mz_00001 | 175.01 | |
| UNKNOWN | HMDB0149376 | C19H16O14S | 500.026076369 | M+2H+Na | + | 175.009949 | 0 | NA | NA |
| UNKNOWN | HMDB0149375 | C19H16O14S | 500.026076369 | M+2H+Na | + | 175.009949 | 0 | NA | NA |
| UNKNOWN | HMDB0149391 | C19H16O14S | 500.026076369 | M+2H+Na | + | 175.009949 | 0 | NA | NA |
| UNKNOWN | HMDB0149392 | C19H16O14S | 500.026076369 | M+2H+Na | + | 175.009949 | 0 | NA | NA |
| UNKNOWN | HMDB0149418 | C19H16O14S | 500.026076369 | M+2H+Na | + | 175.009949 | 0 | NA | NA |
mz_00002 | 238.19 | |
| UNKNOWN | HMDB0163116 | C10H18O | 154.1357652 | M+IsoProp+Na+H | + | 238.190875 | 4 | NA | NA |
| UNKNOWN | HMDB0187564 | C10H18O | 154.1357652 | M+IsoProp+Na+H | + | 238.190875 | 4 | NA | NA |
| Alpha-Terpineol | HMDB0004043 | C10H18O | 154.135765198 | M+IsoProp+Na+H | + | 238.190875 | 4 | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1 | 3.17 |
| (S)-alpha-Terpineol | HMDB0036086 | C10H18O | 154.135765198 | M+IsoProp+Na+H | + | 238.190875 | 4 | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1 | 3.17 |
| Eucalyptol | HMDB0004472 | C10H18O | 154.1357652 | M+IsoProp+Na+H | + | 238.190875 | 4 | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 | 3.36 |
mz_00003 | 420.16 | |
| N-Desmethyl-O-hydroxy rosiglitazone | HMDB0060836 | C17H17N3O4S | 359.093976737 | M+IsoProp+H | + | 420.159317 | 2 | InChI=1S/C17H17N3O4S/c21-13-2-1-7-18-15(13)19-8-9-24-12-5-3-11(4-6-12)10-14-16(22)20-17(23)25-14/h1-7,14,21H,8-10H2,(H,18,19)(H,20,22,23) | 2.33 |
| N-Desmethyl-p-hydroxyrosiglitazone | HMDB0060838 | C17H17N3O4S | 359.093976737 | M+IsoProp+H | + | 420.159317 | 2 | InChI=1S/C17H17N3O4S/c21-12-3-6-15(19-10-12)18-7-8-24-13-4-1-11(2-5-13)9-14-16(22)20-17(23)25-14/h1-6,10,14,21H,7-9H2,(H,18,19)(H,20,22,23) | 2.31 |
| UNKNOWN | HMDB0160148 | C13H20O10 | 336.105646844 | M+IsoProp+Na+H | + | 420.160757 | 2 | NA | NA |
| UNKNOWN | HMDB0160149 | C13H20O10 | 336.105646844 | M+IsoProp+Na+H | + | 420.160757 | 2 | NA | NA |
| UNKNOWN | HMDB0165020 | C13H20O10 | 336.105646844 | M+IsoProp+Na+H | + | 420.160757 | 2 | NA | NA |
mz_00004 | 780.32 | |
| UNKNOWN | HMDB0162081 | C17H23NO8 | 369.142366705 | 2M+ACN+H | + | 780.318556 | 2 | NA | NA |
| Niazicinin A | HMDB0031947 | C17H23NO8 | 369.142366717 | 2M+ACN+H | + | 780.318556 | 2 | InChI=1S/C17H23NO8/c1-9-15(25-10(2)19)13(20)14(21)16(24-9)26-12-6-4-11(5-7-12)8-18-17(22)23-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,22) | 0.57 |
| UNKNOWN | HMDB0162078 | C17H23NO8 | 369.142366705 | 2M+ACN+H | + | 780.318556 | 2 | NA | NA |
| UNKNOWN | HMDB0162083 | C17H23NO8 | 369.142366705 | 2M+ACN+H | + | 780.318556 | 2 | NA | NA |
| UNKNOWN | HMDB0150342 | C33H44O16 | 696.262935337 | M+IsoProp+Na+H | + | 780.318045 | 3 | NA | NA |
mz_00005 | 956.25 | |
| PRE | HMDB0041300 | C44H44O24 | 956.222252336 | M+NH4-H2O | + | 956.244952 | 5 | InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-48,51-53,55-58,60-62,65-66H,13-14H2,(H,63,64)/b11-5-,12-6- | -0.41 |
| UNKNOWN | HMDB0168193 | C25H20O9 | 464.110732224 | 2M+2H+3H2O | + | 956.244584 | 6 | NA | NA |
| UNKNOWN | HMDB0168231 | C25H20O9 | 464.110732224 | 2M+2H+3H2O | + | 956.244584 | 6 | NA | NA |
| UNKNOWN | HMDB0138858 | C25H20O9 | 464.110732224 | 2M+2H+3H2O | + | 956.244584 | 6 | NA | NA |
| UNKNOWN | HMDB0168237 | C25H20O9 | 464.110732224 | 2M+2H+3H2O | + | 956.244584 | 6 | NA | NA |
mz_00006 | 1100.45 | |
| NPC | HMDB0060499 | C28H30N4O6 | 518.216534712 | 2M+ACN+Na | + | 1100.448834 | 1 | InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1 | 2.40 |
| UNKNOWN | HMDB0158990 | C24H38O10S | 518.218568598 | 2M+ACN+Na | + | 1100.452902 | 3 | NA | NA |
| UNKNOWN | HMDB0158993 | C24H38O10S | 518.218568598 | 2M+ACN+Na | + | 1100.452902 | 3 | NA | NA |
| UNKNOWN | HMDB0157972 | C24H38O10S | 518.218568598 | 2M+ACN+Na | + | 1100.452902 | 3 | NA | NA |
| UNKNOWN | HMDB0158992 | C24H38O10S | 518.218568598 | 2M+ACN+Na | + | 1100.452902 | 3 | NA | NA |