1 | CCMSLIB00006672953 | GNPS-NUTRI-METAB-FEM-POS | 1_3_dihydrocaffeoylquinic_acid | M+H | 517.13 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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 | CCMSLIB00006672954 | GNPS-NUTRI-METAB-FEM-POS | 1_3_dihydrocaffeoylquinic_acid | M-H2O+H | 499.12 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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) |
3 | CCMSLIB00006672955 | GNPS-NUTRI-METAB-FEM-POS | 1_3_dihydrocaffeoylquinic_acid | M+Na | 539.12 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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) |
4 | CCMSLIB00006672956 | GNPS-NUTRI-METAB-FEM-POS | 1_3_dihydrocaffeoylquinic_acid | M+H | 517.13 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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) |
5 | CCMSLIB00006672957 | GNPS-NUTRI-METAB-FEM-POS | 1_3_dihydrocaffeoylquinic_acid | M-H2O+H | 499.12 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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) |
6 | CCMSLIB00006672958 | GNPS-NUTRI-METAB-FEM-POS | 1_3_dihydrocaffeoylquinic_acid | M+Na | 539.12 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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) |
7 | CCMSLIB00006672959 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | M+H | 201.14 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
8 | CCMSLIB00006672960 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | M+H | 201.14 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
9 | CCMSLIB00006672961 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | M+H | 201.14 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
10 | CCMSLIB00006672962 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | M+H | 201.14 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
11 | CCMSLIB00006672963 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | 2M+K | 439.23 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
12 | CCMSLIB00006672964 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | M+H | 201.14 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
13 | CCMSLIB00006672965 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | 2M+K | 439.23 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
14 | CCMSLIB00006672966 | GNPS-NUTRI-METAB-FEM-POS | 1_4_piperidinyl_1H_indole | M+H | 201.14 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 7-10-15(13)12-5-8-14-9-6-12%2Fh1-4%2C7%2C10%2C12%2C14H%2C5-6%2C8-9H2&width=350&height=250) |
15 | CCMSLIB00006672967 | GNPS-NUTRI-METAB-FEM-POS | 1_5_dihydrocaffeoylquinic_acid | M+H | 517.13 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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)%2Ft19-%2C20-%2C23%2B%2C25-%2Fm1%2Fs1&width=350&height=250) |
16 | CCMSLIB00006672968 | GNPS-NUTRI-METAB-FEM-POS | 1_5_dihydrocaffeoylquinic_acid | M-H2O+H | 499.12 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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)%2Ft19-%2C20-%2C23%2B%2C25-%2Fm1%2Fs1&width=350&height=250) |
17 | CCMSLIB00006672969 | GNPS-NUTRI-METAB-FEM-POS | 1_5_dihydrocaffeoylquinic_acid | M+Na | 539.12 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | 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)%2Ft19-%2C20-%2C23%2B%2C25-%2Fm1%2Fs1&width=350&height=250) |
24 | CCMSLIB00006672976 | GNPS-NUTRI-METAB-FEM-POS | 1_acetylpiperidine_4_carboxylic_acid | M+H | 172.10 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | N1CCC(CC1)C(%3DO)O&inchi=InChI%3D1S%2FC8H13NO3%2Fc1-6(10)9-4-2-7(3-5-9)8(11)12%2Fh7H%2C2-5H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
25 | CCMSLIB00006672977 | GNPS-NUTRI-METAB-FEM-POS | 1_acetylpiperidine_4_carboxylic_acid | 2M+H | 343.19 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | N1CCC(CC1)C(%3DO)O&inchi=InChI%3D1S%2FC8H13NO3%2Fc1-6(10)9-4-2-7(3-5-9)8(11)12%2Fh7H%2C2-5H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
26 | CCMSLIB00006672978 | GNPS-NUTRI-METAB-FEM-POS | 1_acetylpiperidine_4_carboxylic_acid | M+H | 172.10 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | N1CCC(CC1)C(%3DO)O&inchi=InChI%3D1S%2FC8H13NO3%2Fc1-6(10)9-4-2-7(3-5-9)8(11)12%2Fh7H%2C2-5H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
27 | CCMSLIB00006672979 | GNPS-NUTRI-METAB-FEM-POS | 1_acetylpiperidine_4_carboxylic_acid | 2M+H | 343.19 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | N1CCC(CC1)C(%3DO)O&inchi=InChI%3D1S%2FC8H13NO3%2Fc1-6(10)9-4-2-7(3-5-9)8(11)12%2Fh7H%2C2-5H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
28 | CCMSLIB00006672980 | GNPS-NUTRI-METAB-FEM-POS | 1_acetylpiperidine_4_carboxylic_acid | M+H | 172.10 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | N1CCC(CC1)C(%3DO)O&inchi=InChI%3D1S%2FC8H13NO3%2Fc1-6(10)9-4-2-7(3-5-9)8(11)12%2Fh7H%2C2-5H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
29 | CCMSLIB00006672981 | GNPS-NUTRI-METAB-FEM-POS | 1_acetylpiperidine_4_carboxylic_acid | 2M+H | 343.19 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | N1CCC(CC1)C(%3DO)O&inchi=InChI%3D1S%2FC8H13NO3%2Fc1-6(10)9-4-2-7(3-5-9)8(11)12%2Fh7H%2C2-5H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |
30 | CCMSLIB00006672982 | GNPS-NUTRI-METAB-FEM-POS | 1_acetylpiperidine_4_carboxylic_acid | M+H | 172.10 | Orbitrap | Ulaszewska | 1 | mpanitchpakdi | 2021-07-01 10:34:44.0 | N1CCC(CC1)C(%3DO)O&inchi=InChI%3D1S%2FC8H13NO3%2Fc1-6(10)9-4-2-7(3-5-9)8(11)12%2Fh7H%2C2-5H2%2C1H3%2C(H%2C11%2C12)&width=350&height=250) |