Leucine; LC-ESI-ITFT; MS2; CE 15.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000681

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 15.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000681
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: 163.551666,188.179993,212.025726,264.804077,299.217834,
Replicated queried mass peaks: 86.093735, 86.09494, 86.096344, 165.35556,
Processing time: 0:00:00.705849

Results for the quried mass "84.769707"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C3O2N1	0.292	3	0	C3,C5,C6,N7,O8,O9
C5N1	0.377	11	0	C1,C2,C3,C4,C5,N7