Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 00:23:33 UTC |
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Update Date | 2022-03-07 02:56:03 UTC |
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HMDB ID | HMDB0039040 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Apiumoside |
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Description | Apiumoside belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Apiumoside has been detected, but not quantified in, green vegetables and wild celeries (Apium graveolens). This could make apiumoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Apiumoside. |
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Structure | CC(C)(OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2 InChI=1S/C29H30O12/c1-29(2,19-12-16-11-15-6-10-21(32)40-26(15)25(36)27(16)39-19)41-28-24(35)23(34)22(33)18(38-28)13-37-20(31)9-5-14-3-7-17(30)8-4-14/h3-11,18-19,22-24,28,30,33-36H,12-13H2,1-2H3/b9-5+ |
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Synonyms | Value | Source |
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{3,4,5-trihydroxy-6-[(2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | HMDB |
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Chemical Formula | C29H30O12 |
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Average Molecular Weight | 570.5413 |
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Monoisotopic Molecular Weight | 570.173726424 |
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IUPAC Name | {3,4,5-trihydroxy-6-[(2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate |
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Traditional Name | {3,4,5-trihydroxy-6-[(2-{9-hydroxy-7-oxo-2H,3H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate |
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CAS Registry Number | 73485-93-5 |
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SMILES | CC(C)(OC1OC(COC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C(O)C1O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2 |
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InChI Identifier | InChI=1S/C29H30O12/c1-29(2,19-12-16-11-15-6-10-21(32)40-26(15)25(36)27(16)39-19)41-28-24(35)23(34)22(33)18(38-28)13-37-20(31)9-5-14-3-7-17(30)8-4-14/h3-11,18-19,22-24,28,30,33-36H,12-13H2,1-2H3/b9-5+ |
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InChI Key | PUPQENMYBCRTJC-WEVVVXLNSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Coumarins and derivatives |
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Sub Class | Furanocoumarins |
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Direct Parent | Psoralens |
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Alternative Parents | |
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Substituents | - Psoralen
- Coumaric acid ester
- Cinnamic acid or derivatives
- Coumaric acid or derivatives
- Hydroxycinnamic acid or derivatives
- Cinnamic acid ester
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- Coumaran
- Styrene
- Alkyl aryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Fatty acid ester
- Phenol
- Pyranone
- Fatty acyl
- Pyran
- Monocyclic benzene moiety
- Oxane
- Benzenoid
- Monosaccharide
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Heteroaromatic compound
- Carboxylic acid ester
- Secondary alcohol
- Lactone
- Organoheterocyclic compound
- Ether
- Carboxylic acid derivative
- Polyol
- Oxacycle
- Monocarboxylic acid or derivatives
- Acetal
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | |
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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 | 4.31 mg/L @ 25 °C (est) | The Good Scents Company Information System | 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 IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Apiumoside,1TMS,isomer #1 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5053.3 | Semi standard non polar | 33892256 | Apiumoside,1TMS,isomer #2 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5001.6 | Semi standard non polar | 33892256 | Apiumoside,1TMS,isomer #3 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4997.5 | Semi standard non polar | 33892256 | Apiumoside,1TMS,isomer #4 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4994.1 | Semi standard non polar | 33892256 | Apiumoside,1TMS,isomer #5 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 5054.6 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #1 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4922.5 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #10 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4914.3 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #2 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4913.8 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #3 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4907.5 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #4 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4957.0 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #5 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4906.0 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #6 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4902.2 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #7 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4927.0 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #8 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4904.9 | Semi standard non polar | 33892256 | Apiumoside,2TMS,isomer #9 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4906.2 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #1 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4801.0 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #10 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4797.3 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #2 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4791.8 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #3 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4808.0 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #4 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4800.3 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #5 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4798.8 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #6 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4794.1 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #7 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4806.6 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #8 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4800.4 | Semi standard non polar | 33892256 | Apiumoside,3TMS,isomer #9 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4787.1 | Semi standard non polar | 33892256 | Apiumoside,4TMS,isomer #1 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 4738.2 | Semi standard non polar | 33892256 | Apiumoside,4TMS,isomer #2 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4725.1 | Semi standard non polar | 33892256 | Apiumoside,4TMS,isomer #3 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4696.0 | Semi standard non polar | 33892256 | Apiumoside,4TMS,isomer #4 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4712.5 | Semi standard non polar | 33892256 | Apiumoside,4TMS,isomer #5 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C)=C2O1 | 4690.4 | Semi standard non polar | 33892256 | Apiumoside,1TBDMS,isomer #1 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5274.7 | Semi standard non polar | 33892256 | Apiumoside,1TBDMS,isomer #2 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5246.0 | Semi standard non polar | 33892256 | Apiumoside,1TBDMS,isomer #3 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5236.4 | Semi standard non polar | 33892256 | Apiumoside,1TBDMS,isomer #4 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5235.4 | Semi standard non polar | 33892256 | Apiumoside,1TBDMS,isomer #5 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C(C)(C)C)=C2O1 | 5279.5 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #1 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5408.4 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #10 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C(C)(C)C)=C2O1 | 5382.4 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #2 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5411.7 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #3 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5391.1 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #4 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C(C)(C)C)=C2O1 | 5441.4 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #5 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5363.1 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #6 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5354.0 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #7 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C(C)(C)C)=C2O1 | 5397.4 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #8 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CC2=CC3=C(OC(=O)C=C3)C(O)=C2O1 | 5361.4 | Semi standard non polar | 33892256 | Apiumoside,2TBDMS,isomer #9 | CC(C)(OC1OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CC2=CC3=C(OC(=O)C=C3)C(O[Si](C)(C)C(C)(C)C)=C2O1 | 5371.2 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (Non-derivatized) - 70eV, Positive | splash10-0ldj-3579040000-dc093621e83ef5e88175 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (1 TMS) - 70eV, Positive | splash10-00p3-3149205000-521d687782b1472e796d | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS ("Apiumoside,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Apiumoside GC-MS (TMS_3_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 10V, Positive-QTOF | splash10-01ow-0691130000-825c499753afa319394b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 20V, Positive-QTOF | splash10-03dj-0390000000-2e295879825215fb838c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 40V, Positive-QTOF | splash10-000m-0910000000-008a444bb620e3f8cbe4 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 10V, Negative-QTOF | splash10-03xs-1952040000-1429522eeac7da1c88a5 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 20V, Negative-QTOF | splash10-03di-0960000000-6c806ec8d30a064d6872 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 40V, Negative-QTOF | splash10-03dj-1970000000-8203fa7191a93b55f557 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 10V, Positive-QTOF | splash10-0002-0950030000-1db22fdabae7afb32fb4 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 20V, Positive-QTOF | splash10-0002-0190000000-2abdfe94751dcb396664 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 40V, Positive-QTOF | splash10-016r-0930000000-849be46bf2ffbae36dbb | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 10V, Negative-QTOF | splash10-014i-0300090000-f24dd0c38de682fb9b56 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 20V, Negative-QTOF | splash10-066s-1922110000-59d6f9391c56bec33fc6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Apiumoside 40V, Negative-QTOF | splash10-014i-1910000000-64c27c42a6dbfdf0b6a5 | 2021-09-22 | Wishart Lab | View Spectrum |
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