Leucine; LC-ESI-ITFT; MS2; CE 40.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000688

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 40.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000688
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: 146.943802,167.372635,183.301651,285.296234,299.208252,
Replicated queried mass peaks: 86.096375, 96.703613, 96.773422, 299.221741,
Processing time: 0:00:01.638598

Results for the quried mass "117.400436"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2N1	0.339	1	0	C1,C2,C3,C4,C5,C6,N7,O8,O9
C5O2N1	0.255	11	1	C2,C3,C4,C5,C6,N7,O8,O9
C5O2N1	0.255	11	1	C1,C3,C4,C5,C6,N7,O8,O9