Leucine; LC-ESI-ITFT; MS2; CE 5.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000683

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 5.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000683
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: 158.98085,248.754471,256.379608,272.673615,278.489807,291.58902,299.221344,
Replicated queried mass peaks: 76.144333, 86.096382, 132.101944, 132.106003, 132.10817, 132.109238,
Processing time: 0:00:01.064457

Results for the quried mass "86.094551"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C3O2N1	0.025	4	0	C3,C5,C6,N7,O8,O9
C5N1	0.060	12	0	C1,C2,C3,C4,C5,N7