2D NMR 1H-13C Direct correlation

mz2-514-hsqc.JPG

14/03/2010 16:55:39

False

Section HSQC.

2D NMR 1H-1H COSY

mz2-514-cosy.JPG

14/03/2010 16:53:48

False

Section cosy.

CNMR

mz2-514_c.jdx

14/03/2010 16:23:37

False

mz2-514 / cdcl3

HNMR

mz2-514_h.jdx

14/03/2010 16:22:46

False

mz2-514 / cdcl3

CNMR

ASPIRINCNMR.jdx

07/03/2010 13:41:11

True

CNMR spectrum of aspirin

HNMR

ASPIRINHNMR.jdx

07/03/2010 13:40:08

True

HNMR spectrum of Aspirin

Infrared

2-bromo-propanoicacid.jdx

28/02/2010 02:03:34

True

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .

Raman

ACETOACETATE.jdx

27/02/2010 02:54:05

True

Joke De Gelder, Kris De Gussem, Peter Vandenabeele, Luc Moens, Reference database of Raman spectra of biological molecules, Journal of Raman spectroscopy (2007) 38(9): 1138 Creative Commons 2.5 - Non Commercial - No derivatives license

CNMR

mz2-511_c.jdx

25/02/2010 16:44:43

False

mz2-511 / D2O + NaOD

CNMR

expnmr_00268_3.jdx

15/02/2010 16:28:21

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

HNMR

expnmr_00268_1.jdx

15/02/2010 16:27:36

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

CNMR

expnmr_00267_3.jdx

15/02/2010 16:26:10

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

HNMR

expnmr_00267_1.jdx

15/02/2010 16:25:33

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

CNMR

expnmr_00265_3.jdx

15/02/2010 16:23:28

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

HNMR

expnmr_00265_1.jdx

15/02/2010 16:22:51

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

CNMR

expnmr_00264_3.jdx

15/02/2010 16:21:22

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

HNMR

expnmr_00264_1.jdx

15/02/2010 16:20:45

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

HNMR

expnmr_00263_1.jdx

15/02/2010 16:17:55

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

CNMR

expnmr_00261_3.jdx

15/02/2010 16:16:25

True

Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

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