Leucine; LC-ESI-ITFT; MS2; CE 35.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000684

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 35.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000684
Synonyms: Leucine
Total mass: 131.1724
Formula: H13 C6 O2 N1

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 137.849823,156.175339,162.071259,174.013535,178.189926,183.997665,217.561249,252.423019,276.126709,299.215179,
Replicated queried mass peaks: 74.810097, 77.449837, 86.096405, 299.226379, 299.236908,
Processing time: 0:00:01.546516

Results for the quried mass "74.803925"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N1	0.264	1	0	C1,C2,C3,C4,C5,N7
C2O2N1	0.262	5	1	O9,C5,C6,N7,O8