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 "112.0758"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7N2 | 0.012 | 0 | 0 | C1,C2,C3,C4,C5,C6,C8,N9,N10 |
| C6O1N1 | 0.073 | 10 | 1 | C1,C2,C4,C5,C7,C8,N10,O11 |
| C5O1N2 | 0.054 | 8 | 0 | C1,C2,C5,C7,C8,N9,N10,O11 |
| C6N2 | 0.097 | 12 | 2 | C1,C2,C3,C5,C6,C8,N9,N10 |