| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Nicotinuric acid GC-MS (2 TMS) | splash10-0a4i-3950000000-4ea0184fb844e85c5f60 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Nicotinuric acid GC-MS (Non-derivatized) | splash10-0a4i-3950000000-4ea0184fb844e85c5f60 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Nicotinuric acid GC-EI-TOF (Non-derivatized) | splash10-0a4i-0930000000-19848b215ab8a91b37d6 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Nicotinuric acid GC-EI-TOF (Non-derivatized) | splash10-0a4i-0920000000-e5bc4a37c92cbe93c926 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Nicotinuric acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-2900000000-27b6ba467f5df3c90772 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Nicotinuric acid GC-MS (1 TMS) - 70eV, Positive | splash10-052r-6900000000-cbc193435481d138180a | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Nicotinuric acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Nicotinuric acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-001r-0900000000-28e9d6d719938b6ef2a0 | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-0550-4900000000-4b12baba3c8ed421aab4 | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-004i-9000000000-ca65b11ed6964f642d97 | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 10V, Positive-QTOF | splash10-001r-0900000000-2ea65649864830c4592d | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 20V, Negative-QTOF | splash10-004i-9000000000-c350dfa18b26e812ddf6 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 40V, Negative-QTOF | splash10-004i-9000000000-92176234045453c39e18 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 10V, Negative-QTOF | splash10-004i-9400000000-2b06c9e150d173834b2b | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 30V, Positive-QTOF | splash10-055r-5900000000-cbb63a133a2eca67da76 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 10V, Positive-QTOF | splash10-001r-0900000000-a2d292d8b97e3068c1ca | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 10V, Positive-QTOF | splash10-001r-0900000000-01757174ec4bbbfe9187 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 0V, Positive-QTOF | splash10-001i-0900000000-e7ce537e2a3e5805fada | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 10V, Negative-QTOF | splash10-004r-7900000000-974123ca1d682fc00322 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 20V, Negative-QTOF | splash10-004i-9000000000-004cb59bf827d018b54c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 35V, Positive-QTOF | splash10-000i-0900000000-77b3ad5bcf7e7cd59a41 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 30V, Positive-QTOF | splash10-0as0-8900000000-7572e92ecd0721514f7a | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 30V, Negative-QTOF | splash10-004i-9000000000-42435d8b862daaa250fa | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 40V, Negative-QTOF | splash10-004i-9000000000-498fb0561add994d8bac | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 0V, Positive-QTOF | splash10-001i-0900000000-3ed1d19790df24452b11 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Nicotinuric acid 40V, Positive-QTOF | splash10-004i-9100000000-486a1f42c2a814cf32d5 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Nicotinuric acid 10V, Positive-QTOF | splash10-001i-0900000000-7691658645b49efa1218 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Nicotinuric acid 20V, Positive-QTOF | splash10-01q0-1900000000-90da23067cff9198189d | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Nicotinuric acid 40V, Positive-QTOF | splash10-0kai-9400000000-b6fb3beff4d893a45c9a | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Nicotinuric acid 10V, Negative-QTOF | splash10-004i-0900000000-2e3fc586dec1a239f580 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Nicotinuric acid 20V, Negative-QTOF | splash10-004i-2900000000-2e3ff3323d46a1520f5d | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Nicotinuric acid 40V, Negative-QTOF | splash10-004i-9200000000-053af4d9ef684962e67b | 2015-04-25 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Experimental 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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General References | - Hengen N, Seiberth V, Hengen M: High-performance liquid-chromatographic determination of free nicotinic acid and its metabolite, nicotinuric acid, in plasma and urine. Clin Chem. 1978 Oct;24(10):1740-3. [PubMed:699281 ]
- Miyauchi Y, Sano N, Nakamura T: Simultaneous determination of nicotinic acid and its two metabolites in human plasma using solid-phase extraction in combination with high performance liquid chromatography. Int J Vitam Nutr Res. 1993;63(2):145-9. [PubMed:8407165 ]
- Neuvonen PJ, Roivas L, Laine K, Sundholm O: The bioavailability of sustained release nicotinic acid formulations. Br J Clin Pharmacol. 1991 Oct;32(4):473-6. [PubMed:1958442 ]
- Figge HL, Figge J, Souney PF, Sacks FM, Shargel L, Janosik JE, Kaul AF: Comparison of excretion of nicotinuric acid after ingestion of two controlled release nicotinic acid preparations in man. J Clin Pharmacol. 1988 Dec;28(12):1136-40. [PubMed:3243933 ]
- Dieterle F, Ross A, Schlotterbeck G, Senn H: Metabolite projection analysis for fast identification of metabolites in metabonomics. Application in an amiodarone study. Anal Chem. 2006 Jun 1;78(11):3551-61. [PubMed:16737207 ]
- Pfuhl P, Karcher U, Haring N, Baumeister A, Tawab MA, Schubert-Zsilavecz M: Simultaneous determination of niacin, niacinamide and nicotinuric acid in human plasma. J Pharm Biomed Anal. 2005 Jan 4;36(5):1045-52. [PubMed:15620531 ]
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