| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Vanillic acid GC-MS (2 TMS) | splash10-0hp2-2691000000-8409d9c758b023c6576b | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Vanillic acid EI-B (Non-derivatized) | splash10-0gb9-2900000000-ccd8d4a214bc1a7f08c5 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Vanillic acid GC-MS (Non-derivatized) | splash10-0hp2-2691000000-8409d9c758b023c6576b | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Vanillic acid GC-EI-TOF (Non-derivatized) | splash10-0g0b-2981000000-a58243e35d1e3a64d2aa | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-0g4i-1900000000-851f4a1738be8dd91d47 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (2 TMS) - 70eV, Positive | splash10-00dj-7390000000-18c5f822b380ea00aa26 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Vanillic acid GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-0gb9-6900000000-c13506201c3612fc7ca5 | 2015-03-01 | Not Available | 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 - Vanillic acid Quattro_QQQ 10V, Negative-QTOF (Annotated) | splash10-0gb9-0900000000-0aa6709c16899e222086 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid Quattro_QQQ 25V, Negative-QTOF (Annotated) | splash10-0a4i-0900000000-9aa2b9d4aa89e6ac12ab | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid Quattro_QQQ 40V, Negative-QTOF (Annotated) | splash10-0a4i-0900000000-6d98ebfa89f4b8ee1e6b | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid EI-B (HITACHI M-80) , Positive-QTOF | splash10-0gb9-2900000000-babed327a6e49c6f7d51 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF | splash10-014i-0900000000-105f33777cee542cf6df | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF | splash10-05fr-1900000000-a502792703fa2f211035 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF | splash10-0a4l-5900000000-037ef32f4c68a5252b92 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF | splash10-0a4i-9800000000-ecd60ac022f5fee1d5ef | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF | splash10-066u-9300000000-c63f7f792794f3c748a0 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF , Negative-QTOF | splash10-014i-0923211100-7e9f357f7429cff05524 | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF 20V, Negative-QTOF | splash10-014i-0923211100-7e9f357f7429cff05524 | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF , Negative-QTOF | splash10-0a4i-0429110000-57f8760ce65d48cdc01f | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF 10V, Negative-QTOF | splash10-0a4i-0429110000-57f8760ce65d48cdc01f | 2017-08-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF , Negative-QTOF | splash10-014i-0923211100-7e9f357f7429cff05524 | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF 20V, Negative-QTOF | splash10-0a4i-0900000000-8e112ffa4dcc7c08b0fd | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF , Negative-QTOF | splash10-0a4i-0429110000-57f8760ce65d48cdc01f | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid ESI-TOF 10V, Negative-QTOF | splash10-0uxr-0900000000-29a2674dccd1fa478bd5 | 2017-09-12 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid LC-ESI-QQ , negative-QTOF | splash10-014i-0900000000-105f33777cee542cf6df | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Vanillic acid LC-ESI-QQ , negative-QTOF | splash10-05fr-1900000000-c4ce596998934098267b | 2017-09-14 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Vanillic acid 10V, Positive-QTOF | splash10-014i-0900000000-342964fa3647815dd1d2 | 2016-09-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Vanillic acid 20V, Positive-QTOF | splash10-0uxr-0900000000-f16c365899f9d95733d3 | 2016-09-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Vanillic acid 40V, Positive-QTOF | splash10-0zfs-5900000000-e5593db0a935e1534bc6 | 2016-09-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Vanillic acid 10V, Negative-QTOF | splash10-014i-0900000000-6a1a2db582acd95348ea | 2016-09-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Vanillic acid 20V, Negative-QTOF | splash10-0600-0900000000-eda6cfe601d63ed00f8d | 2016-09-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Vanillic acid 40V, Negative-QTOF | splash10-0a4i-6900000000-b2c1e3f6b255e94a10af | 2016-09-12 | 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) | 2012-12-04 | Wishart Lab | View Spectrum | Experimental 1D NMR | 13C NMR Spectrum (1D, 500 MHz, DMSO, experimental) | 2021-10-10 | 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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Disease References | Colorectal cancer |
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- Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
| Eosinophilic esophagitis |
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- Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
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General References | - Muskiet FA, Groen A: Urinary excretion of conjugated homovanillic acid, 3,4-dihydroxyphenylacetic acid, p-hydroxyphenylacetic acid, and vanillic acid by persons on their usual diet and patients with neuroblastoma. Clin Chem. 1979 Jul;25(7):1281-4. [PubMed:455649 ]
- Ebinger G, Verheyden R: On the occurence of vanillic acid in human brain and cerebrospinal fluid. J Neurol. 1976 Apr 23;212(2):133-8. [PubMed:57225 ]
- Lee BL, New AL, Kok PW, Ong HY, Shi CY, Ong CN: Urinary trans,trans-muconic acid determined by liquid chromatography: application in biological monitoring of benzene exposure. Clin Chem. 1993 Sep;39(9):1788-92. [PubMed:8375048 ]
- Dhananjaya BL, Nataraju A, Rajesh R, Raghavendra Gowda CD, Sharath BK, Vishwanath BS, D'Souza CJ: Anticoagulant effect of Naja naja venom 5'nucleotidase: demonstration through the use of novel specific inhibitor, vanillic acid. Toxicon. 2006 Sep 15;48(4):411-21. Epub 2006 Jul 7. [PubMed:16899266 ]
- Achterholt S, Priefert H, Steinbuchel A: Identification of Amycolatopsis sp. strain HR167 genes, involved in the bioconversion of ferulic acid to vanillin. Appl Microbiol Biotechnol. 2000 Dec;54(6):799-807. [PubMed:11152072 ]
- Overhage J, Priefert H, Steinbuchel A: Biochemical and genetic analyses of ferulic acid catabolism in Pseudomonas sp. Strain HR199. Appl Environ Microbiol. 1999 Nov;65(11):4837-47. [PubMed:10543794 ]
- Plaggenborg R, Steinbuchel A, Priefert H: The coenzyme A-dependent, non-beta-oxidation pathway and not direct deacetylation is the major route for ferulic acid degradation in Delftia acidovorans. FEMS Microbiol Lett. 2001 Nov 27;205(1):9-16. doi: 10.1111/j.1574-6968.2001.tb10918.x. [PubMed:11728709 ]
- Venturi V, Zennaro F, Degrassi G, Okeke BC, Bruschi CV: Genetics of ferulic acid bioconversion to protocatechuic acid in plant-growth-promoting Pseudomonas putida WCS358. Microbiology. 1998 Apr;144 ( Pt 4):965-73. doi: 10.1099/00221287-144-4-965. [PubMed:9579070 ]
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