1 | CCMSLIB00006675755 | GNPS-NUTRI-METAB-FEM-NEG | 1_3_dihydrocaffeoylquinic_acid | M-H | 515.12 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)OC(%3DO)C%3DCC2%3DCC(%3DC(C%3DC2)O)O)OC(%3DO)C%3DCC3%3DCC(%3DC(C%3DC3)O)O)O)O&inchi=InChI%3D1S%2FC25H24O12%2Fc26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35%2C11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14%2Fh1-10%2C19-20%2C23%2C26-30%2C33H%2C11-12H2%2C(H%2C34%2C35)%2Fb7-3%2B%2C8-4%2B%2Ft19-%2C20-%2C23-%2C25%2B%2Fm1%2Fs1&width=350&height=250) |
2 | CCMSLIB00006675756 | GNPS-NUTRI-METAB-FEM-NEG | 2_hydroxyphenyl_acetic_acid | M-H | 151.04 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CC(%3DO)O)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-4-2-1-3-6(7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
3 | CCMSLIB00006675757 | GNPS-NUTRI-METAB-FEM-NEG | 2_hydroxyphenyl_acetic_acid | 2M-2H+Na | 325.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CC(%3DO)O)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-4-2-1-3-6(7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
4 | CCMSLIB00006675758 | GNPS-NUTRI-METAB-FEM-NEG | 2_hydroxyphenyl_acetic_acid | M-H | 151.04 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CC(%3DO)O)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-4-2-1-3-6(7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
5 | CCMSLIB00006675759 | GNPS-NUTRI-METAB-FEM-NEG | 2_hydroxyphenyl_acetic_acid | 2M-2H+Na | 325.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CC(%3DO)O)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-4-2-1-3-6(7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
13 | CCMSLIB00006675767 | GNPS-NUTRI-METAB-FEM-NEG | 3_24_dihydroxyphenyl_propionic_acid | M-H | 181.05 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CCC(%3DO)O&inchi=InChI%3D1S%2FC9H10O4%2Fc10-7-3-1-6(8(11)5-7)2-4-9(12)13%2Fh1%2C3%2C5%2C10-11H%2C2%2C4H2%2C(H%2C12%2C13)&width=350&height=250) |
14 | CCMSLIB00006675768 | GNPS-NUTRI-METAB-FEM-NEG | 3_24_dihydroxyphenyl_propionic_acid | M-H | 181.05 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CCC(%3DO)O&inchi=InChI%3D1S%2FC9H10O4%2Fc10-7-3-1-6(8(11)5-7)2-4-9(12)13%2Fh1%2C3%2C5%2C10-11H%2C2%2C4H2%2C(H%2C12%2C13)&width=350&height=250) |
15 | CCMSLIB00006675769 | GNPS-NUTRI-METAB-FEM-NEG | 3_24_dihydroxyphenyl_propionic_acid | 2M-2H+Na | 385.09 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CCC(%3DO)O&inchi=InChI%3D1S%2FC9H10O4%2Fc10-7-3-1-6(8(11)5-7)2-4-9(12)13%2Fh1%2C3%2C5%2C10-11H%2C2%2C4H2%2C(H%2C12%2C13)&width=350&height=250) |
16 | CCMSLIB00006675770 | GNPS-NUTRI-METAB-FEM-NEG | 3_3_MethoxyPhenyl_propionicAcid | M-H | 179.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CCC(%3DO)O&inchi=InChI%3D1S%2FC10H12O3%2Fc1-13-9-4-2-3-8(7-9)5-6-10(11)12%2Fh2-4%2C7H%2C5-6H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
17 | CCMSLIB00006675771 | GNPS-NUTRI-METAB-FEM-NEG | 3_3_MethoxyPhenyl_propionicAcid | M-H | 179.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CCC(%3DO)O&inchi=InChI%3D1S%2FC10H12O3%2Fc1-13-9-4-2-3-8(7-9)5-6-10(11)12%2Fh2-4%2C7H%2C5-6H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
18 | CCMSLIB00006675772 | GNPS-NUTRI-METAB-FEM-NEG | 3_4_DiHydroxy3_MethoxyPhenyl_propionicAcid | M-H | 195.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CCC(%3DO)O)O&inchi=InChI%3D1S%2FC10H12O4%2Fc1-14-9-6-7(2-4-8(9)11)3-5-10(12)13%2Fh2%2C4%2C6%2C11H%2C3%2C5H2%2C1H3%2C(H%2C12%2C13)&width=350&height=250) |
19 | CCMSLIB00006675773 | GNPS-NUTRI-METAB-FEM-NEG | 3_4_DiHydroxy3_MethoxyPhenyl_propionicAcid | M-H | 195.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CCC(%3DO)O)O&inchi=InChI%3D1S%2FC10H12O4%2Fc1-14-9-6-7(2-4-8(9)11)3-5-10(12)13%2Fh2%2C4%2C6%2C11H%2C3%2C5H2%2C1H3%2C(H%2C12%2C13)&width=350&height=250) |
20 | CCMSLIB00006675774 | GNPS-NUTRI-METAB-FEM-NEG | 3_4_hydroxyPhenyl_PropionicAcid | 2M-2H+Na | 353.10 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)O&inchi=InChI%3D1S%2FC9H10O3%2Fc10-8-4-1-7(2-5-8)3-6-9(11)12%2Fh1-2%2C4-5%2C10H%2C3%2C6H2%2C(H%2C11%2C12)&width=350&height=250) |
21 | CCMSLIB00006675775 | GNPS-NUTRI-METAB-FEM-NEG | 3_4_hydroxyPhenyl_PropionicAcid | 2M-2H+Na | 353.10 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)O&inchi=InChI%3D1S%2FC9H10O3%2Fc10-8-4-1-7(2-5-8)3-6-9(11)12%2Fh1-2%2C4-5%2C10H%2C3%2C6H2%2C(H%2C11%2C12)&width=350&height=250) |
22 | CCMSLIB00006675776 | GNPS-NUTRI-METAB-FEM-NEG | 3_4_MethoxyPhenyl_propionicAcid | M-H | 179.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CCC(%3DO)O&inchi=InChI%3D1S%2FC10H12O3%2Fc1-13-9-5-2-8(3-6-9)4-7-10(11)12%2Fh2-3%2C5-6H%2C4%2C7H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
23 | CCMSLIB00006675777 | GNPS-NUTRI-METAB-FEM-NEG | 3_4_MethoxyPhenyl_propionicAcid | M-H | 179.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | CCC(%3DO)O&inchi=InChI%3D1S%2FC10H12O3%2Fc1-13-9-5-2-8(3-6-9)4-7-10(11)12%2Fh2-3%2C5-6H%2C4%2C7H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
24 | CCMSLIB00006675778 | GNPS-NUTRI-METAB-FEM-NEG | 3_Hydroxy_4_MethoxyCinnamicAcid | M-H | 193.05 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | C%3DCC(%3DO)O)O&inchi=InChI%3D1S%2FC10H10O4%2Fc1-14-9-4-2-7(6-8(9)11)3-5-10(12)13%2Fh2-6%2C11H%2C1H3%2C(H%2C12%2C13)%2Fb5-3%2B&width=350&height=250) |
25 | CCMSLIB00006675779 | GNPS-NUTRI-METAB-FEM-NEG | 3_Hydroxy_4_MethoxyCinnamicAcid | M-H | 193.05 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | C%3DCC(%3DO)O)O&inchi=InChI%3D1S%2FC10H10O4%2Fc1-14-9-4-2-7(6-8(9)11)3-5-10(12)13%2Fh2-6%2C11H%2C1H3%2C(H%2C12%2C13)%2Fb5-3%2B&width=350&height=250) |
26 | CCMSLIB00006675780 | GNPS-NUTRI-METAB-FEM-NEG | 3_HydroxyPhenyl_AceticAcid | M-H | 151.04 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CC(%3DO)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-3-1-2-6(4-7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
27 | CCMSLIB00006675781 | GNPS-NUTRI-METAB-FEM-NEG | 3_HydroxyPhenyl_AceticAcid | M-H | 151.04 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CC(%3DO)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-3-1-2-6(4-7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
28 | CCMSLIB00006675782 | GNPS-NUTRI-METAB-FEM-NEG | 3_HydroxyPhenyl_AceticAcid | 2M-2H+Na | 325.07 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CC(%3DO)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-3-1-2-6(4-7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
29 | CCMSLIB00006675783 | GNPS-NUTRI-METAB-FEM-NEG | 3_HydroxyPhenyl_AceticAcid | M-H | 151.04 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CC(%3DO)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-3-1-2-6(4-7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |
30 | CCMSLIB00006675784 | GNPS-NUTRI-METAB-FEM-NEG | 3_HydroxyPhenyl_AceticAcid | 2M-H | 303.09 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-09 09:18:59.0 | O)CC(%3DO)O&inchi=InChI%3D1S%2FC8H8O3%2Fc9-7-3-1-2-6(4-7)5-8(10)11%2Fh1-4%2C9H%2C5H2%2C(H%2C10%2C11)&width=350&height=250) |