Pyrimidinol; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EA270611

Outputs for Pyrimidinol; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA270611
Synonyms: Pyrimidinol, 2-isopropyl-6-methyl-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: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:01.424305

Results for the quried mass "112.0756"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7N2	0.013	0	0	C1,C2,C3,C4,C5,C6,C8,N9,N10
C6O1N1	0.074	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