Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-23 05:41:32 UTC |
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Update Date | 2021-09-23 05:41:32 UTC |
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HMDB ID | HMDB0302013 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene |
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Description | 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene can be found in black crowberry, which makes 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene a potential biomarker for the consumption of this food product. |
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Structure | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1 InChI=1S/C37H47N3O7/c1-26(2)21-31(35(43)46-24-29-19-13-8-14-20-29)39-33(41)30(22-27-15-9-6-10-16-27)38-34(42)32(40-36(44)47-37(3,4)5)25-45-23-28-17-11-7-12-18-28/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,42)(H,39,41)(H,40,44) |
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Synonyms | Value | Source |
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3-(Benzyloxy)-N-(1-{[1-(benzyloxy)-4-methyl-1-oxopentan-2-yl]-C-hydroxycarbonimidoyl}-2-phenylethyl)-2-{[(tert-butoxy)(hydroxy)methylidene]amino}propanimidate | Generator |
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Chemical Formula | C37H47N3O7 |
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Average Molecular Weight | 645.785 |
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Monoisotopic Molecular Weight | 645.341400873 |
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IUPAC Name | benzyl 2-{2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]-3-phenylpropanamido}-4-methylpentanoate |
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Traditional Name | benzyl 2-{2-[3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanamido]-3-phenylpropanamido}-4-methylpentanoate |
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CAS Registry Number | Not Available |
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SMILES | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C37H47N3O7/c1-26(2)21-31(35(43)46-24-29-19-13-8-14-20-29)39-33(41)30(22-27-15-9-6-10-16-27)38-34(42)32(40-36(44)47-37(3,4)5)25-45-23-28-17-11-7-12-18-28/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,42)(H,39,41)(H,40,44) |
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InChI Key | QRTAICOFOHHOKD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Oligopeptides |
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Alternative Parents | |
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Substituents | - Alpha-oligopeptide
- Phenylalanine or derivatives
- Leucine or derivatives
- Alpha-amino acid ester
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Amphetamine or derivatives
- Benzyloxycarbonyl
- Benzylether
- Fatty acid ester
- Monocyclic benzene moiety
- Fatty acyl
- Benzenoid
- Fatty amide
- Carbamic acid ester
- Carbonic acid derivative
- Carboxylic acid ester
- Carboxamide group
- Secondary carboxylic acid amide
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Organooxygen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organonitrogen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C | 4312.7 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C | 3926.7 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C | 5909.5 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #2 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 4292.7 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #2 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 3945.4 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #2 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 5887.6 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 4276.9 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 3884.4 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 5815.0 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 4235.6 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 4004.4 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 5554.8 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #2 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 4208.1 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #2 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 3919.0 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #2 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 5478.1 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 4204.8 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 3919.6 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)OCC1=CC=CC=C1 | 5471.5 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,3TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 4186.0 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,3TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 3963.8 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,3TMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 5204.0 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C | 4515.8 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C | 4081.8 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C | 5857.3 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #2 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 4480.5 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #2 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 4101.4 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #2 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 5833.8 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 4494.4 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 4067.8 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,1TBDMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 5769.4 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4632.0 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4329.6 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #1 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5531.3 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #2 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4656.2 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #2 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4281.3 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #2 | CC(C)CC(C(=O)OCC1=CC=CC=C1)N(C(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 5461.1 | Standard polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 4635.9 | Semi standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 4282.4 | Standard non polar | 33892256 | 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene,2TBDMS,isomer #3 | CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)C(COCC1=CC=CC=C1)N(C(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)OCC1=CC=CC=C1 | 5460.0 | Standard polar | 33892256 |
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| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 10V, Positive-QTOF | splash10-0096-5043092000-e3c86d7dfe04489236d1 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 20V, Positive-QTOF | splash10-00tf-9364030000-6b746cd4e97eb1e30df7 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 40V, Positive-QTOF | splash10-05vo-9231000000-e4749235769a1bf229fb | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 10V, Negative-QTOF | splash10-00di-2210393000-08bab4281d5494fd8870 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 20V, Negative-QTOF | splash10-00di-9441772000-edfaca73d9d690cd9104 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 40V, Negative-QTOF | splash10-00di-9520000000-4f8ea030576ffc02899d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 10V, Positive-QTOF | splash10-002f-6212393000-09b11f88c12ef73d8627 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 20V, Positive-QTOF | splash10-0007-3123910000-44573bf82cd8a064b617 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 40V, Positive-QTOF | splash10-0006-9411100000-1afa3f9d23901823ebc9 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 10V, Negative-QTOF | splash10-0006-0101988000-4c6a6e84e918be78cc42 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 20V, Negative-QTOF | splash10-01po-2000900000-2af3ea31bf79e12652e5 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 40V, Negative-QTOF | splash10-0m29-6532900000-93237a2f66e3ccbd08a4 | 2021-10-21 | Wishart Lab | View Spectrum |
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