Leucine; LC-ESI-ITFT; MS2; CE 20.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000685

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 20.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000685
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: 163.608063,167.20401,220.751297,247.115829,285.918457,299.193665,
Replicated queried mass peaks: 86.094612, 86.096321, 299.211731, 299.224945,
Processing time: 0:00:00.746764

Results for the quried mass "70.797623"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O2N1	0.237	1	0	O9,C5,C6,N7,O8