| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-004i-0942000000-54f714e694a7c3daeaf4 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized) | splash10-004i-0931000000-c4bb79d921fb42cf1b40 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-00di-9310000000-9490bd0ec921894341f4 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-MS (3 TMS) | splash10-004i-0952000000-d45a1420d6ae61cb9169 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-EI-TOF (Non-derivatized) | splash10-004i-0942000000-54f714e694a7c3daeaf4 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-EI-TOF (Non-derivatized) | splash10-004i-0931000000-c4bb79d921fb42cf1b40 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-EI-TOF (Non-derivatized) | splash10-00di-9310000000-9490bd0ec921894341f4 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-MS (Non-derivatized) | splash10-004i-0952000000-d45a1420d6ae61cb9169 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-EI-TOF (Non-derivatized) | splash10-004i-0931000000-3fab9c521f7f85372b94 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-00di-3900000000-9badffe195f5e0ba98e0 | 2017-07-27 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-MS (3 TMS) - 70eV, Positive | splash10-014i-4093000000-178e6eeb94df071e6c15 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3,4-Dihydroxybenzeneacetic 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 - 3,4-Dihydroxybenzeneacetic acid , negative-QTOF | splash10-014i-0900000000-709dd9faccdbbb3dc088 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 40V, Negative-QTOF | splash10-0a4l-9100000000-cf69597350b36ab34199 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 20V, Negative-QTOF | splash10-0a4i-9200000000-298c198dac69afd9b0a3 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 35V, Negative-QTOF | splash10-014i-0900000000-ace1596cdfcf99646e9f | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 35V, Negative-QTOF | splash10-00di-0900000000-e7f718ad00bdba667583 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 35V, Negative-QTOF | splash10-00di-1900000000-d8334a99b44e227f0c59 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 10V, Negative-QTOF | splash10-01b9-1900000000-72071b19a4bfa3da409d | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-00di-0900000000-3e7377f36ca2547f4885 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-00di-2900000000-60e1fc55d54131c2923e | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-0fi0-9400000000-c63542b296bac95866e2 | 2012-07-24 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 10V, Negative-QTOF | splash10-01b9-0900000000-a59d2cab0d3d859760a7 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 20V, Negative-QTOF | splash10-00xs-1900000000-6f630370c11294562cb7 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 40V, Negative-QTOF | splash10-0a4l-9800000000-a45be46f3b52664dd4d1 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 10V, Negative-QTOF | splash10-01b9-0900000000-a59d2cab0d3d859760a7 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 20V, Negative-QTOF | splash10-00xs-1900000000-6f630370c11294562cb7 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 40V, Negative-QTOF | splash10-0a4l-9800000000-a45be46f3b52664dd4d1 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 10V, Negative-QTOF | splash10-00di-0900000000-aec26fe78ab78ddd4021 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 20V, Negative-QTOF | splash10-00dj-2900000000-e59402b8b36f408fbe1c | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 40V, Negative-QTOF | splash10-00r6-9400000000-f36bad25ade880ae2e1f | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 10V, Positive-QTOF | splash10-0udi-0900000000-579796710abc38249c3a | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 20V, Positive-QTOF | splash10-0fk9-0900000000-22f8a4f4efd0f10804b5 | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 40V, Positive-QTOF | splash10-0zmi-9700000000-42b3de6bccbc10ad7b48 | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 10V, Positive-QTOF | splash10-0udi-0900000000-579796710abc38249c3a | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 20V, Positive-QTOF | splash10-0fk9-0900000000-22f8a4f4efd0f10804b5 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3,4-Dihydroxybenzeneacetic acid 40V, Positive-QTOF | splash10-0zmi-9700000000-42b3de6bccbc10ad7b48 | 2015-05-27 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Experimental 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 2012-12-04 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | 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 (Quadrupole Ion Trap, ESI-, Adduct: [M-H]-) | 2022-02-11 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Quadrupole Ion Trap, ESI+, Adduct: [M+Na]+) | 2022-02-11 | 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+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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