Processed databases
Atom-Mass pairs
Outputs for Pyrimidinol; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF419503
Synonyms: Pyrimidinol, 2-Isopropyl-6-methyl-pyrimidin-4-ol, 6-Methyl-2-propan-2-yl-1H-pyrimidin-4-one
Total mass: 152.1932
Formula: H12 C8 O1 N2
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 138.0792,
Processing time: 0:00:01.541668
Results for the quried mass "70.0653"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O1N2 | 0.015 | 2 | 1 | C7,C8,N9,N10,O11 |
| C4O1 | 0.024 | 6 | 1 | O11,C4,C3,C7,C6 |
| C4N1 | 0.047 | 8 | 1 | C1,C2,C5,N9,C8 |
| C4N1 | 0.047 | 8 | 1 | C1,C2,C5,N10,C8 |
| C3O1N1 | 0.005 | 4 | 2 | C4,C6,C7,N10,O11 |
| C3O1N1 | 0.005 | 4 | 2 | C4,C6,C7,N9,O11 |
| C3O1N1 | 0.005 | 4 | 2 | C4,C7,C8,N10,O11 |
| C3O1N1 | 0.005 | 4 | 2 | C5,C7,C8,N10,O11 |